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/h-b91eff09/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/h-b91eff09/inputs/seq.fa: 1 curr_seq: _GGGGGGAACCGGGGAACCCGGGGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGGGAACCGGGGAACCCGGGGG 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 24 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: 125 n_atoms_counter: 125 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 : 24.000000 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/h-b91eff09/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/h-b91eff09/inputs/seq.fa: 1 curr_seq: _GGGGGGAACCGGGGAACCCGGGGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGGGAACCGGGGAACCCGGGGG 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 24 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: 125 n_atoms_counter: 125 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 : 24.000000 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/h-b91eff09/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/h-b91eff09/inputs/seq.fa: 1 curr_seq: _GGGGGGAACCGGGGAACCCGGGGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGGGAACCGGGGAACCCGGGGG 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 24 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: 125 n_atoms_counter: 125 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 : 24.000000 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/h-b91eff09/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/h-b91eff09/inputs/seq.fa: 1 curr_seq: _GGGGGGAACCGGGGAACCCGGGGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGGGAACCGGGGAACCCGGGGG 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 24 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: 125 n_atoms_counter: 125 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 : 24.000000 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/h-b91eff09/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/h-b91eff09/inputs/seq.fa: 1 curr_seq: _GGGGGGAACCGGGGAACCCGGGGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGGGAACCGGGGAACCCGGGGG 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 24 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: 125 n_atoms_counter: 125 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 : 24.000000 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/h-b91eff09/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/h-b91eff09/inputs/seq.fa: 1 curr_seq: _GGGGGGAACCGGGGAACCCGGGGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGGGAACCGGGGAACCCGGGGG 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 24 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: 125 n_atoms_counter: 125 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 : 24.000000 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/h-b91eff09/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/h-b91eff09/inputs/seq.fa: 1 curr_seq: _GGGGGGAACCGGGGAACCCGGGGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGGGAACCGGGGAACCCGGGGG 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 24 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: 125 n_atoms_counter: 125 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 : 24.000000 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/h-b91eff09/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/h-b91eff09/inputs/seq.fa: 1 curr_seq: _GGGGGGAACCGGGGAACCCGGGGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGGGAACCGGGGAACCCGGGGG 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 24 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: 125 n_atoms_counter: 125 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 : 24.000000 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/h-b91eff09/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/h-b91eff09/inputs/seq.fa: 1 curr_seq: _GGGGGGAACCGGGGAACCCGGGGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGGGAACCGGGGAACCCGGGGG 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 24 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: 125 n_atoms_counter: 125 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 : 24.000000 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/h-b91eff09/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/h-b91eff09/inputs/seq.fa: 1 curr_seq: _GGGGGGAACCGGGGAACCCGGGGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGGGAACCGGGGAACCCGGGGG 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 24 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: 125 n_atoms_counter: 125 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 : 24.000000 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: -89.537468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.537468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.537468 (E_RNA) where: Base-Base interactions energy: -0.278 where: short stacking energy: -0.278 Base-Backbone interact. energy: -0.000 local terms energy: -89.259556 where: bonds (distance) C4'-P energy: -23.318 bonds (distance) P-C4' energy: -22.366 flat angles C4'-P-C4' energy: -17.621 flat angles P-C4'-P energy: -20.157 tors. eta vs tors. theta energy: -5.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -89.537468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.537468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.537468 (E_RNA) where: Base-Base interactions energy: -0.278 where: short stacking energy: -0.278 Base-Backbone interact. energy: -0.000 local terms energy: -89.259556 where: bonds (distance) C4'-P energy: -23.318 bonds (distance) P-C4' energy: -22.366 flat angles C4'-P-C4' energy: -17.621 flat angles P-C4'-P energy: -20.157 tors. eta vs tors. theta energy: -5.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -89.537468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.537468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.537468 (E_RNA) where: Base-Base interactions energy: -0.278 where: short stacking energy: -0.278 Base-Backbone interact. energy: -0.000 local terms energy: -89.259556 where: bonds (distance) C4'-P energy: -23.318 bonds (distance) P-C4' energy: -22.366 flat angles C4'-P-C4' energy: -17.621 flat angles P-C4'-P energy: -20.157 tors. eta vs tors. theta energy: -5.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -89.537468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.537468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.537468 (E_RNA) where: Base-Base interactions energy: -0.278 where: short stacking energy: -0.278 Base-Backbone interact. energy: -0.000 local terms energy: -89.259556 where: bonds (distance) C4'-P energy: -23.318 bonds (distance) P-C4' energy: -22.366 flat angles C4'-P-C4' energy: -17.621 flat angles P-C4'-P energy: -20.157 tors. eta vs tors. theta energy: -5.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -89.537468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.537468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.537468 (E_RNA) where: Base-Base interactions energy: -0.278 where: short stacking energy: -0.278 Base-Backbone interact. energy: -0.000 local terms energy: -89.259556 where: bonds (distance) C4'-P energy: -23.318 bonds (distance) P-C4' energy: -22.366 flat angles C4'-P-C4' energy: -17.621 flat angles P-C4'-P energy: -20.157 tors. eta vs tors. theta energy: -5.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -89.537468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.537468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.537468 (E_RNA) where: Base-Base interactions energy: -0.278 where: short stacking energy: -0.278 Base-Backbone interact. energy: -0.000 local terms energy: -89.259556 where: bonds (distance) C4'-P energy: -23.318 bonds (distance) P-C4' energy: -22.366 flat angles C4'-P-C4' energy: -17.621 flat angles P-C4'-P energy: -20.157 tors. eta vs tors. theta energy: -5.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -89.537468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.537468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.537468 (E_RNA) where: Base-Base interactions energy: -0.278 where: short stacking energy: -0.278 Base-Backbone interact. energy: -0.000 local terms energy: -89.259556 where: bonds (distance) C4'-P energy: -23.318 bonds (distance) P-C4' energy: -22.366 flat angles C4'-P-C4' energy: -17.621 flat angles P-C4'-P energy: -20.157 tors. eta vs tors. theta energy: -5.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -89.537468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.537468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.537468 (E_RNA) where: Base-Base interactions energy: -0.278 where: short stacking energy: -0.278 Base-Backbone interact. energy: -0.000 local terms energy: -89.259556 where: bonds (distance) C4'-P energy: -23.318 bonds (distance) P-C4' energy: -22.366 flat angles C4'-P-C4' energy: -17.621 flat angles P-C4'-P energy: -20.157 tors. eta vs tors. theta energy: -5.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -89.537468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.537468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.537468 (E_RNA) where: Base-Base interactions energy: -0.278 where: short stacking energy: -0.278 Base-Backbone interact. energy: -0.000 local terms energy: -89.259556 where: bonds (distance) C4'-P energy: -23.318 bonds (distance) P-C4' energy: -22.366 flat angles C4'-P-C4' energy: -17.621 flat angles P-C4'-P energy: -20.157 tors. eta vs tors. theta energy: -5.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -89.537468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.537468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.537468 (E_RNA) where: Base-Base interactions energy: -0.278 where: short stacking energy: -0.278 Base-Backbone interact. energy: -0.000 local terms energy: -89.259556 where: bonds (distance) C4'-P energy: -23.318 bonds (distance) P-C4' energy: -22.366 flat angles C4'-P-C4' energy: -17.621 flat angles P-C4'-P energy: -20.157 tors. eta vs tors. theta energy: -5.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -171.162245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.162245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.162245 (E_RNA) where: Base-Base interactions energy: -87.983 where: short stacking energy: -67.770 Base-Backbone interact. energy: -0.001 local terms energy: -83.178099 where: bonds (distance) C4'-P energy: -17.584 bonds (distance) P-C4' energy: -20.367 flat angles C4'-P-C4' energy: -19.981 flat angles P-C4'-P energy: -10.374 tors. eta vs tors. theta energy: -14.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -150.737622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.737622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.737622 (E_RNA) where: Base-Base interactions energy: -72.493 where: short stacking energy: -72.493 Base-Backbone interact. energy: -0.034 local terms energy: -78.210610 where: bonds (distance) C4'-P energy: -18.615 bonds (distance) P-C4' energy: -16.149 flat angles C4'-P-C4' energy: -14.597 flat angles P-C4'-P energy: -13.362 tors. eta vs tors. theta energy: -15.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -150.922248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.922248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.922248 (E_RNA) where: Base-Base interactions energy: -74.521 where: short stacking energy: -74.521 Base-Backbone interact. energy: -0.002 local terms energy: -76.399430 where: bonds (distance) C4'-P energy: -13.458 bonds (distance) P-C4' energy: -19.113 flat angles C4'-P-C4' energy: -19.379 flat angles P-C4'-P energy: -8.446 tors. eta vs tors. theta energy: -16.004 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: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -146.447980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.447980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.447980 (E_RNA) where: Base-Base interactions energy: -70.358 where: short stacking energy: -65.293 Base-Backbone interact. energy: -0.073 local terms energy: -76.017889 where: bonds (distance) C4'-P energy: -13.154 bonds (distance) P-C4' energy: -17.006 flat angles C4'-P-C4' energy: -19.110 flat angles P-C4'-P energy: -12.581 tors. eta vs tors. theta energy: -14.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -129.863604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.863604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.863604 (E_RNA) where: Base-Base interactions energy: -60.089 where: short stacking energy: -60.089 Base-Backbone interact. energy: -0.125 local terms energy: -69.650014 where: bonds (distance) C4'-P energy: -12.849 bonds (distance) P-C4' energy: -17.131 flat angles C4'-P-C4' energy: -16.992 flat angles P-C4'-P energy: -10.106 tors. eta vs tors. theta energy: -12.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -129.867553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.867553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.867553 (E_RNA) where: Base-Base interactions energy: -67.434 where: short stacking energy: -66.011 Base-Backbone interact. energy: 0.057 local terms energy: -62.491298 where: bonds (distance) C4'-P energy: -15.523 bonds (distance) P-C4' energy: -13.603 flat angles C4'-P-C4' energy: -9.296 flat angles P-C4'-P energy: -9.469 tors. eta vs tors. theta energy: -14.601 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: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -113.491070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.491070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.491070 (E_RNA) where: Base-Base interactions energy: -44.726 where: short stacking energy: -44.430 Base-Backbone interact. energy: -0.093 local terms energy: -68.671595 where: bonds (distance) C4'-P energy: -18.685 bonds (distance) P-C4' energy: -17.670 flat angles C4'-P-C4' energy: -16.256 flat angles P-C4'-P energy: -9.186 tors. eta vs tors. theta energy: -6.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -138.864132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.864132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.864132 (E_RNA) where: Base-Base interactions energy: -81.759 where: short stacking energy: -51.945 Base-Backbone interact. energy: 1.131 local terms energy: -58.235643 where: bonds (distance) C4'-P energy: -12.219 bonds (distance) P-C4' energy: -16.628 flat angles C4'-P-C4' energy: -14.038 flat angles P-C4'-P energy: -10.796 tors. eta vs tors. theta energy: -4.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -124.143233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.143233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.143233 (E_RNA) where: Base-Base interactions energy: -64.226 where: short stacking energy: -35.787 Base-Backbone interact. energy: -0.264 local terms energy: -59.652690 where: bonds (distance) C4'-P energy: -14.398 bonds (distance) P-C4' energy: -19.314 flat angles C4'-P-C4' energy: -17.853 flat angles P-C4'-P energy: -4.649 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: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -102.185059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.185059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.185059 (E_RNA) where: Base-Base interactions energy: -53.173 where: short stacking energy: -36.672 Base-Backbone interact. energy: -0.309 local terms energy: -48.703316 where: bonds (distance) C4'-P energy: -11.465 bonds (distance) P-C4' energy: -12.066 flat angles C4'-P-C4' energy: -12.076 flat angles P-C4'-P energy: -9.651 tors. eta vs tors. theta energy: -3.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -177.695573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.695573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.695573 (E_RNA) where: Base-Base interactions energy: -101.328 where: short stacking energy: -82.187 Base-Backbone interact. energy: -0.015 local terms energy: -76.352102 where: bonds (distance) C4'-P energy: -15.987 bonds (distance) P-C4' energy: -15.622 flat angles C4'-P-C4' energy: -16.844 flat angles P-C4'-P energy: -8.721 tors. eta vs tors. theta energy: -19.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -209.916274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.916274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.916274 (E_RNA) where: Base-Base interactions energy: -135.276 where: short stacking energy: -60.058 Base-Backbone interact. energy: -0.196 local terms energy: -74.444231 where: bonds (distance) C4'-P energy: -15.968 bonds (distance) P-C4' energy: -17.724 flat angles C4'-P-C4' energy: -15.809 flat angles P-C4'-P energy: -9.769 tors. eta vs tors. theta energy: -15.175 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: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -174.383852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.383852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.383852 (E_RNA) where: Base-Base interactions energy: -100.853 where: short stacking energy: -63.703 Base-Backbone interact. energy: -0.494 local terms energy: -73.036721 where: bonds (distance) C4'-P energy: -13.152 bonds (distance) P-C4' energy: -19.908 flat angles C4'-P-C4' energy: -15.062 flat angles P-C4'-P energy: -9.287 tors. eta vs tors. theta energy: -15.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -174.469175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.469175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.469175 (E_RNA) where: Base-Base interactions energy: -111.879 where: short stacking energy: -53.667 Base-Backbone interact. energy: -0.122 local terms energy: -62.468475 where: bonds (distance) C4'-P energy: -17.568 bonds (distance) P-C4' energy: -9.591 flat angles C4'-P-C4' energy: -18.866 flat angles P-C4'-P energy: -7.455 tors. eta vs tors. theta energy: -8.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -170.201529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.201529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.201529 (E_RNA) where: Base-Base interactions energy: -105.417 where: short stacking energy: -52.743 Base-Backbone interact. energy: -0.130 local terms energy: -64.655295 where: bonds (distance) C4'-P energy: -16.888 bonds (distance) P-C4' energy: -16.663 flat angles C4'-P-C4' energy: -15.992 flat angles P-C4'-P energy: -9.449 tors. eta vs tors. theta energy: -5.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -127.031334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.031334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.031334 (E_RNA) where: Base-Base interactions energy: -57.414 where: short stacking energy: -50.902 Base-Backbone interact. energy: -0.182 local terms energy: -69.435348 where: bonds (distance) C4'-P energy: -17.440 bonds (distance) P-C4' energy: -17.892 flat angles C4'-P-C4' energy: -15.407 flat angles P-C4'-P energy: -9.410 tors. eta vs tors. theta energy: -9.286 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: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -123.796772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.796772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.796772 (E_RNA) where: Base-Base interactions energy: -72.470 where: short stacking energy: -30.572 Base-Backbone interact. energy: -0.376 local terms energy: -50.951050 where: bonds (distance) C4'-P energy: -14.724 bonds (distance) P-C4' energy: -16.612 flat angles C4'-P-C4' energy: -10.060 flat angles P-C4'-P energy: -10.183 tors. eta vs tors. theta energy: 0.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -134.966784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.966784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.966784 (E_RNA) where: Base-Base interactions energy: -76.524 where: short stacking energy: -34.292 Base-Backbone interact. energy: -0.633 local terms energy: -57.809796 where: bonds (distance) C4'-P energy: -13.072 bonds (distance) P-C4' energy: -14.989 flat angles C4'-P-C4' energy: -16.964 flat angles P-C4'-P energy: -7.884 tors. eta vs tors. theta energy: -4.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -108.126097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.126097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.126097 (E_RNA) where: Base-Base interactions energy: -46.420 where: short stacking energy: -46.420 Base-Backbone interact. energy: -0.278 local terms energy: -61.428326 where: bonds (distance) C4'-P energy: -16.422 bonds (distance) P-C4' energy: -17.734 flat angles C4'-P-C4' energy: -9.536 flat angles P-C4'-P energy: -12.718 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: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -104.911638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.911638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.911638 (E_RNA) where: Base-Base interactions energy: -46.408 where: short stacking energy: -39.499 Base-Backbone interact. energy: -0.226 local terms energy: -58.277429 where: bonds (distance) C4'-P energy: -14.083 bonds (distance) P-C4' energy: -16.995 flat angles C4'-P-C4' energy: -16.584 flat angles P-C4'-P energy: -4.149 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: 2 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -238.997897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.997897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.997897 (E_RNA) where: Base-Base interactions energy: -165.029 where: short stacking energy: -79.939 Base-Backbone interact. energy: -0.304 local terms energy: -73.665269 where: bonds (distance) C4'-P energy: -17.523 bonds (distance) P-C4' energy: -15.915 flat angles C4'-P-C4' energy: -16.108 flat angles P-C4'-P energy: -8.004 tors. eta vs tors. theta energy: -16.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -160.000266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.000266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.000266 (E_RNA) where: Base-Base interactions energy: -78.457 where: short stacking energy: -77.773 Base-Backbone interact. energy: -0.937 local terms energy: -80.606428 where: bonds (distance) C4'-P energy: -17.667 bonds (distance) P-C4' energy: -16.195 flat angles C4'-P-C4' energy: -19.492 flat angles P-C4'-P energy: -11.769 tors. eta vs tors. theta energy: -15.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -179.570134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.570134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.570134 (E_RNA) where: Base-Base interactions energy: -107.149 where: short stacking energy: -52.407 Base-Backbone interact. energy: -2.057 local terms energy: -70.364125 where: bonds (distance) C4'-P energy: -16.699 bonds (distance) P-C4' energy: -16.886 flat angles C4'-P-C4' energy: -15.667 flat angles P-C4'-P energy: -13.033 tors. eta vs tors. theta energy: -8.080 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: 3 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -180.952487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.952487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.952487 (E_RNA) where: Base-Base interactions energy: -115.246 where: short stacking energy: -88.155 Base-Backbone interact. energy: -0.098 local terms energy: -65.609001 where: bonds (distance) C4'-P energy: -17.219 bonds (distance) P-C4' energy: -12.026 flat angles C4'-P-C4' energy: -12.107 flat angles P-C4'-P energy: -5.936 tors. eta vs tors. theta energy: -18.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -192.455643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.455643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.455643 (E_RNA) where: Base-Base interactions energy: -116.454 where: short stacking energy: -57.343 Base-Backbone interact. energy: -1.679 local terms energy: -74.323125 where: bonds (distance) C4'-P energy: -16.665 bonds (distance) P-C4' energy: -19.401 flat angles C4'-P-C4' energy: -16.912 flat angles P-C4'-P energy: -7.972 tors. eta vs tors. theta energy: -13.372 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: 6, replica: 7 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -138.937036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.937036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.937036 (E_RNA) where: Base-Base interactions energy: -77.159 where: short stacking energy: -48.736 Base-Backbone interact. energy: -0.315 local terms energy: -61.463481 where: bonds (distance) C4'-P energy: -16.252 bonds (distance) P-C4' energy: -13.219 flat angles C4'-P-C4' energy: -17.296 flat angles P-C4'-P energy: -12.709 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: 7, replica: 8 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -147.108212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.108212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.108212 (E_RNA) where: Base-Base interactions energy: -88.863 where: short stacking energy: -41.687 Base-Backbone interact. energy: -1.825 local terms energy: -56.419904 where: bonds (distance) C4'-P energy: -14.472 bonds (distance) P-C4' energy: -16.759 flat angles C4'-P-C4' energy: -12.277 flat angles P-C4'-P energy: -9.918 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: 8, replica: 6 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -209.867395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.867395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.867395 (E_RNA) where: Base-Base interactions energy: -135.675 where: short stacking energy: -62.917 Base-Backbone interact. energy: -0.003 local terms energy: -74.189812 where: bonds (distance) C4'-P energy: -15.018 bonds (distance) P-C4' energy: -17.266 flat angles C4'-P-C4' energy: -16.152 flat angles P-C4'-P energy: -8.338 tors. eta vs tors. theta energy: -17.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -102.415102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.415102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.415102 (E_RNA) where: Base-Base interactions energy: -65.246 where: short stacking energy: -34.853 Base-Backbone interact. energy: -0.108 local terms energy: -37.061545 where: bonds (distance) C4'-P energy: -14.896 bonds (distance) P-C4' energy: -7.860 flat angles C4'-P-C4' energy: -11.569 flat angles P-C4'-P energy: -5.872 tors. eta vs tors. theta energy: 3.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -138.604588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.604588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.604588 (E_RNA) where: Base-Base interactions energy: -82.723 where: short stacking energy: -53.590 Base-Backbone interact. energy: -0.837 local terms energy: -55.044643 where: bonds (distance) C4'-P energy: -9.664 bonds (distance) P-C4' energy: -12.065 flat angles C4'-P-C4' energy: -18.240 flat angles P-C4'-P energy: -5.690 tors. eta vs tors. theta energy: -9.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -248.763913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.763913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.763913 (E_RNA) where: Base-Base interactions energy: -165.601 where: short stacking energy: -80.968 Base-Backbone interact. energy: -0.045 local terms energy: -83.118288 where: bonds (distance) C4'-P energy: -16.980 bonds (distance) P-C4' energy: -19.214 flat angles C4'-P-C4' energy: -17.232 flat angles P-C4'-P energy: -13.215 tors. eta vs tors. theta energy: -16.477 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: 5 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -187.824773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.824773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.824773 (E_RNA) where: Base-Base interactions energy: -116.077 where: short stacking energy: -56.732 Base-Backbone interact. energy: -0.431 local terms energy: -71.316708 where: bonds (distance) C4'-P energy: -15.860 bonds (distance) P-C4' energy: -17.901 flat angles C4'-P-C4' energy: -16.151 flat angles P-C4'-P energy: -11.690 tors. eta vs tors. theta energy: -9.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -183.946715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.946715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.946715 (E_RNA) where: Base-Base interactions energy: -113.824 where: short stacking energy: -67.473 Base-Backbone interact. energy: -0.571 local terms energy: -69.551672 where: bonds (distance) C4'-P energy: -13.901 bonds (distance) P-C4' energy: -13.748 flat angles C4'-P-C4' energy: -16.269 flat angles P-C4'-P energy: -12.034 tors. eta vs tors. theta energy: -13.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -206.446252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.446252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.446252 (E_RNA) where: Base-Base interactions energy: -127.631 where: short stacking energy: -60.392 Base-Backbone interact. energy: -1.213 local terms energy: -77.602269 where: bonds (distance) C4'-P energy: -16.989 bonds (distance) P-C4' energy: -17.005 flat angles C4'-P-C4' energy: -15.738 flat angles P-C4'-P energy: -13.438 tors. eta vs tors. theta energy: -14.431 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: 3 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -160.716483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.716483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.716483 (E_RNA) where: Base-Base interactions energy: -90.592 where: short stacking energy: -48.217 Base-Backbone interact. energy: 0.853 local terms energy: -70.977162 where: bonds (distance) C4'-P energy: -15.441 bonds (distance) P-C4' energy: -20.845 flat angles C4'-P-C4' energy: -17.432 flat angles P-C4'-P energy: -10.463 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: 8 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -164.367516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.367516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.367516 (E_RNA) where: Base-Base interactions energy: -95.062 where: short stacking energy: -57.701 Base-Backbone interact. energy: -0.209 local terms energy: -69.097368 where: bonds (distance) C4'-P energy: -14.684 bonds (distance) P-C4' energy: -16.508 flat angles C4'-P-C4' energy: -13.644 flat angles P-C4'-P energy: -12.105 tors. eta vs tors. theta energy: -12.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -135.157754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.157754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.157754 (E_RNA) where: Base-Base interactions energy: -83.112 where: short stacking energy: -52.808 Base-Backbone interact. energy: -0.733 local terms energy: -51.313144 where: bonds (distance) C4'-P energy: -14.131 bonds (distance) P-C4' energy: -10.679 flat angles C4'-P-C4' energy: -14.453 flat angles P-C4'-P energy: -8.970 tors. eta vs tors. theta energy: -3.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -214.352030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.352030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.352030 (E_RNA) where: Base-Base interactions energy: -142.369 where: short stacking energy: -59.857 Base-Backbone interact. energy: -0.005 local terms energy: -71.977546 where: bonds (distance) C4'-P energy: -15.060 bonds (distance) P-C4' energy: -12.594 flat angles C4'-P-C4' energy: -17.661 flat angles P-C4'-P energy: -10.216 tors. eta vs tors. theta energy: -16.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -122.235303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.235303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.235303 (E_RNA) where: Base-Base interactions energy: -75.046 where: short stacking energy: -40.164 Base-Backbone interact. energy: 2.955 local terms energy: -50.144158 where: bonds (distance) C4'-P energy: -12.058 bonds (distance) P-C4' energy: -17.107 flat angles C4'-P-C4' energy: -11.330 flat angles P-C4'-P energy: -6.351 tors. eta vs tors. theta energy: -3.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -90.658015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.658015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.658015 (E_RNA) where: Base-Base interactions energy: -41.364 where: short stacking energy: -30.942 Base-Backbone interact. energy: -0.262 local terms energy: -49.032191 where: bonds (distance) C4'-P energy: -18.160 bonds (distance) P-C4' energy: -19.482 flat angles C4'-P-C4' energy: -8.982 flat angles P-C4'-P energy: -2.814 tors. eta vs tors. theta energy: 0.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -260.544436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.544436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.544436 (E_RNA) where: Base-Base interactions energy: -179.132 where: short stacking energy: -92.469 Base-Backbone interact. energy: 0.615 local terms energy: -82.027381 where: bonds (distance) C4'-P energy: -16.214 bonds (distance) P-C4' energy: -15.630 flat angles C4'-P-C4' energy: -21.544 flat angles P-C4'-P energy: -9.748 tors. eta vs tors. theta energy: -18.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -197.634377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.634377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.634377 (E_RNA) where: Base-Base interactions energy: -120.917 where: short stacking energy: -71.225 Base-Backbone interact. energy: -0.179 local terms energy: -76.538458 where: bonds (distance) C4'-P energy: -15.004 bonds (distance) P-C4' energy: -17.476 flat angles C4'-P-C4' energy: -17.783 flat angles P-C4'-P energy: -9.609 tors. eta vs tors. theta energy: -16.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -225.905741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.905741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.905741 (E_RNA) where: Base-Base interactions energy: -150.052 where: short stacking energy: -78.423 Base-Backbone interact. energy: -0.461 local terms energy: -75.392001 where: bonds (distance) C4'-P energy: -13.466 bonds (distance) P-C4' energy: -17.900 flat angles C4'-P-C4' energy: -14.499 flat angles P-C4'-P energy: -12.144 tors. eta vs tors. theta energy: -17.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -183.036653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.036653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.036653 (E_RNA) where: Base-Base interactions energy: -108.409 where: short stacking energy: -69.547 Base-Backbone interact. energy: -0.568 local terms energy: -74.060161 where: bonds (distance) C4'-P energy: -15.730 bonds (distance) P-C4' energy: -16.592 flat angles C4'-P-C4' energy: -14.110 flat angles P-C4'-P energy: -12.489 tors. eta vs tors. theta energy: -15.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -221.544654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.544654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.544654 (E_RNA) where: Base-Base interactions energy: -149.295 where: short stacking energy: -66.494 Base-Backbone interact. energy: 2.986 local terms energy: -75.234939 where: bonds (distance) C4'-P energy: -15.469 bonds (distance) P-C4' energy: -13.356 flat angles C4'-P-C4' energy: -17.668 flat angles P-C4'-P energy: -14.742 tors. eta vs tors. theta energy: -14.000 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: 3 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -147.379647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.379647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.379647 (E_RNA) where: Base-Base interactions energy: -78.134 where: short stacking energy: -45.289 Base-Backbone interact. energy: -0.586 local terms energy: -68.659731 where: bonds (distance) C4'-P energy: -15.481 bonds (distance) P-C4' energy: -14.668 flat angles C4'-P-C4' energy: -11.662 flat angles P-C4'-P energy: -15.053 tors. eta vs tors. theta energy: -11.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -212.751823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.751823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.751823 (E_RNA) where: Base-Base interactions energy: -143.865 where: short stacking energy: -66.383 Base-Backbone interact. energy: -0.088 local terms energy: -68.798288 where: bonds (distance) C4'-P energy: -10.803 bonds (distance) P-C4' energy: -12.381 flat angles C4'-P-C4' energy: -17.962 flat angles P-C4'-P energy: -13.018 tors. eta vs tors. theta energy: -14.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -115.268744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.268744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.268744 (E_RNA) where: Base-Base interactions energy: -55.401 where: short stacking energy: -53.027 Base-Backbone interact. energy: -0.173 local terms energy: -59.694988 where: bonds (distance) C4'-P energy: -14.699 bonds (distance) P-C4' energy: -11.857 flat angles C4'-P-C4' energy: -17.247 flat angles P-C4'-P energy: -10.126 tors. eta vs tors. theta energy: -5.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -132.087041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.087041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.087041 (E_RNA) where: Base-Base interactions energy: -77.702 where: short stacking energy: -47.260 Base-Backbone interact. energy: -1.098 local terms energy: -53.287178 where: bonds (distance) C4'-P energy: -10.695 bonds (distance) P-C4' energy: -17.917 flat angles C4'-P-C4' energy: -10.950 flat angles P-C4'-P energy: -9.518 tors. eta vs tors. theta energy: -4.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -101.861314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.861314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.861314 (E_RNA) where: Base-Base interactions energy: -50.020 where: short stacking energy: -41.998 Base-Backbone interact. energy: -0.066 local terms energy: -51.775529 where: bonds (distance) C4'-P energy: -8.600 bonds (distance) P-C4' energy: -15.607 flat angles C4'-P-C4' energy: -12.572 flat angles P-C4'-P energy: -12.664 tors. eta vs tors. theta energy: -2.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -257.608855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.608855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.608855 (E_RNA) where: Base-Base interactions energy: -175.421 where: short stacking energy: -82.537 Base-Backbone interact. energy: -0.347 local terms energy: -81.841040 where: bonds (distance) C4'-P energy: -18.028 bonds (distance) P-C4' energy: -18.377 flat angles C4'-P-C4' energy: -19.823 flat angles P-C4'-P energy: -6.968 tors. eta vs tors. theta energy: -18.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -236.349496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.349496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.349496 (E_RNA) where: Base-Base interactions energy: -156.367 where: short stacking energy: -86.099 Base-Backbone interact. energy: -2.003 local terms energy: -77.979541 where: bonds (distance) C4'-P energy: -18.011 bonds (distance) P-C4' energy: -14.104 flat angles C4'-P-C4' energy: -16.006 flat angles P-C4'-P energy: -10.145 tors. eta vs tors. theta energy: -19.713 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: 3, replica: 5 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -197.248113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.248113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.248113 (E_RNA) where: Base-Base interactions energy: -121.889 where: short stacking energy: -60.016 Base-Backbone interact. energy: -0.736 local terms energy: -74.623541 where: bonds (distance) C4'-P energy: -19.200 bonds (distance) P-C4' energy: -19.252 flat angles C4'-P-C4' energy: -15.296 flat angles P-C4'-P energy: -7.497 tors. eta vs tors. theta energy: -13.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -222.936228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.936228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.936228 (E_RNA) where: Base-Base interactions energy: -155.326 where: short stacking energy: -67.493 Base-Backbone interact. energy: 3.775 local terms energy: -71.385793 where: bonds (distance) C4'-P energy: -15.281 bonds (distance) P-C4' energy: -20.144 flat angles C4'-P-C4' energy: -13.939 flat angles P-C4'-P energy: -7.880 tors. eta vs tors. theta energy: -14.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -135.750238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.750238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.750238 (E_RNA) where: Base-Base interactions energy: -68.929 where: short stacking energy: -58.284 Base-Backbone interact. energy: -0.054 local terms energy: -66.766557 where: bonds (distance) C4'-P energy: -15.816 bonds (distance) P-C4' energy: -18.812 flat angles C4'-P-C4' energy: -14.212 flat angles P-C4'-P energy: -6.734 tors. eta vs tors. theta energy: -11.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -223.168706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.168706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.168706 (E_RNA) where: Base-Base interactions energy: -141.901 where: short stacking energy: -65.831 Base-Backbone interact. energy: -0.057 local terms energy: -81.210440 where: bonds (distance) C4'-P energy: -16.383 bonds (distance) P-C4' energy: -15.080 flat angles C4'-P-C4' energy: -20.081 flat angles P-C4'-P energy: -13.080 tors. eta vs tors. theta energy: -16.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -134.696624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.696624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.696624 (E_RNA) where: Base-Base interactions energy: -83.408 where: short stacking energy: -49.842 Base-Backbone interact. energy: -0.353 local terms energy: -50.935934 where: bonds (distance) C4'-P energy: -9.509 bonds (distance) P-C4' energy: -11.159 flat angles C4'-P-C4' energy: -15.990 flat angles P-C4'-P energy: -10.903 tors. eta vs tors. theta energy: -3.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -111.804919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.804919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.804919 (E_RNA) where: Base-Base interactions energy: -52.075 where: short stacking energy: -51.609 Base-Backbone interact. energy: -0.288 local terms energy: -59.442037 where: bonds (distance) C4'-P energy: -17.311 bonds (distance) P-C4' energy: -10.514 flat angles C4'-P-C4' energy: -16.304 flat angles P-C4'-P energy: -10.689 tors. eta vs tors. theta energy: -4.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -123.042509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.042509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.042509 (E_RNA) where: Base-Base interactions energy: -55.589 where: short stacking energy: -45.483 Base-Backbone interact. energy: -0.057 local terms energy: -67.397402 where: bonds (distance) C4'-P energy: -10.771 bonds (distance) P-C4' energy: -17.405 flat angles C4'-P-C4' energy: -14.054 flat angles P-C4'-P energy: -11.982 tors. eta vs tors. theta energy: -13.186 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: 9 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -98.610118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.610118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.610118 (E_RNA) where: Base-Base interactions energy: -51.365 where: short stacking energy: -41.108 Base-Backbone interact. energy: 1.085 local terms energy: -48.329471 where: bonds (distance) C4'-P energy: -9.854 bonds (distance) P-C4' energy: -17.512 flat angles C4'-P-C4' energy: -12.023 flat angles P-C4'-P energy: -6.954 tors. eta vs tors. theta energy: -1.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -240.770675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.770675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.770675 (E_RNA) where: Base-Base interactions energy: -161.162 where: short stacking energy: -79.984 Base-Backbone interact. energy: -0.028 local terms energy: -79.581446 where: bonds (distance) C4'-P energy: -16.108 bonds (distance) P-C4' energy: -14.505 flat angles C4'-P-C4' energy: -18.125 flat angles P-C4'-P energy: -12.390 tors. eta vs tors. theta energy: -18.453 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: 2 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -255.783200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.783200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.783200 (E_RNA) where: Base-Base interactions energy: -176.173 where: short stacking energy: -83.213 Base-Backbone interact. energy: -0.441 local terms energy: -79.169288 where: bonds (distance) C4'-P energy: -16.674 bonds (distance) P-C4' energy: -12.588 flat angles C4'-P-C4' energy: -20.441 flat angles P-C4'-P energy: -11.188 tors. eta vs tors. theta energy: -18.278 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: 8 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -224.903117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.903117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.903117 (E_RNA) where: Base-Base interactions energy: -154.602 where: short stacking energy: -72.050 Base-Backbone interact. energy: 3.977 local terms energy: -74.278217 where: bonds (distance) C4'-P energy: -16.748 bonds (distance) P-C4' energy: -18.686 flat angles C4'-P-C4' energy: -17.196 flat angles P-C4'-P energy: -16.113 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: 4, replica: 5 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -191.245323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.245323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.245323 (E_RNA) where: Base-Base interactions energy: -117.853 where: short stacking energy: -62.093 Base-Backbone interact. energy: -0.941 local terms energy: -72.450931 where: bonds (distance) C4'-P energy: -16.950 bonds (distance) P-C4' energy: -14.147 flat angles C4'-P-C4' energy: -15.071 flat angles P-C4'-P energy: -12.118 tors. eta vs tors. theta energy: -14.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -232.516592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.516592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.516592 (E_RNA) where: Base-Base interactions energy: -158.929 where: short stacking energy: -84.868 Base-Backbone interact. energy: -0.288 local terms energy: -73.299773 where: bonds (distance) C4'-P energy: -13.920 bonds (distance) P-C4' energy: -15.287 flat angles C4'-P-C4' energy: -17.143 flat angles P-C4'-P energy: -9.076 tors. eta vs tors. theta energy: -17.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -124.822097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.822097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.822097 (E_RNA) where: Base-Base interactions energy: -79.714 where: short stacking energy: -29.311 Base-Backbone interact. energy: -0.338 local terms energy: -44.769913 where: bonds (distance) C4'-P energy: -8.195 bonds (distance) P-C4' energy: -20.087 flat angles C4'-P-C4' energy: -9.247 flat angles P-C4'-P energy: -10.702 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: 7, replica: 3 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -121.887320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.887320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.887320 (E_RNA) where: Base-Base interactions energy: -63.604 where: short stacking energy: -57.263 Base-Backbone interact. energy: -0.019 local terms energy: -58.264505 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -20.316 flat angles C4'-P-C4' energy: -13.853 flat angles P-C4'-P energy: -8.482 tors. eta vs tors. theta energy: -7.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -151.803905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.803905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.803905 (E_RNA) where: Base-Base interactions energy: -94.422 where: short stacking energy: -57.555 Base-Backbone interact. energy: 1.034 local terms energy: -58.415292 where: bonds (distance) C4'-P energy: -17.966 bonds (distance) P-C4' energy: -8.718 flat angles C4'-P-C4' energy: -12.604 flat angles P-C4'-P energy: -8.703 tors. eta vs tors. theta energy: -10.424 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: 9 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -109.323258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.323258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.323258 (E_RNA) where: Base-Base interactions energy: -54.876 where: short stacking energy: -54.876 Base-Backbone interact. energy: -0.093 local terms energy: -54.353915 where: bonds (distance) C4'-P energy: -14.082 bonds (distance) P-C4' energy: -14.506 flat angles C4'-P-C4' energy: -12.930 flat angles P-C4'-P energy: -8.340 tors. eta vs tors. theta energy: -4.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -91.154825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.154825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.154825 (E_RNA) where: Base-Base interactions energy: -40.849 where: short stacking energy: -32.817 Base-Backbone interact. energy: -0.326 local terms energy: -49.979243 where: bonds (distance) C4'-P energy: -14.492 bonds (distance) P-C4' energy: -18.099 flat angles C4'-P-C4' energy: -10.608 flat angles P-C4'-P energy: -5.331 tors. eta vs tors. theta energy: -1.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -259.042041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.042041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.042041 (E_RNA) where: Base-Base interactions energy: -175.288 where: short stacking energy: -80.190 Base-Backbone interact. energy: -0.446 local terms energy: -83.308054 where: bonds (distance) C4'-P energy: -18.070 bonds (distance) P-C4' energy: -16.693 flat angles C4'-P-C4' energy: -18.414 flat angles P-C4'-P energy: -11.139 tors. eta vs tors. theta energy: -18.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -270.428609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.428609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.428609 (E_RNA) where: Base-Base interactions energy: -184.468 where: short stacking energy: -85.484 Base-Backbone interact. energy: -0.966 local terms energy: -84.994417 where: bonds (distance) C4'-P energy: -16.827 bonds (distance) P-C4' energy: -18.721 flat angles C4'-P-C4' energy: -16.391 flat angles P-C4'-P energy: -15.235 tors. eta vs tors. theta energy: -17.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -229.368484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.368484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.368484 (E_RNA) where: Base-Base interactions energy: -156.933 where: short stacking energy: -72.451 Base-Backbone interact. energy: 4.164 local terms energy: -76.599330 where: bonds (distance) C4'-P energy: -18.185 bonds (distance) P-C4' energy: -17.723 flat angles C4'-P-C4' energy: -16.477 flat angles P-C4'-P energy: -13.489 tors. eta vs tors. theta energy: -10.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -244.582178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.582178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.582178 (E_RNA) where: Base-Base interactions energy: -160.321 where: short stacking energy: -79.205 Base-Backbone interact. energy: -1.765 local terms energy: -82.496202 where: bonds (distance) C4'-P energy: -19.202 bonds (distance) P-C4' energy: -17.883 flat angles C4'-P-C4' energy: -18.260 flat angles P-C4'-P energy: -7.670 tors. eta vs tors. theta energy: -19.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -193.640424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.640424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.640424 (E_RNA) where: Base-Base interactions energy: -119.459 where: short stacking energy: -62.973 Base-Backbone interact. energy: -0.290 local terms energy: -73.890670 where: bonds (distance) C4'-P energy: -16.509 bonds (distance) P-C4' energy: -18.650 flat angles C4'-P-C4' energy: -14.601 flat angles P-C4'-P energy: -11.436 tors. eta vs tors. theta energy: -12.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -127.140829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.140829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.140829 (E_RNA) where: Base-Base interactions energy: -65.039 where: short stacking energy: -45.877 Base-Backbone interact. energy: -0.308 local terms energy: -61.793555 where: bonds (distance) C4'-P energy: -13.794 bonds (distance) P-C4' energy: -15.544 flat angles C4'-P-C4' energy: -18.888 flat angles P-C4'-P energy: -5.584 tors. eta vs tors. theta energy: -7.984 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: 1 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -122.357586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.357586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.357586 (E_RNA) where: Base-Base interactions energy: -57.210 where: short stacking energy: -56.047 Base-Backbone interact. energy: -0.036 local terms energy: -65.111263 where: bonds (distance) C4'-P energy: -13.928 bonds (distance) P-C4' energy: -18.131 flat angles C4'-P-C4' energy: -15.309 flat angles P-C4'-P energy: -8.452 tors. eta vs tors. theta energy: -9.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -128.449815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.449815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.449815 (E_RNA) where: Base-Base interactions energy: -73.313 where: short stacking energy: -39.584 Base-Backbone interact. energy: -0.141 local terms energy: -54.996042 where: bonds (distance) C4'-P energy: -9.611 bonds (distance) P-C4' energy: -16.584 flat angles C4'-P-C4' energy: -18.012 flat angles P-C4'-P energy: -6.268 tors. eta vs tors. theta energy: -4.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -103.397204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.397204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.397204 (E_RNA) where: Base-Base interactions energy: -50.978 where: short stacking energy: -20.310 Base-Backbone interact. energy: -0.198 local terms energy: -52.221877 where: bonds (distance) C4'-P energy: -15.658 bonds (distance) P-C4' energy: -18.024 flat angles C4'-P-C4' energy: -17.179 flat angles P-C4'-P energy: -6.433 tors. eta vs tors. theta energy: 5.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -99.470632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.470632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.470632 (E_RNA) where: Base-Base interactions energy: -36.422 where: short stacking energy: -36.422 Base-Backbone interact. energy: -0.180 local terms energy: -62.868196 where: bonds (distance) C4'-P energy: -15.915 bonds (distance) P-C4' energy: -17.787 flat angles C4'-P-C4' energy: -17.298 flat angles P-C4'-P energy: -10.178 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: 2 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -273.220086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.220086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.220086 (E_RNA) where: Base-Base interactions energy: -195.030 where: short stacking energy: -80.954 Base-Backbone interact. energy: -0.499 local terms energy: -77.690812 where: bonds (distance) C4'-P energy: -14.335 bonds (distance) P-C4' energy: -16.452 flat angles C4'-P-C4' energy: -19.346 flat angles P-C4'-P energy: -10.159 tors. eta vs tors. theta energy: -17.399 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: 4 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -250.744969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.744969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.744969 (E_RNA) where: Base-Base interactions energy: -167.230 where: short stacking energy: -79.224 Base-Backbone interact. energy: -1.285 local terms energy: -82.229438 where: bonds (distance) C4'-P energy: -15.974 bonds (distance) P-C4' energy: -16.282 flat angles C4'-P-C4' energy: -20.122 flat angles P-C4'-P energy: -14.314 tors. eta vs tors. theta energy: -15.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -233.877677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.877677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.877677 (E_RNA) where: Base-Base interactions energy: -170.420 where: short stacking energy: -75.403 Base-Backbone interact. energy: 4.181 local terms energy: -67.638022 where: bonds (distance) C4'-P energy: -8.933 bonds (distance) P-C4' energy: -13.727 flat angles C4'-P-C4' energy: -16.996 flat angles P-C4'-P energy: -13.079 tors. eta vs tors. theta energy: -14.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -247.888889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.888889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.888889 (E_RNA) where: Base-Base interactions energy: -165.648 where: short stacking energy: -87.381 Base-Backbone interact. energy: -0.288 local terms energy: -81.952544 where: bonds (distance) C4'-P energy: -16.094 bonds (distance) P-C4' energy: -18.917 flat angles C4'-P-C4' energy: -17.069 flat angles P-C4'-P energy: -8.322 tors. eta vs tors. theta energy: -21.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -206.455331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.455331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.455331 (E_RNA) where: Base-Base interactions energy: -132.825 where: short stacking energy: -67.405 Base-Backbone interact. energy: 1.374 local terms energy: -75.003937 where: bonds (distance) C4'-P energy: -18.881 bonds (distance) P-C4' energy: -14.690 flat angles C4'-P-C4' energy: -16.802 flat angles P-C4'-P energy: -8.072 tors. eta vs tors. theta energy: -16.558 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: 3 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -146.707328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.707328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.707328 (E_RNA) where: Base-Base interactions energy: -87.607 where: short stacking energy: -52.836 Base-Backbone interact. energy: 0.284 local terms energy: -59.384315 where: bonds (distance) C4'-P energy: -14.336 bonds (distance) P-C4' energy: -15.198 flat angles C4'-P-C4' energy: -14.119 flat angles P-C4'-P energy: -5.406 tors. eta vs tors. theta energy: -10.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -154.366935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.366935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.366935 (E_RNA) where: Base-Base interactions energy: -96.728 where: short stacking energy: -44.434 Base-Backbone interact. energy: -0.361 local terms energy: -57.277978 where: bonds (distance) C4'-P energy: -14.869 bonds (distance) P-C4' energy: -15.971 flat angles C4'-P-C4' energy: -11.803 flat angles P-C4'-P energy: -7.086 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: 8, replica: 1 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -126.851421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.851421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.851421 (E_RNA) where: Base-Base interactions energy: -69.956 where: short stacking energy: -57.674 Base-Backbone interact. energy: -0.357 local terms energy: -56.538237 where: bonds (distance) C4'-P energy: -14.570 bonds (distance) P-C4' energy: -11.529 flat angles C4'-P-C4' energy: -15.464 flat angles P-C4'-P energy: -6.664 tors. eta vs tors. theta energy: -8.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -107.012348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.012348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.012348 (E_RNA) where: Base-Base interactions energy: -64.261 where: short stacking energy: -36.310 Base-Backbone interact. energy: -0.912 local terms energy: -41.838660 where: bonds (distance) C4'-P energy: -7.268 bonds (distance) P-C4' energy: -13.021 flat angles C4'-P-C4' energy: -11.287 flat angles P-C4'-P energy: -8.496 tors. eta vs tors. theta energy: -1.767 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: 9 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -104.419167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.419167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.419167 (E_RNA) where: Base-Base interactions energy: -53.163 where: short stacking energy: -41.406 Base-Backbone interact. energy: 0.129 local terms energy: -51.385421 where: bonds (distance) C4'-P energy: -13.387 bonds (distance) P-C4' energy: -16.961 flat angles C4'-P-C4' energy: -4.874 flat angles P-C4'-P energy: -9.835 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: 1, replica: 2 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -265.354625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.354625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.354625 (E_RNA) where: Base-Base interactions energy: -189.974 where: short stacking energy: -84.028 Base-Backbone interact. energy: 0.583 local terms energy: -75.963566 where: bonds (distance) C4'-P energy: -16.222 bonds (distance) P-C4' energy: -16.061 flat angles C4'-P-C4' energy: -20.378 flat angles P-C4'-P energy: -8.481 tors. eta vs tors. theta energy: -14.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -237.580495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.580495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.580495 (E_RNA) where: Base-Base interactions energy: -160.802 where: short stacking energy: -72.582 Base-Backbone interact. energy: -0.491 local terms energy: -76.286689 where: bonds (distance) C4'-P energy: -16.245 bonds (distance) P-C4' energy: -17.548 flat angles C4'-P-C4' energy: -19.574 flat angles P-C4'-P energy: -10.844 tors. eta vs tors. theta energy: -12.076 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: 8 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -234.255378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.255378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.255378 (E_RNA) where: Base-Base interactions energy: -159.672 where: short stacking energy: -77.047 Base-Backbone interact. energy: 2.379 local terms energy: -76.962687 where: bonds (distance) C4'-P energy: -14.153 bonds (distance) P-C4' energy: -19.126 flat angles C4'-P-C4' energy: -17.387 flat angles P-C4'-P energy: -12.370 tors. eta vs tors. theta energy: -13.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -240.563282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.563282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.563282 (E_RNA) where: Base-Base interactions energy: -172.306 where: short stacking energy: -77.411 Base-Backbone interact. energy: -0.050 local terms energy: -68.207037 where: bonds (distance) C4'-P energy: -14.337 bonds (distance) P-C4' energy: -19.764 flat angles C4'-P-C4' energy: -15.035 flat angles P-C4'-P energy: -8.162 tors. eta vs tors. theta energy: -10.909 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: 5 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -199.174743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.174743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.174743 (E_RNA) where: Base-Base interactions energy: -122.741 where: short stacking energy: -58.985 Base-Backbone interact. energy: -1.749 local terms energy: -74.684654 where: bonds (distance) C4'-P energy: -16.021 bonds (distance) P-C4' energy: -17.757 flat angles C4'-P-C4' energy: -15.644 flat angles P-C4'-P energy: -11.559 tors. eta vs tors. theta energy: -13.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -167.925558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.925558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.925558 (E_RNA) where: Base-Base interactions energy: -100.241 where: short stacking energy: -52.675 Base-Backbone interact. energy: -0.146 local terms energy: -67.538745 where: bonds (distance) C4'-P energy: -12.230 bonds (distance) P-C4' energy: -14.652 flat angles C4'-P-C4' energy: -15.791 flat angles P-C4'-P energy: -14.113 tors. eta vs tors. theta energy: -10.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -114.054044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.054044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.054044 (E_RNA) where: Base-Base interactions energy: -60.162 where: short stacking energy: -54.061 Base-Backbone interact. energy: 2.796 local terms energy: -56.688476 where: bonds (distance) C4'-P energy: -15.633 bonds (distance) P-C4' energy: -10.151 flat angles C4'-P-C4' energy: -13.701 flat angles P-C4'-P energy: -8.996 tors. eta vs tors. theta energy: -8.207 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: 7 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -147.263791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.263791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.263791 (E_RNA) where: Base-Base interactions energy: -86.385 where: short stacking energy: -53.987 Base-Backbone interact. energy: -0.235 local terms energy: -60.642989 where: bonds (distance) C4'-P energy: -7.064 bonds (distance) P-C4' energy: -17.077 flat angles C4'-P-C4' energy: -16.474 flat angles P-C4'-P energy: -5.426 tors. eta vs tors. theta energy: -14.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -122.201121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.201121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.201121 (E_RNA) where: Base-Base interactions energy: -54.381 where: short stacking energy: -53.097 Base-Backbone interact. energy: 0.753 local terms energy: -68.573214 where: bonds (distance) C4'-P energy: -15.207 bonds (distance) P-C4' energy: -13.512 flat angles C4'-P-C4' energy: -12.582 flat angles P-C4'-P energy: -14.035 tors. eta vs tors. theta energy: -13.237 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: 11 Temperature: 1.350000 Total energy: -102.410592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.410592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.410592 (E_RNA) where: Base-Base interactions energy: -46.654 where: short stacking energy: -35.115 Base-Backbone interact. energy: -0.234 local terms energy: -55.522049 where: bonds (distance) C4'-P energy: -15.180 bonds (distance) P-C4' energy: -14.695 flat angles C4'-P-C4' energy: -12.832 flat angles P-C4'-P energy: -12.131 tors. eta vs tors. theta energy: -0.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -262.520693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.520693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.520693 (E_RNA) where: Base-Base interactions energy: -180.864 where: short stacking energy: -80.493 Base-Backbone interact. energy: -0.213 local terms energy: -81.443104 where: bonds (distance) C4'-P energy: -17.284 bonds (distance) P-C4' energy: -14.509 flat angles C4'-P-C4' energy: -19.874 flat angles P-C4'-P energy: -13.130 tors. eta vs tors. theta energy: -16.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -254.343412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.343412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.343412 (E_RNA) where: Base-Base interactions energy: -179.288 where: short stacking energy: -89.095 Base-Backbone interact. energy: -0.081 local terms energy: -74.975102 where: bonds (distance) C4'-P energy: -11.914 bonds (distance) P-C4' energy: -19.031 flat angles C4'-P-C4' energy: -18.031 flat angles P-C4'-P energy: -9.800 tors. eta vs tors. theta energy: -16.199 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: 6 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -250.754820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.754820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.754820 (E_RNA) where: Base-Base interactions energy: -180.664 where: short stacking energy: -88.741 Base-Backbone interact. energy: -0.443 local terms energy: -69.647152 where: bonds (distance) C4'-P energy: -12.451 bonds (distance) P-C4' energy: -13.297 flat angles C4'-P-C4' energy: -16.700 flat angles P-C4'-P energy: -8.597 tors. eta vs tors. theta energy: -18.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -234.436863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.436863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.436863 (E_RNA) where: Base-Base interactions energy: -159.408 where: short stacking energy: -74.756 Base-Backbone interact. energy: 3.740 local terms energy: -78.769268 where: bonds (distance) C4'-P energy: -13.962 bonds (distance) P-C4' energy: -19.006 flat angles C4'-P-C4' energy: -19.250 flat angles P-C4'-P energy: -13.130 tors. eta vs tors. theta energy: -13.421 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: 5 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -192.789647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.789647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.789647 (E_RNA) where: Base-Base interactions energy: -130.231 where: short stacking energy: -66.532 Base-Backbone interact. energy: -0.836 local terms energy: -61.722302 where: bonds (distance) C4'-P energy: -13.932 bonds (distance) P-C4' energy: -15.118 flat angles C4'-P-C4' energy: -15.069 flat angles P-C4'-P energy: -6.193 tors. eta vs tors. theta energy: -11.411 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: 3 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -171.890938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.890938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.890938 (E_RNA) where: Base-Base interactions energy: -107.762 where: short stacking energy: -56.109 Base-Backbone interact. energy: -0.245 local terms energy: -63.884404 where: bonds (distance) C4'-P energy: -14.785 bonds (distance) P-C4' energy: -18.479 flat angles C4'-P-C4' energy: -17.950 flat angles P-C4'-P energy: -3.380 tors. eta vs tors. theta energy: -9.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -147.565677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.565677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.565677 (E_RNA) where: Base-Base interactions energy: -89.560 where: short stacking energy: -60.531 Base-Backbone interact. energy: 2.541 local terms energy: -60.547068 where: bonds (distance) C4'-P energy: -9.207 bonds (distance) P-C4' energy: -19.785 flat angles C4'-P-C4' energy: -13.707 flat angles P-C4'-P energy: -9.306 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: 8, replica: 10 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -107.685672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.685672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.685672 (E_RNA) where: Base-Base interactions energy: -47.189 where: short stacking energy: -33.024 Base-Backbone interact. energy: -0.222 local terms energy: -60.273990 where: bonds (distance) C4'-P energy: -16.654 bonds (distance) P-C4' energy: -18.369 flat angles C4'-P-C4' energy: -12.755 flat angles P-C4'-P energy: -11.217 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: 9, replica: 9 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -106.463923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.463923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.463923 (E_RNA) where: Base-Base interactions energy: -48.899 where: short stacking energy: -27.742 Base-Backbone interact. energy: -0.421 local terms energy: -57.143585 where: bonds (distance) C4'-P energy: -13.619 bonds (distance) P-C4' energy: -18.196 flat angles C4'-P-C4' energy: -10.359 flat angles P-C4'-P energy: -13.212 tors. eta vs tors. theta energy: -1.757 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: 1 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -106.070796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.070796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.070796 (E_RNA) where: Base-Base interactions energy: -36.754 where: short stacking energy: -34.665 Base-Backbone interact. energy: -0.058 local terms energy: -69.258876 where: bonds (distance) C4'-P energy: -13.509 bonds (distance) P-C4' energy: -16.164 flat angles C4'-P-C4' energy: -14.628 flat angles P-C4'-P energy: -11.718 tors. eta vs tors. theta energy: -13.241 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: 2 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -262.935379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.935379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.935379 (E_RNA) where: Base-Base interactions energy: -179.618 where: short stacking energy: -85.204 Base-Backbone interact. energy: 0.128 local terms energy: -83.445598 where: bonds (distance) C4'-P energy: -15.403 bonds (distance) P-C4' energy: -17.555 flat angles C4'-P-C4' energy: -19.612 flat angles P-C4'-P energy: -9.320 tors. eta vs tors. theta energy: -21.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -258.207019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.207019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.207019 (E_RNA) where: Base-Base interactions energy: -183.042 where: short stacking energy: -87.513 Base-Backbone interact. energy: -0.006 local terms energy: -75.159759 where: bonds (distance) C4'-P energy: -15.114 bonds (distance) P-C4' energy: -14.866 flat angles C4'-P-C4' energy: -15.019 flat angles P-C4'-P energy: -10.775 tors. eta vs tors. theta energy: -19.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -236.929982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.929982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.929982 (E_RNA) where: Base-Base interactions energy: -158.165 where: short stacking energy: -85.640 Base-Backbone interact. energy: -0.343 local terms energy: -78.421707 where: bonds (distance) C4'-P energy: -14.678 bonds (distance) P-C4' energy: -14.766 flat angles C4'-P-C4' energy: -17.893 flat angles P-C4'-P energy: -13.299 tors. eta vs tors. theta energy: -17.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -230.467266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.467266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.467266 (E_RNA) where: Base-Base interactions energy: -164.668 where: short stacking energy: -73.812 Base-Backbone interact. energy: 2.491 local terms energy: -68.290195 where: bonds (distance) C4'-P energy: -14.744 bonds (distance) P-C4' energy: -16.523 flat angles C4'-P-C4' energy: -15.703 flat angles P-C4'-P energy: -12.329 tors. eta vs tors. theta energy: -8.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -207.393668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.393668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.393668 (E_RNA) where: Base-Base interactions energy: -136.137 where: short stacking energy: -65.048 Base-Backbone interact. energy: -1.322 local terms energy: -69.934003 where: bonds (distance) C4'-P energy: -13.569 bonds (distance) P-C4' energy: -16.412 flat angles C4'-P-C4' energy: -18.290 flat angles P-C4'-P energy: -9.230 tors. eta vs tors. theta energy: -12.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -166.304799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.304799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.304799 (E_RNA) where: Base-Base interactions energy: -104.083 where: short stacking energy: -36.218 Base-Backbone interact. energy: -0.256 local terms energy: -61.966139 where: bonds (distance) C4'-P energy: -17.870 bonds (distance) P-C4' energy: -17.125 flat angles C4'-P-C4' energy: -15.951 flat angles P-C4'-P energy: -7.295 tors. eta vs tors. theta energy: -3.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -158.090143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.090143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.090143 (E_RNA) where: Base-Base interactions energy: -100.268 where: short stacking energy: -40.185 Base-Backbone interact. energy: 0.947 local terms energy: -58.769281 where: bonds (distance) C4'-P energy: -15.630 bonds (distance) P-C4' energy: -13.881 flat angles C4'-P-C4' energy: -16.633 flat angles P-C4'-P energy: -8.305 tors. eta vs tors. theta energy: -4.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -115.889984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.889984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.889984 (E_RNA) where: Base-Base interactions energy: -65.224 where: short stacking energy: -39.051 Base-Backbone interact. energy: -0.493 local terms energy: -50.172798 where: bonds (distance) C4'-P energy: -18.135 bonds (distance) P-C4' energy: -10.684 flat angles C4'-P-C4' energy: -11.118 flat angles P-C4'-P energy: -5.311 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: 9, replica: 10 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -107.951256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.951256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.951256 (E_RNA) where: Base-Base interactions energy: -52.209 where: short stacking energy: -41.433 Base-Backbone interact. energy: -1.495 local terms energy: -54.247493 where: bonds (distance) C4'-P energy: -8.567 bonds (distance) P-C4' energy: -15.469 flat angles C4'-P-C4' energy: -13.530 flat angles P-C4'-P energy: -8.743 tors. eta vs tors. theta energy: -7.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -105.062461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.062461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.062461 (E_RNA) where: Base-Base interactions energy: -52.752 where: short stacking energy: -48.631 Base-Backbone interact. energy: 0.218 local terms energy: -52.528794 where: bonds (distance) C4'-P energy: -12.160 bonds (distance) P-C4' energy: -10.532 flat angles C4'-P-C4' energy: -14.479 flat angles P-C4'-P energy: -4.208 tors. eta vs tors. theta energy: -11.149 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: 6 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -263.123473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.123473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.123473 (E_RNA) where: Base-Base interactions energy: -179.333 where: short stacking energy: -97.467 Base-Backbone interact. energy: -0.271 local terms energy: -83.519329 where: bonds (distance) C4'-P energy: -16.546 bonds (distance) P-C4' energy: -18.031 flat angles C4'-P-C4' energy: -20.008 flat angles P-C4'-P energy: -8.881 tors. eta vs tors. theta energy: -20.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -257.744068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.744068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.744068 (E_RNA) where: Base-Base interactions energy: -176.418 where: short stacking energy: -78.154 Base-Backbone interact. energy: -0.303 local terms energy: -81.023373 where: bonds (distance) C4'-P energy: -16.289 bonds (distance) P-C4' energy: -16.135 flat angles C4'-P-C4' energy: -19.799 flat angles P-C4'-P energy: -9.560 tors. eta vs tors. theta energy: -19.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -233.364198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.364198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.364198 (E_RNA) where: Base-Base interactions energy: -157.120 where: short stacking energy: -75.580 Base-Backbone interact. energy: -0.638 local terms energy: -75.606412 where: bonds (distance) C4'-P energy: -13.891 bonds (distance) P-C4' energy: -19.785 flat angles C4'-P-C4' energy: -17.853 flat angles P-C4'-P energy: -8.156 tors. eta vs tors. theta energy: -15.922 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: 8 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -234.010927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.010927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.010927 (E_RNA) where: Base-Base interactions energy: -157.101 where: short stacking energy: -75.552 Base-Backbone interact. energy: -0.945 local terms energy: -75.964381 where: bonds (distance) C4'-P energy: -14.580 bonds (distance) P-C4' energy: -17.457 flat angles C4'-P-C4' energy: -17.557 flat angles P-C4'-P energy: -11.865 tors. eta vs tors. theta energy: -14.506 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: 5 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -202.805496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.805496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.805496 (E_RNA) where: Base-Base interactions energy: -137.720 where: short stacking energy: -69.115 Base-Backbone interact. energy: 0.441 local terms energy: -65.526561 where: bonds (distance) C4'-P energy: -15.146 bonds (distance) P-C4' energy: -13.483 flat angles C4'-P-C4' energy: -16.524 flat angles P-C4'-P energy: -3.238 tors. eta vs tors. theta energy: -17.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -133.223518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.223518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.223518 (E_RNA) where: Base-Base interactions energy: -78.415 where: short stacking energy: -62.990 Base-Backbone interact. energy: -0.200 local terms energy: -54.608572 where: bonds (distance) C4'-P energy: -10.447 bonds (distance) P-C4' energy: -12.782 flat angles C4'-P-C4' energy: -13.178 flat angles P-C4'-P energy: -8.280 tors. eta vs tors. theta energy: -9.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -132.915758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.915758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.915758 (E_RNA) where: Base-Base interactions energy: -80.687 where: short stacking energy: -51.869 Base-Backbone interact. energy: -0.171 local terms energy: -52.057404 where: bonds (distance) C4'-P energy: -12.128 bonds (distance) P-C4' energy: -15.689 flat angles C4'-P-C4' energy: -10.198 flat angles P-C4'-P energy: -9.597 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: 8, replica: 3 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -165.852099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.852099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.852099 (E_RNA) where: Base-Base interactions energy: -104.782 where: short stacking energy: -49.483 Base-Backbone interact. energy: -0.136 local terms energy: -60.934333 where: bonds (distance) C4'-P energy: -14.538 bonds (distance) P-C4' energy: -17.216 flat angles C4'-P-C4' energy: -16.680 flat angles P-C4'-P energy: -4.904 tors. eta vs tors. theta energy: -7.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -107.495049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.495049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.495049 (E_RNA) where: Base-Base interactions energy: -51.849 where: short stacking energy: -36.075 Base-Backbone interact. energy: 0.048 local terms energy: -55.693923 where: bonds (distance) C4'-P energy: -9.816 bonds (distance) P-C4' energy: -14.387 flat angles C4'-P-C4' energy: -17.575 flat angles P-C4'-P energy: -8.402 tors. eta vs tors. theta energy: -5.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -106.293176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.293176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.293176 (E_RNA) where: Base-Base interactions energy: -44.232 where: short stacking energy: -44.232 Base-Backbone interact. energy: -0.020 local terms energy: -62.041699 where: bonds (distance) C4'-P energy: -11.658 bonds (distance) P-C4' energy: -17.416 flat angles C4'-P-C4' energy: -14.686 flat angles P-C4'-P energy: -11.428 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: 1, replica: 6 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -254.458146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.458146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.458146 (E_RNA) where: Base-Base interactions energy: -171.748 where: short stacking energy: -86.750 Base-Backbone interact. energy: -0.094 local terms energy: -82.615528 where: bonds (distance) C4'-P energy: -17.498 bonds (distance) P-C4' energy: -14.909 flat angles C4'-P-C4' energy: -18.972 flat angles P-C4'-P energy: -11.450 tors. eta vs tors. theta energy: -19.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -258.835470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.835470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.835470 (E_RNA) where: Base-Base interactions energy: -188.963 where: short stacking energy: -79.291 Base-Backbone interact. energy: -0.157 local terms energy: -69.715246 where: bonds (distance) C4'-P energy: -11.726 bonds (distance) P-C4' energy: -18.837 flat angles C4'-P-C4' energy: -14.873 flat angles P-C4'-P energy: -5.612 tors. eta vs tors. theta energy: -18.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -232.561663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.561663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.561663 (E_RNA) where: Base-Base interactions energy: -153.552 where: short stacking energy: -79.614 Base-Backbone interact. energy: -0.832 local terms energy: -78.177804 where: bonds (distance) C4'-P energy: -16.566 bonds (distance) P-C4' energy: -14.384 flat angles C4'-P-C4' energy: -19.349 flat angles P-C4'-P energy: -12.697 tors. eta vs tors. theta energy: -15.182 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: 8 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -239.357050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.357050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.357050 (E_RNA) where: Base-Base interactions energy: -159.691 where: short stacking energy: -74.969 Base-Backbone interact. energy: -1.683 local terms energy: -77.983378 where: bonds (distance) C4'-P energy: -15.498 bonds (distance) P-C4' energy: -18.266 flat angles C4'-P-C4' energy: -18.148 flat angles P-C4'-P energy: -11.608 tors. eta vs tors. theta energy: -14.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -214.680464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.680464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.680464 (E_RNA) where: Base-Base interactions energy: -145.550 where: short stacking energy: -73.814 Base-Backbone interact. energy: 0.219 local terms energy: -69.349456 where: bonds (distance) C4'-P energy: -12.538 bonds (distance) P-C4' energy: -17.058 flat angles C4'-P-C4' energy: -14.999 flat angles P-C4'-P energy: -10.018 tors. eta vs tors. theta energy: -14.736 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: 7 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -142.996638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.996638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.996638 (E_RNA) where: Base-Base interactions energy: -67.448 where: short stacking energy: -58.157 Base-Backbone interact. energy: -0.107 local terms energy: -75.442078 where: bonds (distance) C4'-P energy: -16.810 bonds (distance) P-C4' energy: -16.576 flat angles C4'-P-C4' energy: -15.650 flat angles P-C4'-P energy: -13.466 tors. eta vs tors. theta energy: -12.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -123.668443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.668443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.668443 (E_RNA) where: Base-Base interactions energy: -65.594 where: short stacking energy: -50.128 Base-Backbone interact. energy: -0.365 local terms energy: -57.709979 where: bonds (distance) C4'-P energy: -8.843 bonds (distance) P-C4' energy: -18.396 flat angles C4'-P-C4' energy: -13.590 flat angles P-C4'-P energy: -9.255 tors. eta vs tors. theta energy: -7.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -149.109573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.109573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.109573 (E_RNA) where: Base-Base interactions energy: -87.886 where: short stacking energy: -52.411 Base-Backbone interact. energy: 1.537 local terms energy: -62.760655 where: bonds (distance) C4'-P energy: -15.673 bonds (distance) P-C4' energy: -13.585 flat angles C4'-P-C4' energy: -15.089 flat angles P-C4'-P energy: -8.706 tors. eta vs tors. theta energy: -9.707 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: 10 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -125.355822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.355822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.355822 (E_RNA) where: Base-Base interactions energy: -65.435 where: short stacking energy: -41.864 Base-Backbone interact. energy: 3.940 local terms energy: -63.861038 where: bonds (distance) C4'-P energy: -15.445 bonds (distance) P-C4' energy: -13.630 flat angles C4'-P-C4' energy: -18.989 flat angles P-C4'-P energy: -10.583 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: 10, replica: 1 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -92.365756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.365756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.365756 (E_RNA) where: Base-Base interactions energy: -33.370 where: short stacking energy: -32.375 Base-Backbone interact. energy: -0.065 local terms energy: -58.930299 where: bonds (distance) C4'-P energy: -11.297 bonds (distance) P-C4' energy: -19.659 flat angles C4'-P-C4' energy: -12.704 flat angles P-C4'-P energy: -10.500 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: 1, replica: 2 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -262.168280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.168280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.168280 (E_RNA) where: Base-Base interactions energy: -179.213 where: short stacking energy: -86.540 Base-Backbone interact. energy: -0.814 local terms energy: -82.141752 where: bonds (distance) C4'-P energy: -17.390 bonds (distance) P-C4' energy: -19.023 flat angles C4'-P-C4' energy: -18.739 flat angles P-C4'-P energy: -11.102 tors. eta vs tors. theta energy: -15.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -248.215407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.215407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.215407 (E_RNA) where: Base-Base interactions energy: -167.710 where: short stacking energy: -84.643 Base-Backbone interact. energy: -0.365 local terms energy: -80.140352 where: bonds (distance) C4'-P energy: -17.818 bonds (distance) P-C4' energy: -16.716 flat angles C4'-P-C4' energy: -19.423 flat angles P-C4'-P energy: -9.615 tors. eta vs tors. theta energy: -16.568 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: 4 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -228.402207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.402207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.402207 (E_RNA) where: Base-Base interactions energy: -148.097 where: short stacking energy: -81.700 Base-Backbone interact. energy: -1.756 local terms energy: -78.549247 where: bonds (distance) C4'-P energy: -15.038 bonds (distance) P-C4' energy: -16.193 flat angles C4'-P-C4' energy: -18.542 flat angles P-C4'-P energy: -13.557 tors. eta vs tors. theta energy: -15.219 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: 8 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -227.856888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.856888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.856888 (E_RNA) where: Base-Base interactions energy: -165.300 where: short stacking energy: -81.989 Base-Backbone interact. energy: 1.063 local terms energy: -63.620121 where: bonds (distance) C4'-P energy: -18.461 bonds (distance) P-C4' energy: -13.487 flat angles C4'-P-C4' energy: -15.093 flat angles P-C4'-P energy: -5.087 tors. eta vs tors. theta energy: -11.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -193.745006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.745006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.745006 (E_RNA) where: Base-Base interactions energy: -128.103 where: short stacking energy: -61.178 Base-Backbone interact. energy: -0.873 local terms energy: -64.768739 where: bonds (distance) C4'-P energy: -14.786 bonds (distance) P-C4' energy: -18.034 flat angles C4'-P-C4' energy: -15.365 flat angles P-C4'-P energy: -6.544 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: 6, replica: 7 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -152.184398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.184398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.184398 (E_RNA) where: Base-Base interactions energy: -85.451 where: short stacking energy: -60.904 Base-Backbone interact. energy: -0.217 local terms energy: -66.516021 where: bonds (distance) C4'-P energy: -16.231 bonds (distance) P-C4' energy: -16.057 flat angles C4'-P-C4' energy: -18.932 flat angles P-C4'-P energy: -6.643 tors. eta vs tors. theta energy: -8.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -165.561430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.561430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.561430 (E_RNA) where: Base-Base interactions energy: -99.243 where: short stacking energy: -61.684 Base-Backbone interact. energy: 1.644 local terms energy: -67.962396 where: bonds (distance) C4'-P energy: -14.707 bonds (distance) P-C4' energy: -14.148 flat angles C4'-P-C4' energy: -17.881 flat angles P-C4'-P energy: -12.537 tors. eta vs tors. theta energy: -8.690 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: 16 Temperature: 1.250000 Total energy: -106.514431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.514431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.514431 (E_RNA) where: Base-Base interactions energy: -42.087 where: short stacking energy: -22.842 Base-Backbone interact. energy: -0.781 local terms energy: -63.646633 where: bonds (distance) C4'-P energy: -13.479 bonds (distance) P-C4' energy: -15.228 flat angles C4'-P-C4' energy: -18.309 flat angles P-C4'-P energy: -13.333 tors. eta vs tors. theta energy: -3.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -121.586534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.586534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.586534 (E_RNA) where: Base-Base interactions energy: -58.348 where: short stacking energy: -47.512 Base-Backbone interact. energy: -0.504 local terms energy: -62.734984 where: bonds (distance) C4'-P energy: -12.916 bonds (distance) P-C4' energy: -16.875 flat angles C4'-P-C4' energy: -17.562 flat angles P-C4'-P energy: -6.416 tors. eta vs tors. theta energy: -8.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -115.001029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.001029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.001029 (E_RNA) where: Base-Base interactions energy: -65.371 where: short stacking energy: -38.035 Base-Backbone interact. energy: 0.727 local terms energy: -50.357238 where: bonds (distance) C4'-P energy: -10.510 bonds (distance) P-C4' energy: -17.373 flat angles C4'-P-C4' energy: -10.986 flat angles P-C4'-P energy: -11.403 tors. eta vs tors. theta energy: -0.086 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: 2 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -270.324525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.324525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.324525 (E_RNA) where: Base-Base interactions energy: -185.357 where: short stacking energy: -89.183 Base-Backbone interact. energy: -0.752 local terms energy: -84.216109 where: bonds (distance) C4'-P energy: -13.278 bonds (distance) P-C4' energy: -18.148 flat angles C4'-P-C4' energy: -18.664 flat angles P-C4'-P energy: -11.851 tors. eta vs tors. theta energy: -22.275 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: 6 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -254.832709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.832709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.832709 (E_RNA) where: Base-Base interactions energy: -171.222 where: short stacking energy: -84.467 Base-Backbone interact. energy: -0.074 local terms energy: -83.536880 where: bonds (distance) C4'-P energy: -18.799 bonds (distance) P-C4' energy: -19.749 flat angles C4'-P-C4' energy: -15.010 flat angles P-C4'-P energy: -11.319 tors. eta vs tors. theta energy: -18.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -240.163187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.163187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.163187 (E_RNA) where: Base-Base interactions energy: -158.813 where: short stacking energy: -88.206 Base-Backbone interact. energy: -0.002 local terms energy: -81.348700 where: bonds (distance) C4'-P energy: -18.380 bonds (distance) P-C4' energy: -16.047 flat angles C4'-P-C4' energy: -18.246 flat angles P-C4'-P energy: -8.848 tors. eta vs tors. theta energy: -19.828 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: 8 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -240.737976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.737976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.737976 (E_RNA) where: Base-Base interactions energy: -167.772 where: short stacking energy: -73.391 Base-Backbone interact. energy: 0.947 local terms energy: -73.913222 where: bonds (distance) C4'-P energy: -14.967 bonds (distance) P-C4' energy: -17.127 flat angles C4'-P-C4' energy: -17.950 flat angles P-C4'-P energy: -10.556 tors. eta vs tors. theta energy: -13.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -188.357410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.357410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.357410 (E_RNA) where: Base-Base interactions energy: -126.229 where: short stacking energy: -61.338 Base-Backbone interact. energy: -0.223 local terms energy: -61.905629 where: bonds (distance) C4'-P energy: -16.868 bonds (distance) P-C4' energy: -9.080 flat angles C4'-P-C4' energy: -15.325 flat angles P-C4'-P energy: -11.325 tors. eta vs tors. theta energy: -9.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -168.349772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.349772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.349772 (E_RNA) where: Base-Base interactions energy: -96.565 where: short stacking energy: -61.628 Base-Backbone interact. energy: -1.023 local terms energy: -70.762018 where: bonds (distance) C4'-P energy: -17.354 bonds (distance) P-C4' energy: -13.302 flat angles C4'-P-C4' energy: -14.435 flat angles P-C4'-P energy: -9.706 tors. eta vs tors. theta energy: -15.966 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: 7, replica: 7 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -116.688771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.688771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.688771 (E_RNA) where: Base-Base interactions energy: -65.618 where: short stacking energy: -35.426 Base-Backbone interact. energy: 0.350 local terms energy: -51.420326 where: bonds (distance) C4'-P energy: -14.977 bonds (distance) P-C4' energy: -12.968 flat angles C4'-P-C4' energy: -17.461 flat angles P-C4'-P energy: -2.828 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: 8, replica: 1 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -104.460365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.460365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.460365 (E_RNA) where: Base-Base interactions energy: -39.704 where: short stacking energy: -35.952 Base-Backbone interact. energy: -0.305 local terms energy: -64.451335 where: bonds (distance) C4'-P energy: -14.761 bonds (distance) P-C4' energy: -15.655 flat angles C4'-P-C4' energy: -17.834 flat angles P-C4'-P energy: -11.091 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: 9, replica: 9 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -100.290963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.290963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.290963 (E_RNA) where: Base-Base interactions energy: -52.821 where: short stacking energy: -47.909 Base-Backbone interact. energy: -0.098 local terms energy: -47.372173 where: bonds (distance) C4'-P energy: -13.847 bonds (distance) P-C4' energy: -13.024 flat angles C4'-P-C4' energy: -8.010 flat angles P-C4'-P energy: -10.314 tors. eta vs tors. theta energy: -2.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -117.569877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.569877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.569877 (E_RNA) where: Base-Base interactions energy: -62.505 where: short stacking energy: -44.818 Base-Backbone interact. energy: 0.073 local terms energy: -55.137618 where: bonds (distance) C4'-P energy: -12.858 bonds (distance) P-C4' energy: -17.416 flat angles C4'-P-C4' energy: -11.333 flat angles P-C4'-P energy: -7.208 tors. eta vs tors. theta energy: -6.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -270.346592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.346592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.346592 (E_RNA) where: Base-Base interactions energy: -192.390 where: short stacking energy: -92.785 Base-Backbone interact. energy: -0.490 local terms energy: -77.466329 where: bonds (distance) C4'-P energy: -12.240 bonds (distance) P-C4' energy: -18.266 flat angles C4'-P-C4' energy: -16.631 flat angles P-C4'-P energy: -9.877 tors. eta vs tors. theta energy: -20.453 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: 6 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -252.984427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.984427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.984427 (E_RNA) where: Base-Base interactions energy: -174.192 where: short stacking energy: -92.038 Base-Backbone interact. energy: -0.001 local terms energy: -78.791406 where: bonds (distance) C4'-P energy: -17.345 bonds (distance) P-C4' energy: -16.718 flat angles C4'-P-C4' energy: -17.674 flat angles P-C4'-P energy: -9.492 tors. eta vs tors. theta energy: -17.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -231.668141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.668141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.668141 (E_RNA) where: Base-Base interactions energy: -153.572 where: short stacking energy: -83.063 Base-Backbone interact. energy: -0.012 local terms energy: -78.084438 where: bonds (distance) C4'-P energy: -13.081 bonds (distance) P-C4' energy: -15.386 flat angles C4'-P-C4' energy: -18.481 flat angles P-C4'-P energy: -10.883 tors. eta vs tors. theta energy: -20.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -238.740666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.740666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.740666 (E_RNA) where: Base-Base interactions energy: -167.765 where: short stacking energy: -77.114 Base-Backbone interact. energy: -0.260 local terms energy: -70.715876 where: bonds (distance) C4'-P energy: -14.256 bonds (distance) P-C4' energy: -16.237 flat angles C4'-P-C4' energy: -17.926 flat angles P-C4'-P energy: -12.513 tors. eta vs tors. theta energy: -9.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -201.837120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.837120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.837120 (E_RNA) where: Base-Base interactions energy: -133.025 where: short stacking energy: -62.642 Base-Backbone interact. energy: -0.049 local terms energy: -68.762931 where: bonds (distance) C4'-P energy: -15.536 bonds (distance) P-C4' energy: -14.760 flat angles C4'-P-C4' energy: -17.083 flat angles P-C4'-P energy: -8.490 tors. eta vs tors. theta energy: -12.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -167.598504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.598504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.598504 (E_RNA) where: Base-Base interactions energy: -103.957 where: short stacking energy: -64.234 Base-Backbone interact. energy: -0.203 local terms energy: -63.437771 where: bonds (distance) C4'-P energy: -11.343 bonds (distance) P-C4' energy: -17.240 flat angles C4'-P-C4' energy: -18.770 flat angles P-C4'-P energy: -7.736 tors. eta vs tors. theta energy: -8.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -108.357365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.357365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.357365 (E_RNA) where: Base-Base interactions energy: -49.172 where: short stacking energy: -37.815 Base-Backbone interact. energy: -0.168 local terms energy: -59.017383 where: bonds (distance) C4'-P energy: -15.891 bonds (distance) P-C4' energy: -16.318 flat angles C4'-P-C4' energy: -10.744 flat angles P-C4'-P energy: -14.825 tors. eta vs tors. theta energy: -1.239 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: 8, replica: 1 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -138.239292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.239292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.239292 (E_RNA) where: Base-Base interactions energy: -77.073 where: short stacking energy: -52.716 Base-Backbone interact. energy: -1.436 local terms energy: -59.730740 where: bonds (distance) C4'-P energy: -17.035 bonds (distance) P-C4' energy: -15.684 flat angles C4'-P-C4' energy: -16.637 flat angles P-C4'-P energy: -4.120 tors. eta vs tors. theta energy: -6.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -116.772731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.772731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.772731 (E_RNA) where: Base-Base interactions energy: -68.934 where: short stacking energy: -35.578 Base-Backbone interact. energy: 0.635 local terms energy: -48.473816 where: bonds (distance) C4'-P energy: -10.928 bonds (distance) P-C4' energy: -15.727 flat angles C4'-P-C4' energy: -15.388 flat angles P-C4'-P energy: -5.497 tors. eta vs tors. theta energy: -0.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -108.350795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.350795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.350795 (E_RNA) where: Base-Base interactions energy: -43.071 where: short stacking energy: -43.071 Base-Backbone interact. energy: -0.148 local terms energy: -65.132221 where: bonds (distance) C4'-P energy: -9.152 bonds (distance) P-C4' energy: -20.194 flat angles C4'-P-C4' energy: -17.728 flat angles P-C4'-P energy: -10.028 tors. eta vs tors. theta energy: -8.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -273.197107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.197107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.197107 (E_RNA) where: Base-Base interactions energy: -182.099 where: short stacking energy: -99.070 Base-Backbone interact. energy: -0.903 local terms energy: -90.195737 where: bonds (distance) C4'-P energy: -15.940 bonds (distance) P-C4' energy: -14.669 flat angles C4'-P-C4' energy: -19.267 flat angles P-C4'-P energy: -12.349 tors. eta vs tors. theta energy: -27.970 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: 4 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -243.623396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.623396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.623396 (E_RNA) where: Base-Base interactions energy: -160.828 where: short stacking energy: -94.196 Base-Backbone interact. energy: -0.467 local terms energy: -82.328045 where: bonds (distance) C4'-P energy: -17.179 bonds (distance) P-C4' energy: -14.389 flat angles C4'-P-C4' energy: -18.397 flat angles P-C4'-P energy: -12.618 tors. eta vs tors. theta energy: -19.745 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: 6 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -251.472592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.472592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.472592 (E_RNA) where: Base-Base interactions energy: -170.990 where: short stacking energy: -90.175 Base-Backbone interact. energy: -0.274 local terms energy: -80.208098 where: bonds (distance) C4'-P energy: -18.463 bonds (distance) P-C4' energy: -15.173 flat angles C4'-P-C4' energy: -15.867 flat angles P-C4'-P energy: -9.664 tors. eta vs tors. theta energy: -21.041 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: 5 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -220.964346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.964346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.964346 (E_RNA) where: Base-Base interactions energy: -147.585 where: short stacking energy: -75.722 Base-Backbone interact. energy: 0.888 local terms energy: -74.267382 where: bonds (distance) C4'-P energy: -13.920 bonds (distance) P-C4' energy: -15.737 flat angles C4'-P-C4' energy: -18.730 flat angles P-C4'-P energy: -11.332 tors. eta vs tors. theta energy: -14.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -240.852256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.852256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.852256 (E_RNA) where: Base-Base interactions energy: -165.640 where: short stacking energy: -68.425 Base-Backbone interact. energy: -0.084 local terms energy: -75.128052 where: bonds (distance) C4'-P energy: -14.115 bonds (distance) P-C4' energy: -14.203 flat angles C4'-P-C4' energy: -17.545 flat angles P-C4'-P energy: -13.548 tors. eta vs tors. theta energy: -15.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -136.018843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.018843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.018843 (E_RNA) where: Base-Base interactions energy: -67.272 where: short stacking energy: -41.784 Base-Backbone interact. energy: -0.220 local terms energy: -68.526992 where: bonds (distance) C4'-P energy: -19.248 bonds (distance) P-C4' energy: -18.138 flat angles C4'-P-C4' energy: -15.688 flat angles P-C4'-P energy: -5.388 tors. eta vs tors. theta energy: -10.065 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: 7 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -116.558584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.558584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.558584 (E_RNA) where: Base-Base interactions energy: -56.203 where: short stacking energy: -56.203 Base-Backbone interact. energy: -0.011 local terms energy: -60.344649 where: bonds (distance) C4'-P energy: -13.862 bonds (distance) P-C4' energy: -10.173 flat angles C4'-P-C4' energy: -16.352 flat angles P-C4'-P energy: -10.321 tors. eta vs tors. theta energy: -9.637 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: 1 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -125.876722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.876722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.876722 (E_RNA) where: Base-Base interactions energy: -65.260 where: short stacking energy: -48.528 Base-Backbone interact. energy: -0.182 local terms energy: -60.435038 where: bonds (distance) C4'-P energy: -10.254 bonds (distance) P-C4' energy: -18.889 flat angles C4'-P-C4' energy: -9.746 flat angles P-C4'-P energy: -10.800 tors. eta vs tors. theta energy: -10.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -91.079039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.079039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.079039 (E_RNA) where: Base-Base interactions energy: -38.376 where: short stacking energy: -31.814 Base-Backbone interact. energy: -0.562 local terms energy: -52.140574 where: bonds (distance) C4'-P energy: -6.920 bonds (distance) P-C4' energy: -17.140 flat angles C4'-P-C4' energy: -14.751 flat angles P-C4'-P energy: -9.080 tors. eta vs tors. theta energy: -4.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -112.678738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.678738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.678738 (E_RNA) where: Base-Base interactions energy: -59.558 where: short stacking energy: -42.499 Base-Backbone interact. energy: -0.058 local terms energy: -53.063581 where: bonds (distance) C4'-P energy: -17.311 bonds (distance) P-C4' energy: -12.045 flat angles C4'-P-C4' energy: -12.410 flat angles P-C4'-P energy: -3.468 tors. eta vs tors. theta energy: -7.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -262.947993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.947993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.947993 (E_RNA) where: Base-Base interactions energy: -172.619 where: short stacking energy: -86.787 Base-Backbone interact. energy: 0.708 local terms energy: -91.037478 where: bonds (distance) C4'-P energy: -18.350 bonds (distance) P-C4' energy: -18.593 flat angles C4'-P-C4' energy: -18.698 flat angles P-C4'-P energy: -12.787 tors. eta vs tors. theta energy: -22.610 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: 4 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -241.700033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.700033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.700033 (E_RNA) where: Base-Base interactions energy: -153.470 where: short stacking energy: -98.578 Base-Backbone interact. energy: -0.117 local terms energy: -88.112857 where: bonds (distance) C4'-P energy: -19.476 bonds (distance) P-C4' energy: -15.460 flat angles C4'-P-C4' energy: -17.095 flat angles P-C4'-P energy: -9.718 tors. eta vs tors. theta energy: -26.363 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: 3, replica: 6 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -251.717867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.717867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.717867 (E_RNA) where: Base-Base interactions energy: -177.656 where: short stacking energy: -90.991 Base-Backbone interact. energy: 0.431 local terms energy: -74.492963 where: bonds (distance) C4'-P energy: -16.060 bonds (distance) P-C4' energy: -17.368 flat angles C4'-P-C4' energy: -13.005 flat angles P-C4'-P energy: -7.458 tors. eta vs tors. theta energy: -20.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -236.383427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.383427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.383427 (E_RNA) where: Base-Base interactions energy: -151.243 where: short stacking energy: -83.345 Base-Backbone interact. energy: 0.167 local terms energy: -85.307767 where: bonds (distance) C4'-P energy: -20.019 bonds (distance) P-C4' energy: -15.266 flat angles C4'-P-C4' energy: -13.592 flat angles P-C4'-P energy: -15.573 tors. eta vs tors. theta energy: -20.857 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: 5, replica: 8 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -245.751802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.751802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.751802 (E_RNA) where: Base-Base interactions energy: -169.696 where: short stacking energy: -82.113 Base-Backbone interact. energy: 0.320 local terms energy: -76.375858 where: bonds (distance) C4'-P energy: -13.635 bonds (distance) P-C4' energy: -19.020 flat angles C4'-P-C4' energy: -17.947 flat angles P-C4'-P energy: -12.252 tors. eta vs tors. theta energy: -13.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -131.273261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.273261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.273261 (E_RNA) where: Base-Base interactions energy: -66.516 where: short stacking energy: -53.233 Base-Backbone interact. energy: -0.789 local terms energy: -63.968424 where: bonds (distance) C4'-P energy: -18.094 bonds (distance) P-C4' energy: -15.649 flat angles C4'-P-C4' energy: -9.733 flat angles P-C4'-P energy: -13.417 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: 7, replica: 1 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -191.399001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.399001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.399001 (E_RNA) where: Base-Base interactions energy: -130.787 where: short stacking energy: -59.583 Base-Backbone interact. energy: 0.918 local terms energy: -61.530247 where: bonds (distance) C4'-P energy: -14.309 bonds (distance) P-C4' energy: -16.837 flat angles C4'-P-C4' energy: -13.021 flat angles P-C4'-P energy: -8.822 tors. eta vs tors. theta energy: -8.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -124.825286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.825286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.825286 (E_RNA) where: Base-Base interactions energy: -67.408 where: short stacking energy: -67.408 Base-Backbone interact. energy: -0.085 local terms energy: -57.332850 where: bonds (distance) C4'-P energy: -8.974 bonds (distance) P-C4' energy: -8.703 flat angles C4'-P-C4' energy: -17.930 flat angles P-C4'-P energy: -9.546 tors. eta vs tors. theta energy: -12.182 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: 9 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -101.700434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.700434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.700434 (E_RNA) where: Base-Base interactions energy: -51.574 where: short stacking energy: -38.927 Base-Backbone interact. energy: -0.201 local terms energy: -49.925622 where: bonds (distance) C4'-P energy: -13.796 bonds (distance) P-C4' energy: -12.234 flat angles C4'-P-C4' energy: -12.243 flat angles P-C4'-P energy: -7.350 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: 10, replica: 10 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -88.680838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.680838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.680838 (E_RNA) where: Base-Base interactions energy: -34.182 where: short stacking energy: -34.182 Base-Backbone interact. energy: 0.018 local terms energy: -54.516825 where: bonds (distance) C4'-P energy: -10.921 bonds (distance) P-C4' energy: -12.820 flat angles C4'-P-C4' energy: -17.771 flat angles P-C4'-P energy: -8.114 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: 1, replica: 2 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -259.217940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.217940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.217940 (E_RNA) where: Base-Base interactions energy: -173.890 where: short stacking energy: -89.525 Base-Backbone interact. energy: -0.495 local terms energy: -84.833272 where: bonds (distance) C4'-P energy: -14.683 bonds (distance) P-C4' energy: -17.713 flat angles C4'-P-C4' energy: -17.406 flat angles P-C4'-P energy: -12.158 tors. eta vs tors. theta energy: -22.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -240.923008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.923008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.923008 (E_RNA) where: Base-Base interactions energy: -155.784 where: short stacking energy: -77.712 Base-Backbone interact. energy: -0.130 local terms energy: -85.008611 where: bonds (distance) C4'-P energy: -15.011 bonds (distance) P-C4' energy: -17.280 flat angles C4'-P-C4' energy: -20.704 flat angles P-C4'-P energy: -13.414 tors. eta vs tors. theta energy: -18.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -235.866629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.866629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.866629 (E_RNA) where: Base-Base interactions energy: -152.729 where: short stacking energy: -102.164 Base-Backbone interact. energy: -0.081 local terms energy: -83.056870 where: bonds (distance) C4'-P energy: -12.352 bonds (distance) P-C4' energy: -16.469 flat angles C4'-P-C4' energy: -17.468 flat angles P-C4'-P energy: -11.120 tors. eta vs tors. theta energy: -25.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -245.633334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.633334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.633334 (E_RNA) where: Base-Base interactions energy: -170.286 where: short stacking energy: -82.227 Base-Backbone interact. energy: -1.803 local terms energy: -73.544388 where: bonds (distance) C4'-P energy: -17.560 bonds (distance) P-C4' energy: -13.736 flat angles C4'-P-C4' energy: -15.229 flat angles P-C4'-P energy: -9.628 tors. eta vs tors. theta energy: -17.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -211.993800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.993800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.993800 (E_RNA) where: Base-Base interactions energy: -138.757 where: short stacking energy: -72.665 Base-Backbone interact. energy: 0.032 local terms energy: -73.268577 where: bonds (distance) C4'-P energy: -14.519 bonds (distance) P-C4' energy: -17.752 flat angles C4'-P-C4' energy: -18.205 flat angles P-C4'-P energy: -9.450 tors. eta vs tors. theta energy: -13.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -194.533007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.533007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.533007 (E_RNA) where: Base-Base interactions energy: -124.047 where: short stacking energy: -61.333 Base-Backbone interact. energy: -2.806 local terms energy: -67.680175 where: bonds (distance) C4'-P energy: -15.424 bonds (distance) P-C4' energy: -16.556 flat angles C4'-P-C4' energy: -13.097 flat angles P-C4'-P energy: -10.560 tors. eta vs tors. theta energy: -12.043 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: 21 Temperature: 1.200000 Total energy: -111.480492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.480492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.480492 (E_RNA) where: Base-Base interactions energy: -47.680 where: short stacking energy: -38.789 Base-Backbone interact. energy: -0.311 local terms energy: -63.489546 where: bonds (distance) C4'-P energy: -17.366 bonds (distance) P-C4' energy: -15.927 flat angles C4'-P-C4' energy: -14.770 flat angles P-C4'-P energy: -10.292 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: 8, replica: 9 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -149.753652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.753652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.753652 (E_RNA) where: Base-Base interactions energy: -81.577 where: short stacking energy: -58.749 Base-Backbone interact. energy: -0.186 local terms energy: -67.991067 where: bonds (distance) C4'-P energy: -15.470 bonds (distance) P-C4' energy: -16.176 flat angles C4'-P-C4' energy: -16.306 flat angles P-C4'-P energy: -12.541 tors. eta vs tors. theta energy: -7.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -99.844939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.844939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.844939 (E_RNA) where: Base-Base interactions energy: -50.272 where: short stacking energy: -37.620 Base-Backbone interact. energy: 0.415 local terms energy: -49.988641 where: bonds (distance) C4'-P energy: -13.149 bonds (distance) P-C4' energy: -13.695 flat angles C4'-P-C4' energy: -5.901 flat angles P-C4'-P energy: -11.081 tors. eta vs tors. theta energy: -6.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -109.056398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.056398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.056398 (E_RNA) where: Base-Base interactions energy: -53.466 where: short stacking energy: -33.724 Base-Backbone interact. energy: -0.040 local terms energy: -55.550916 where: bonds (distance) C4'-P energy: -10.033 bonds (distance) P-C4' energy: -14.679 flat angles C4'-P-C4' energy: -16.495 flat angles P-C4'-P energy: -10.230 tors. eta vs tors. theta energy: -4.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -252.936476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.936476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.936476 (E_RNA) where: Base-Base interactions energy: -174.909 where: short stacking energy: -93.872 Base-Backbone interact. energy: -0.176 local terms energy: -77.851711 where: bonds (distance) C4'-P energy: -15.651 bonds (distance) P-C4' energy: -17.571 flat angles C4'-P-C4' energy: -13.404 flat angles P-C4'-P energy: -9.518 tors. eta vs tors. theta energy: -21.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -253.833305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.833305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.833305 (E_RNA) where: Base-Base interactions energy: -162.640 where: short stacking energy: -87.833 Base-Backbone interact. energy: 0.497 local terms energy: -91.689766 where: bonds (distance) C4'-P energy: -19.336 bonds (distance) P-C4' energy: -21.587 flat angles C4'-P-C4' energy: -18.500 flat angles P-C4'-P energy: -8.604 tors. eta vs tors. theta energy: -23.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -253.500631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.500631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.500631 (E_RNA) where: Base-Base interactions energy: -167.700 where: short stacking energy: -82.957 Base-Backbone interact. energy: 0.419 local terms energy: -86.219941 where: bonds (distance) C4'-P energy: -18.168 bonds (distance) P-C4' energy: -19.147 flat angles C4'-P-C4' energy: -17.372 flat angles P-C4'-P energy: -12.695 tors. eta vs tors. theta energy: -18.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -226.463446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.463446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.463446 (E_RNA) where: Base-Base interactions energy: -145.922 where: short stacking energy: -76.923 Base-Backbone interact. energy: -0.097 local terms energy: -80.444136 where: bonds (distance) C4'-P energy: -14.050 bonds (distance) P-C4' energy: -16.243 flat angles C4'-P-C4' energy: -16.752 flat angles P-C4'-P energy: -12.798 tors. eta vs tors. theta energy: -20.600 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: 1 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -218.445703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.445703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.445703 (E_RNA) where: Base-Base interactions energy: -159.558 where: short stacking energy: -72.022 Base-Backbone interact. energy: 0.149 local terms energy: -59.036451 where: bonds (distance) C4'-P energy: -11.693 bonds (distance) P-C4' energy: -17.709 flat angles C4'-P-C4' energy: -12.338 flat angles P-C4'-P energy: -4.838 tors. eta vs tors. theta energy: -12.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -198.326545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.326545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.326545 (E_RNA) where: Base-Base interactions energy: -136.153 where: short stacking energy: -63.209 Base-Backbone interact. energy: -0.661 local terms energy: -61.511830 where: bonds (distance) C4'-P energy: -13.681 bonds (distance) P-C4' energy: -15.361 flat angles C4'-P-C4' energy: -16.704 flat angles P-C4'-P energy: -3.442 tors. eta vs tors. theta energy: -12.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -134.970063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.970063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.970063 (E_RNA) where: Base-Base interactions energy: -83.526 where: short stacking energy: -40.681 Base-Backbone interact. energy: 3.578 local terms energy: -55.021548 where: bonds (distance) C4'-P energy: -12.952 bonds (distance) P-C4' energy: -16.420 flat angles C4'-P-C4' energy: -12.015 flat angles P-C4'-P energy: -8.494 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: 8, replica: 3 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -103.227387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.227387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.227387 (E_RNA) where: Base-Base interactions energy: -49.893 where: short stacking energy: -47.017 Base-Backbone interact. energy: 0.282 local terms energy: -53.616021 where: bonds (distance) C4'-P energy: -11.697 bonds (distance) P-C4' energy: -15.769 flat angles C4'-P-C4' energy: -9.080 flat angles P-C4'-P energy: -8.947 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: 9, replica: 10 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -120.061285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.061285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.061285 (E_RNA) where: Base-Base interactions energy: -54.873 where: short stacking energy: -33.364 Base-Backbone interact. energy: -0.127 local terms energy: -65.061594 where: bonds (distance) C4'-P energy: -17.300 bonds (distance) P-C4' energy: -18.763 flat angles C4'-P-C4' energy: -15.212 flat angles P-C4'-P energy: -7.038 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: 10, replica: 7 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -97.059888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.059888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.059888 (E_RNA) where: Base-Base interactions energy: -45.380 where: short stacking energy: -29.171 Base-Backbone interact. energy: -0.211 local terms energy: -51.469280 where: bonds (distance) C4'-P energy: -13.764 bonds (distance) P-C4' energy: -13.913 flat angles C4'-P-C4' energy: -14.580 flat angles P-C4'-P energy: -6.723 tors. eta vs tors. theta energy: -2.490 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: 6 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -245.323505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.323505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.323505 (E_RNA) where: Base-Base interactions energy: -161.484 where: short stacking energy: -80.701 Base-Backbone interact. energy: -0.220 local terms energy: -83.619387 where: bonds (distance) C4'-P energy: -17.725 bonds (distance) P-C4' energy: -18.442 flat angles C4'-P-C4' energy: -18.785 flat angles P-C4'-P energy: -10.002 tors. eta vs tors. theta energy: -18.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -265.998305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.998305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.998305 (E_RNA) where: Base-Base interactions energy: -189.117 where: short stacking energy: -87.689 Base-Backbone interact. energy: -0.040 local terms energy: -76.840361 where: bonds (distance) C4'-P energy: -14.098 bonds (distance) P-C4' energy: -17.588 flat angles C4'-P-C4' energy: -14.289 flat angles P-C4'-P energy: -14.744 tors. eta vs tors. theta energy: -16.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -253.353867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.353867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.353867 (E_RNA) where: Base-Base interactions energy: -173.576 where: short stacking energy: -91.132 Base-Backbone interact. energy: -0.201 local terms energy: -79.576843 where: bonds (distance) C4'-P energy: -17.353 bonds (distance) P-C4' energy: -13.093 flat angles C4'-P-C4' energy: -18.757 flat angles P-C4'-P energy: -8.879 tors. eta vs tors. theta energy: -21.495 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: 4, replica: 1 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -227.738951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.738951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.738951 (E_RNA) where: Base-Base interactions energy: -151.300 where: short stacking energy: -70.210 Base-Backbone interact. energy: -0.150 local terms energy: -76.288754 where: bonds (distance) C4'-P energy: -16.837 bonds (distance) P-C4' energy: -19.010 flat angles C4'-P-C4' energy: -19.366 flat angles P-C4'-P energy: -7.924 tors. eta vs tors. theta energy: -13.152 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: 4 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -216.892850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.892850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.892850 (E_RNA) where: Base-Base interactions energy: -140.873 where: short stacking energy: -74.331 Base-Backbone interact. energy: -0.769 local terms energy: -75.250434 where: bonds (distance) C4'-P energy: -17.420 bonds (distance) P-C4' energy: -16.055 flat angles C4'-P-C4' energy: -17.409 flat angles P-C4'-P energy: -6.782 tors. eta vs tors. theta energy: -17.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -185.021372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.021372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.021372 (E_RNA) where: Base-Base interactions energy: -111.191 where: short stacking energy: -68.869 Base-Backbone interact. energy: -0.049 local terms energy: -73.781129 where: bonds (distance) C4'-P energy: -14.901 bonds (distance) P-C4' energy: -15.777 flat angles C4'-P-C4' energy: -18.868 flat angles P-C4'-P energy: -10.963 tors. eta vs tors. theta energy: -13.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -139.428462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.428462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.428462 (E_RNA) where: Base-Base interactions energy: -87.687 where: short stacking energy: -42.883 Base-Backbone interact. energy: -0.615 local terms energy: -51.126778 where: bonds (distance) C4'-P energy: -17.131 bonds (distance) P-C4' energy: -15.266 flat angles C4'-P-C4' energy: -11.908 flat angles P-C4'-P energy: -4.638 tors. eta vs tors. theta energy: -2.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -104.906375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.906375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.906375 (E_RNA) where: Base-Base interactions energy: -53.611 where: short stacking energy: -53.611 Base-Backbone interact. energy: -0.055 local terms energy: -51.239918 where: bonds (distance) C4'-P energy: -14.886 bonds (distance) P-C4' energy: -9.700 flat angles C4'-P-C4' energy: -9.733 flat angles P-C4'-P energy: -8.904 tors. eta vs tors. theta energy: -8.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -125.105576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.105576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.105576 (E_RNA) where: Base-Base interactions energy: -61.036 where: short stacking energy: -51.206 Base-Backbone interact. energy: -0.003 local terms energy: -64.065825 where: bonds (distance) C4'-P energy: -12.965 bonds (distance) P-C4' energy: -18.528 flat angles C4'-P-C4' energy: -15.547 flat angles P-C4'-P energy: -7.590 tors. eta vs tors. theta energy: -9.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -127.407285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.407285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.407285 (E_RNA) where: Base-Base interactions energy: -79.617 where: short stacking energy: -44.198 Base-Backbone interact. energy: 0.624 local terms energy: -48.414606 where: bonds (distance) C4'-P energy: -11.113 bonds (distance) P-C4' energy: -11.661 flat angles C4'-P-C4' energy: -12.707 flat angles P-C4'-P energy: -8.429 tors. eta vs tors. theta energy: -4.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -255.354426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.354426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.354426 (E_RNA) where: Base-Base interactions energy: -176.533 where: short stacking energy: -94.130 Base-Backbone interact. energy: -0.114 local terms energy: -78.707262 where: bonds (distance) C4'-P energy: -12.963 bonds (distance) P-C4' energy: -15.977 flat angles C4'-P-C4' energy: -18.387 flat angles P-C4'-P energy: -10.912 tors. eta vs tors. theta energy: -20.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -255.830303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.830303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.830303 (E_RNA) where: Base-Base interactions energy: -175.391 where: short stacking energy: -77.864 Base-Backbone interact. energy: -0.021 local terms energy: -80.417974 where: bonds (distance) C4'-P energy: -16.139 bonds (distance) P-C4' energy: -17.735 flat angles C4'-P-C4' energy: -16.828 flat angles P-C4'-P energy: -14.564 tors. eta vs tors. theta energy: -15.151 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: 2 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -258.099878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.099878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.099878 (E_RNA) where: Base-Base interactions energy: -177.185 where: short stacking energy: -79.414 Base-Backbone interact. energy: -0.741 local terms energy: -80.173992 where: bonds (distance) C4'-P energy: -20.259 bonds (distance) P-C4' energy: -17.030 flat angles C4'-P-C4' energy: -17.032 flat angles P-C4'-P energy: -8.197 tors. eta vs tors. theta energy: -17.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -223.643657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.643657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.643657 (E_RNA) where: Base-Base interactions energy: -149.697 where: short stacking energy: -75.676 Base-Backbone interact. energy: -0.495 local terms energy: -73.451961 where: bonds (distance) C4'-P energy: -15.962 bonds (distance) P-C4' energy: -17.212 flat angles C4'-P-C4' energy: -17.266 flat angles P-C4'-P energy: -8.016 tors. eta vs tors. theta energy: -14.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -183.182615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.182615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.182615 (E_RNA) where: Base-Base interactions energy: -112.977 where: short stacking energy: -74.178 Base-Backbone interact. energy: -0.337 local terms energy: -69.868069 where: bonds (distance) C4'-P energy: -16.164 bonds (distance) P-C4' energy: -12.812 flat angles C4'-P-C4' energy: -17.858 flat angles P-C4'-P energy: -5.389 tors. eta vs tors. theta energy: -17.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -195.616302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.616302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.616302 (E_RNA) where: Base-Base interactions energy: -127.287 where: short stacking energy: -71.140 Base-Backbone interact. energy: -0.350 local terms energy: -67.979538 where: bonds (distance) C4'-P energy: -15.313 bonds (distance) P-C4' energy: -18.640 flat angles C4'-P-C4' energy: -13.172 flat angles P-C4'-P energy: -6.823 tors. eta vs tors. theta energy: -14.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -149.775133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.775133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.775133 (E_RNA) where: Base-Base interactions energy: -89.412 where: short stacking energy: -42.468 Base-Backbone interact. energy: -1.417 local terms energy: -58.946716 where: bonds (distance) C4'-P energy: -17.196 bonds (distance) P-C4' energy: -14.920 flat angles C4'-P-C4' energy: -15.763 flat angles P-C4'-P energy: -6.690 tors. eta vs tors. theta energy: -4.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -133.959277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.959277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.959277 (E_RNA) where: Base-Base interactions energy: -68.241 where: short stacking energy: -59.035 Base-Backbone interact. energy: -0.057 local terms energy: -65.661588 where: bonds (distance) C4'-P energy: -10.034 bonds (distance) P-C4' energy: -17.611 flat angles C4'-P-C4' energy: -14.288 flat angles P-C4'-P energy: -10.135 tors. eta vs tors. theta energy: -13.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -139.381445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.381445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.381445 (E_RNA) where: Base-Base interactions energy: -88.954 where: short stacking energy: -31.464 Base-Backbone interact. energy: -1.142 local terms energy: -49.285543 where: bonds (distance) C4'-P energy: -8.057 bonds (distance) P-C4' energy: -16.833 flat angles C4'-P-C4' energy: -17.010 flat angles P-C4'-P energy: -4.516 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: 10, replica: 3 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -166.472336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.472336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.472336 (E_RNA) where: Base-Base interactions energy: -97.749 where: short stacking energy: -38.114 Base-Backbone interact. energy: -0.347 local terms energy: -68.375802 where: bonds (distance) C4'-P energy: -19.120 bonds (distance) P-C4' energy: -16.919 flat angles C4'-P-C4' energy: -13.348 flat angles P-C4'-P energy: -8.545 tors. eta vs tors. theta energy: -10.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -245.653883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.653883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.653883 (E_RNA) where: Base-Base interactions energy: -169.147 where: short stacking energy: -85.324 Base-Backbone interact. energy: -0.215 local terms energy: -76.292497 where: bonds (distance) C4'-P energy: -15.445 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -18.385 flat angles P-C4'-P energy: -10.774 tors. eta vs tors. theta energy: -17.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -262.038830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.038830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.038830 (E_RNA) where: Base-Base interactions energy: -182.844 where: short stacking energy: -82.315 Base-Backbone interact. energy: -0.198 local terms energy: -78.996423 where: bonds (distance) C4'-P energy: -12.923 bonds (distance) P-C4' energy: -21.381 flat angles C4'-P-C4' energy: -19.963 flat angles P-C4'-P energy: -5.329 tors. eta vs tors. theta energy: -19.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -267.678929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.678929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.678929 (E_RNA) where: Base-Base interactions energy: -189.214 where: short stacking energy: -90.442 Base-Backbone interact. energy: -0.313 local terms energy: -78.151999 where: bonds (distance) C4'-P energy: -15.626 bonds (distance) P-C4' energy: -11.075 flat angles C4'-P-C4' energy: -17.414 flat angles P-C4'-P energy: -13.393 tors. eta vs tors. theta energy: -20.644 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: 1 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -230.340975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.340975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.340975 (E_RNA) where: Base-Base interactions energy: -149.201 where: short stacking energy: -72.774 Base-Backbone interact. energy: -0.740 local terms energy: -80.400592 where: bonds (distance) C4'-P energy: -18.864 bonds (distance) P-C4' energy: -21.290 flat angles C4'-P-C4' energy: -17.780 flat angles P-C4'-P energy: -6.059 tors. eta vs tors. theta energy: -16.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -172.836870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.836870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.836870 (E_RNA) where: Base-Base interactions energy: -103.849 where: short stacking energy: -64.518 Base-Backbone interact. energy: -0.014 local terms energy: -68.974640 where: bonds (distance) C4'-P energy: -12.591 bonds (distance) P-C4' energy: -13.244 flat angles C4'-P-C4' energy: -16.482 flat angles P-C4'-P energy: -11.914 tors. eta vs tors. theta energy: -14.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -201.968902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.968902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.968902 (E_RNA) where: Base-Base interactions energy: -124.886 where: short stacking energy: -74.388 Base-Backbone interact. energy: -0.006 local terms energy: -77.076822 where: bonds (distance) C4'-P energy: -14.852 bonds (distance) P-C4' energy: -19.633 flat angles C4'-P-C4' energy: -17.354 flat angles P-C4'-P energy: -10.910 tors. eta vs tors. theta energy: -14.329 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: 9 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -141.523677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.523677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.523677 (E_RNA) where: Base-Base interactions energy: -82.039 where: short stacking energy: -46.720 Base-Backbone interact. energy: 0.606 local terms energy: -60.090270 where: bonds (distance) C4'-P energy: -16.793 bonds (distance) P-C4' energy: -17.516 flat angles C4'-P-C4' energy: -15.393 flat angles P-C4'-P energy: -9.638 tors. eta vs tors. theta energy: -0.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -162.036940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.036940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.036940 (E_RNA) where: Base-Base interactions energy: -92.057 where: short stacking energy: -64.751 Base-Backbone interact. energy: -0.052 local terms energy: -69.928144 where: bonds (distance) C4'-P energy: -17.590 bonds (distance) P-C4' energy: -17.079 flat angles C4'-P-C4' energy: -13.536 flat angles P-C4'-P energy: -10.234 tors. eta vs tors. theta energy: -11.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -118.507324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.507324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.507324 (E_RNA) where: Base-Base interactions energy: -47.533 where: short stacking energy: -47.533 Base-Backbone interact. energy: -0.108 local terms energy: -70.865612 where: bonds (distance) C4'-P energy: -15.282 bonds (distance) P-C4' energy: -18.352 flat angles C4'-P-C4' energy: -15.303 flat angles P-C4'-P energy: -9.235 tors. eta vs tors. theta energy: -12.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -111.647539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.647539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.647539 (E_RNA) where: Base-Base interactions energy: -50.671 where: short stacking energy: -41.297 Base-Backbone interact. energy: -0.621 local terms energy: -60.356173 where: bonds (distance) C4'-P energy: -14.286 bonds (distance) P-C4' energy: -17.112 flat angles C4'-P-C4' energy: -13.195 flat angles P-C4'-P energy: -9.316 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: 2 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -258.331526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.331526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.331526 (E_RNA) where: Base-Base interactions energy: -174.847 where: short stacking energy: -76.579 Base-Backbone interact. energy: -2.023 local terms energy: -81.462213 where: bonds (distance) C4'-P energy: -16.753 bonds (distance) P-C4' energy: -20.824 flat angles C4'-P-C4' energy: -21.494 flat angles P-C4'-P energy: -5.603 tors. eta vs tors. theta energy: -16.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -233.991135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.991135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.991135 (E_RNA) where: Base-Base interactions energy: -155.959 where: short stacking energy: -78.061 Base-Backbone interact. energy: -0.080 local terms energy: -77.951695 where: bonds (distance) C4'-P energy: -15.809 bonds (distance) P-C4' energy: -19.183 flat angles C4'-P-C4' energy: -18.043 flat angles P-C4'-P energy: -7.955 tors. eta vs tors. theta energy: -16.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -269.979122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.979122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.979122 (E_RNA) where: Base-Base interactions energy: -176.462 where: short stacking energy: -85.577 Base-Backbone interact. energy: -0.796 local terms energy: -92.720989 where: bonds (distance) C4'-P energy: -18.740 bonds (distance) P-C4' energy: -19.972 flat angles C4'-P-C4' energy: -18.307 flat angles P-C4'-P energy: -15.082 tors. eta vs tors. theta energy: -20.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -214.080739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.080739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.080739 (E_RNA) where: Base-Base interactions energy: -142.024 where: short stacking energy: -68.416 Base-Backbone interact. energy: -1.754 local terms energy: -70.302576 where: bonds (distance) C4'-P energy: -13.435 bonds (distance) P-C4' energy: -13.898 flat angles C4'-P-C4' energy: -16.069 flat angles P-C4'-P energy: -12.468 tors. eta vs tors. theta energy: -14.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -192.498399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.498399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.498399 (E_RNA) where: Base-Base interactions energy: -117.627 where: short stacking energy: -65.786 Base-Backbone interact. energy: -0.289 local terms energy: -74.582699 where: bonds (distance) C4'-P energy: -17.315 bonds (distance) P-C4' energy: -17.233 flat angles C4'-P-C4' energy: -15.126 flat angles P-C4'-P energy: -11.816 tors. eta vs tors. theta energy: -13.092 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: 5 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -173.711415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.711415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.711415 (E_RNA) where: Base-Base interactions energy: -100.376 where: short stacking energy: -57.339 Base-Backbone interact. energy: -0.123 local terms energy: -73.212805 where: bonds (distance) C4'-P energy: -17.753 bonds (distance) P-C4' energy: -17.252 flat angles C4'-P-C4' energy: -13.560 flat angles P-C4'-P energy: -13.216 tors. eta vs tors. theta energy: -11.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -157.488290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.488290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.488290 (E_RNA) where: Base-Base interactions energy: -89.573 where: short stacking energy: -62.970 Base-Backbone interact. energy: -0.353 local terms energy: -67.562067 where: bonds (distance) C4'-P energy: -10.431 bonds (distance) P-C4' energy: -15.942 flat angles C4'-P-C4' energy: -14.156 flat angles P-C4'-P energy: -11.481 tors. eta vs tors. theta energy: -15.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -152.474623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.474623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.474623 (E_RNA) where: Base-Base interactions energy: -95.376 where: short stacking energy: -51.465 Base-Backbone interact. energy: -0.460 local terms energy: -56.638932 where: bonds (distance) C4'-P energy: -14.745 bonds (distance) P-C4' energy: -15.220 flat angles C4'-P-C4' energy: -11.367 flat angles P-C4'-P energy: -10.692 tors. eta vs tors. theta energy: -4.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -101.653560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.653560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.653560 (E_RNA) where: Base-Base interactions energy: -47.592 where: short stacking energy: -47.592 Base-Backbone interact. energy: -0.002 local terms energy: -54.059302 where: bonds (distance) C4'-P energy: -12.181 bonds (distance) P-C4' energy: -17.134 flat angles C4'-P-C4' energy: -11.628 flat angles P-C4'-P energy: -8.563 tors. eta vs tors. theta energy: -4.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -96.317690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.317690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.317690 (E_RNA) where: Base-Base interactions energy: -46.852 where: short stacking energy: -36.270 Base-Backbone interact. energy: -0.151 local terms energy: -49.314485 where: bonds (distance) C4'-P energy: -14.314 bonds (distance) P-C4' energy: -11.144 flat angles C4'-P-C4' energy: -13.799 flat angles P-C4'-P energy: -10.858 tors. eta vs tors. theta energy: 0.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -266.296445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.296445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.296445 (E_RNA) where: Base-Base interactions energy: -182.423 where: short stacking energy: -86.145 Base-Backbone interact. energy: 0.346 local terms energy: -84.219004 where: bonds (distance) C4'-P energy: -18.879 bonds (distance) P-C4' energy: -16.688 flat angles C4'-P-C4' energy: -17.620 flat angles P-C4'-P energy: -15.163 tors. eta vs tors. theta energy: -15.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -270.008964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.008964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.008964 (E_RNA) where: Base-Base interactions energy: -186.545 where: short stacking energy: -82.498 Base-Backbone interact. energy: -1.143 local terms energy: -82.320447 where: bonds (distance) C4'-P energy: -12.679 bonds (distance) P-C4' energy: -17.424 flat angles C4'-P-C4' energy: -18.251 flat angles P-C4'-P energy: -11.237 tors. eta vs tors. theta energy: -22.730 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: 3, replica: 6 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -248.718689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.718689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.718689 (E_RNA) where: Base-Base interactions energy: -167.459 where: short stacking energy: -86.657 Base-Backbone interact. energy: -0.446 local terms energy: -80.813737 where: bonds (distance) C4'-P energy: -16.172 bonds (distance) P-C4' energy: -17.251 flat angles C4'-P-C4' energy: -17.322 flat angles P-C4'-P energy: -10.432 tors. eta vs tors. theta energy: -19.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -224.821355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.821355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.821355 (E_RNA) where: Base-Base interactions energy: -151.047 where: short stacking energy: -74.701 Base-Backbone interact. energy: -0.597 local terms energy: -73.177613 where: bonds (distance) C4'-P energy: -16.314 bonds (distance) P-C4' energy: -13.792 flat angles C4'-P-C4' energy: -18.075 flat angles P-C4'-P energy: -9.282 tors. eta vs tors. theta energy: -15.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -193.111615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.111615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.111615 (E_RNA) where: Base-Base interactions energy: -123.298 where: short stacking energy: -77.192 Base-Backbone interact. energy: -0.728 local terms energy: -69.085853 where: bonds (distance) C4'-P energy: -9.782 bonds (distance) P-C4' energy: -10.648 flat angles C4'-P-C4' energy: -19.645 flat angles P-C4'-P energy: -12.254 tors. eta vs tors. theta energy: -16.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -190.984709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.984709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.984709 (E_RNA) where: Base-Base interactions energy: -127.358 where: short stacking energy: -66.607 Base-Backbone interact. energy: -0.010 local terms energy: -63.616356 where: bonds (distance) C4'-P energy: -12.563 bonds (distance) P-C4' energy: -14.673 flat angles C4'-P-C4' energy: -12.136 flat angles P-C4'-P energy: -9.771 tors. eta vs tors. theta energy: -14.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -133.802622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.802622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.802622 (E_RNA) where: Base-Base interactions energy: -83.012 where: short stacking energy: -50.227 Base-Backbone interact. energy: 1.443 local terms energy: -52.233452 where: bonds (distance) C4'-P energy: -11.884 bonds (distance) P-C4' energy: -16.067 flat angles C4'-P-C4' energy: -11.875 flat angles P-C4'-P energy: -7.545 tors. eta vs tors. theta energy: -4.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -148.566758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.566758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.566758 (E_RNA) where: Base-Base interactions energy: -85.049 where: short stacking energy: -45.354 Base-Backbone interact. energy: -0.110 local terms energy: -63.408590 where: bonds (distance) C4'-P energy: -18.350 bonds (distance) P-C4' energy: -10.297 flat angles C4'-P-C4' energy: -9.580 flat angles P-C4'-P energy: -12.806 tors. eta vs tors. theta energy: -12.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -114.557683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.557683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.557683 (E_RNA) where: Base-Base interactions energy: -45.522 where: short stacking energy: -44.642 Base-Backbone interact. energy: -0.261 local terms energy: -68.774820 where: bonds (distance) C4'-P energy: -16.790 bonds (distance) P-C4' energy: -16.688 flat angles C4'-P-C4' energy: -13.881 flat angles P-C4'-P energy: -11.651 tors. eta vs tors. theta energy: -9.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -89.484568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.484568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.484568 (E_RNA) where: Base-Base interactions energy: -44.209 where: short stacking energy: -31.505 Base-Backbone interact. energy: 1.730 local terms energy: -47.005631 where: bonds (distance) C4'-P energy: -12.616 bonds (distance) P-C4' energy: -14.804 flat angles C4'-P-C4' energy: -10.030 flat angles P-C4'-P energy: -10.918 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: 28 Temperature: 0.900000 Total energy: -273.882113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.882113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.882113 (E_RNA) where: Base-Base interactions energy: -195.106 where: short stacking energy: -85.426 Base-Backbone interact. energy: 0.413 local terms energy: -79.189314 where: bonds (distance) C4'-P energy: -18.290 bonds (distance) P-C4' energy: -17.376 flat angles C4'-P-C4' energy: -12.506 flat angles P-C4'-P energy: -12.508 tors. eta vs tors. theta energy: -18.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -265.438254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.438254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.438254 (E_RNA) where: Base-Base interactions energy: -185.623 where: short stacking energy: -84.823 Base-Backbone interact. energy: -0.311 local terms energy: -79.504038 where: bonds (distance) C4'-P energy: -14.996 bonds (distance) P-C4' energy: -16.613 flat angles C4'-P-C4' energy: -16.710 flat angles P-C4'-P energy: -13.396 tors. eta vs tors. theta energy: -17.788 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: 1 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -225.593305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.593305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.593305 (E_RNA) where: Base-Base interactions energy: -146.450 where: short stacking energy: -64.657 Base-Backbone interact. energy: -0.393 local terms energy: -78.750420 where: bonds (distance) C4'-P energy: -17.531 bonds (distance) P-C4' energy: -20.616 flat angles C4'-P-C4' energy: -17.759 flat angles P-C4'-P energy: -8.962 tors. eta vs tors. theta energy: -13.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -227.965846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.965846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.965846 (E_RNA) where: Base-Base interactions energy: -157.207 where: short stacking energy: -79.188 Base-Backbone interact. energy: -0.244 local terms energy: -70.514560 where: bonds (distance) C4'-P energy: -16.469 bonds (distance) P-C4' energy: -13.603 flat angles C4'-P-C4' energy: -18.393 flat angles P-C4'-P energy: -10.126 tors. eta vs tors. theta energy: -11.924 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: 5 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -196.690859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.690859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.690859 (E_RNA) where: Base-Base interactions energy: -128.798 where: short stacking energy: -72.398 Base-Backbone interact. energy: 2.353 local terms energy: -70.245560 where: bonds (distance) C4'-P energy: -16.463 bonds (distance) P-C4' energy: -12.866 flat angles C4'-P-C4' energy: -16.585 flat angles P-C4'-P energy: -9.890 tors. eta vs tors. theta energy: -14.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -188.040759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.040759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.040759 (E_RNA) where: Base-Base interactions energy: -115.325 where: short stacking energy: -65.273 Base-Backbone interact. energy: -0.069 local terms energy: -72.647551 where: bonds (distance) C4'-P energy: -19.130 bonds (distance) P-C4' energy: -13.856 flat angles C4'-P-C4' energy: -18.498 flat angles P-C4'-P energy: -7.964 tors. eta vs tors. theta energy: -13.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -198.619485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.619485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.619485 (E_RNA) where: Base-Base interactions energy: -129.638 where: short stacking energy: -65.934 Base-Backbone interact. energy: -0.005 local terms energy: -68.975718 where: bonds (distance) C4'-P energy: -14.352 bonds (distance) P-C4' energy: -20.624 flat angles C4'-P-C4' energy: -13.512 flat angles P-C4'-P energy: -12.248 tors. eta vs tors. theta energy: -8.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -106.770767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.770767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.770767 (E_RNA) where: Base-Base interactions energy: -47.397 where: short stacking energy: -35.589 Base-Backbone interact. energy: -0.540 local terms energy: -58.833818 where: bonds (distance) C4'-P energy: -13.361 bonds (distance) P-C4' energy: -14.368 flat angles C4'-P-C4' energy: -16.661 flat angles P-C4'-P energy: -8.124 tors. eta vs tors. theta energy: -6.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -113.257117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.257117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.257117 (E_RNA) where: Base-Base interactions energy: -52.484 where: short stacking energy: -40.262 Base-Backbone interact. energy: -0.281 local terms energy: -60.492603 where: bonds (distance) C4'-P energy: -15.127 bonds (distance) P-C4' energy: -15.518 flat angles C4'-P-C4' energy: -14.065 flat angles P-C4'-P energy: -11.036 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: 10, replica: 3 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -144.073679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.073679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.073679 (E_RNA) where: Base-Base interactions energy: -87.835 where: short stacking energy: -41.872 Base-Backbone interact. energy: 0.465 local terms energy: -56.703461 where: bonds (distance) C4'-P energy: -13.317 bonds (distance) P-C4' energy: -16.822 flat angles C4'-P-C4' energy: -11.508 flat angles P-C4'-P energy: -11.525 tors. eta vs tors. theta energy: -3.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -272.743274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.743274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.743274 (E_RNA) where: Base-Base interactions energy: -189.497 where: short stacking energy: -80.023 Base-Backbone interact. energy: -0.010 local terms energy: -83.236046 where: bonds (distance) C4'-P energy: -14.298 bonds (distance) P-C4' energy: -18.476 flat angles C4'-P-C4' energy: -17.401 flat angles P-C4'-P energy: -15.534 tors. eta vs tors. theta energy: -17.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -254.301611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.301611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.301611 (E_RNA) where: Base-Base interactions energy: -172.497 where: short stacking energy: -80.703 Base-Backbone interact. energy: -0.382 local terms energy: -81.422979 where: bonds (distance) C4'-P energy: -15.743 bonds (distance) P-C4' energy: -19.650 flat angles C4'-P-C4' energy: -16.088 flat angles P-C4'-P energy: -12.365 tors. eta vs tors. theta energy: -17.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -242.663437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.663437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.663437 (E_RNA) where: Base-Base interactions energy: -162.873 where: short stacking energy: -75.593 Base-Backbone interact. energy: -0.695 local terms energy: -79.095202 where: bonds (distance) C4'-P energy: -16.724 bonds (distance) P-C4' energy: -16.151 flat angles C4'-P-C4' energy: -17.310 flat angles P-C4'-P energy: -10.601 tors. eta vs tors. theta energy: -18.310 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: 6 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -245.674554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.674554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.674554 (E_RNA) where: Base-Base interactions energy: -172.308 where: short stacking energy: -90.276 Base-Backbone interact. energy: 0.095 local terms energy: -73.461578 where: bonds (distance) C4'-P energy: -15.511 bonds (distance) P-C4' energy: -17.300 flat angles C4'-P-C4' energy: -14.937 flat angles P-C4'-P energy: -4.279 tors. eta vs tors. theta energy: -21.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -181.342022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.342022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.342022 (E_RNA) where: Base-Base interactions energy: -109.975 where: short stacking energy: -54.773 Base-Backbone interact. energy: -0.944 local terms energy: -70.422513 where: bonds (distance) C4'-P energy: -7.404 bonds (distance) P-C4' energy: -19.951 flat angles C4'-P-C4' energy: -20.227 flat angles P-C4'-P energy: -11.898 tors. eta vs tors. theta energy: -10.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -206.419886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.419886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.419886 (E_RNA) where: Base-Base interactions energy: -136.016 where: short stacking energy: -68.445 Base-Backbone interact. energy: -0.150 local terms energy: -70.254029 where: bonds (distance) C4'-P energy: -16.584 bonds (distance) P-C4' energy: -16.578 flat angles C4'-P-C4' energy: -15.131 flat angles P-C4'-P energy: -5.241 tors. eta vs tors. theta energy: -16.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -180.950013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.950013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.950013 (E_RNA) where: Base-Base interactions energy: -115.725 where: short stacking energy: -67.451 Base-Backbone interact. energy: -0.155 local terms energy: -65.069697 where: bonds (distance) C4'-P energy: -14.049 bonds (distance) P-C4' energy: -15.882 flat angles C4'-P-C4' energy: -10.366 flat angles P-C4'-P energy: -13.661 tors. eta vs tors. theta energy: -11.111 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: 10 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -127.702907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.702907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.702907 (E_RNA) where: Base-Base interactions energy: -71.592 where: short stacking energy: -35.041 Base-Backbone interact. energy: 0.034 local terms energy: -56.145287 where: bonds (distance) C4'-P energy: -17.618 bonds (distance) P-C4' energy: -15.497 flat angles C4'-P-C4' energy: -12.502 flat angles P-C4'-P energy: -8.837 tors. eta vs tors. theta energy: -1.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -126.326260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.326260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.326260 (E_RNA) where: Base-Base interactions energy: -55.658 where: short stacking energy: -44.895 Base-Backbone interact. energy: -0.155 local terms energy: -70.513445 where: bonds (distance) C4'-P energy: -14.977 bonds (distance) P-C4' energy: -19.019 flat angles C4'-P-C4' energy: -17.446 flat angles P-C4'-P energy: -11.069 tors. eta vs tors. theta energy: -8.002 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: 29 Temperature: 1.350000 Total energy: -146.804569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.804569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.804569 (E_RNA) where: Base-Base interactions energy: -87.838 where: short stacking energy: -52.607 Base-Backbone interact. energy: -0.383 local terms energy: -58.583529 where: bonds (distance) C4'-P energy: -17.008 bonds (distance) P-C4' energy: -16.578 flat angles C4'-P-C4' energy: -13.494 flat angles P-C4'-P energy: -5.659 tors. eta vs tors. theta energy: -5.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -265.641823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.641823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.641823 (E_RNA) where: Base-Base interactions energy: -184.853 where: short stacking energy: -85.781 Base-Backbone interact. energy: 0.201 local terms energy: -80.989863 where: bonds (distance) C4'-P energy: -16.086 bonds (distance) P-C4' energy: -16.473 flat angles C4'-P-C4' energy: -18.129 flat angles P-C4'-P energy: -13.776 tors. eta vs tors. theta energy: -16.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -255.246420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.246420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.246420 (E_RNA) where: Base-Base interactions energy: -181.469 where: short stacking energy: -87.167 Base-Backbone interact. energy: 0.480 local terms energy: -74.258310 where: bonds (distance) C4'-P energy: -11.445 bonds (distance) P-C4' energy: -20.318 flat angles C4'-P-C4' energy: -15.159 flat angles P-C4'-P energy: -7.719 tors. eta vs tors. theta energy: -19.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -246.830284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.830284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.830284 (E_RNA) where: Base-Base interactions energy: -168.300 where: short stacking energy: -88.714 Base-Backbone interact. energy: -0.010 local terms energy: -78.521071 where: bonds (distance) C4'-P energy: -13.782 bonds (distance) P-C4' energy: -16.468 flat angles C4'-P-C4' energy: -17.722 flat angles P-C4'-P energy: -9.908 tors. eta vs tors. theta energy: -20.641 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: 1 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -235.586031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.586031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.586031 (E_RNA) where: Base-Base interactions energy: -160.946 where: short stacking energy: -79.302 Base-Backbone interact. energy: -0.433 local terms energy: -74.207078 where: bonds (distance) C4'-P energy: -15.958 bonds (distance) P-C4' energy: -15.199 flat angles C4'-P-C4' energy: -15.193 flat angles P-C4'-P energy: -9.244 tors. eta vs tors. theta energy: -18.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -216.146312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.146312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.146312 (E_RNA) where: Base-Base interactions energy: -147.952 where: short stacking energy: -68.309 Base-Backbone interact. energy: -0.115 local terms energy: -68.079350 where: bonds (distance) C4'-P energy: -17.694 bonds (distance) P-C4' energy: -13.163 flat angles C4'-P-C4' energy: -13.871 flat angles P-C4'-P energy: -9.873 tors. eta vs tors. theta energy: -13.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -186.038187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.038187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.038187 (E_RNA) where: Base-Base interactions energy: -115.340 where: short stacking energy: -56.837 Base-Backbone interact. energy: -0.227 local terms energy: -70.470856 where: bonds (distance) C4'-P energy: -18.255 bonds (distance) P-C4' energy: -19.503 flat angles C4'-P-C4' energy: -14.276 flat angles P-C4'-P energy: -9.190 tors. eta vs tors. theta energy: -9.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -198.204789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.204789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.204789 (E_RNA) where: Base-Base interactions energy: -137.569 where: short stacking energy: -73.623 Base-Backbone interact. energy: -0.385 local terms energy: -60.250916 where: bonds (distance) C4'-P energy: -10.443 bonds (distance) P-C4' energy: -11.004 flat angles C4'-P-C4' energy: -14.129 flat angles P-C4'-P energy: -9.392 tors. eta vs tors. theta energy: -15.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -173.328035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.328035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.328035 (E_RNA) where: Base-Base interactions energy: -112.720 where: short stacking energy: -57.131 Base-Backbone interact. energy: 0.751 local terms energy: -61.359017 where: bonds (distance) C4'-P energy: -11.939 bonds (distance) P-C4' energy: -17.387 flat angles C4'-P-C4' energy: -13.458 flat angles P-C4'-P energy: -12.338 tors. eta vs tors. theta energy: -6.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -170.682864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.682864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.682864 (E_RNA) where: Base-Base interactions energy: -109.959 where: short stacking energy: -40.270 Base-Backbone interact. energy: -0.343 local terms energy: -60.380555 where: bonds (distance) C4'-P energy: -17.915 bonds (distance) P-C4' energy: -15.694 flat angles C4'-P-C4' energy: -14.923 flat angles P-C4'-P energy: -8.232 tors. eta vs tors. theta energy: -3.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -185.294060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.294060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.294060 (E_RNA) where: Base-Base interactions energy: -133.306 where: short stacking energy: -58.945 Base-Backbone interact. energy: 0.284 local terms energy: -52.272622 where: bonds (distance) C4'-P energy: -9.718 bonds (distance) P-C4' energy: -18.263 flat angles C4'-P-C4' energy: -8.956 flat angles P-C4'-P energy: -9.158 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: 1, replica: 8 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -254.303642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.303642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.303642 (E_RNA) where: Base-Base interactions energy: -176.017 where: short stacking energy: -79.894 Base-Backbone interact. energy: 0.914 local terms energy: -79.200322 where: bonds (distance) C4'-P energy: -14.625 bonds (distance) P-C4' energy: -18.924 flat angles C4'-P-C4' energy: -16.550 flat angles P-C4'-P energy: -15.573 tors. eta vs tors. theta energy: -13.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -262.247201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.247201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.247201 (E_RNA) where: Base-Base interactions energy: -176.387 where: short stacking energy: -87.818 Base-Backbone interact. energy: 0.148 local terms energy: -86.008208 where: bonds (distance) C4'-P energy: -18.103 bonds (distance) P-C4' energy: -16.445 flat angles C4'-P-C4' energy: -20.350 flat angles P-C4'-P energy: -8.496 tors. eta vs tors. theta energy: -22.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -254.172130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.172130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.172130 (E_RNA) where: Base-Base interactions energy: -177.039 where: short stacking energy: -79.477 Base-Backbone interact. energy: -1.457 local terms energy: -75.676362 where: bonds (distance) C4'-P energy: -16.146 bonds (distance) P-C4' energy: -18.040 flat angles C4'-P-C4' energy: -16.234 flat angles P-C4'-P energy: -9.653 tors. eta vs tors. theta energy: -15.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -216.678894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.678894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.678894 (E_RNA) where: Base-Base interactions energy: -144.233 where: short stacking energy: -74.049 Base-Backbone interact. energy: -0.177 local terms energy: -72.268915 where: bonds (distance) C4'-P energy: -17.737 bonds (distance) P-C4' energy: -12.929 flat angles C4'-P-C4' energy: -19.525 flat angles P-C4'-P energy: -9.743 tors. eta vs tors. theta energy: -12.335 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: 1 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -224.328205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.328205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.328205 (E_RNA) where: Base-Base interactions energy: -153.079 where: short stacking energy: -69.073 Base-Backbone interact. energy: -0.021 local terms energy: -71.228510 where: bonds (distance) C4'-P energy: -12.057 bonds (distance) P-C4' energy: -19.586 flat angles C4'-P-C4' energy: -16.188 flat angles P-C4'-P energy: -9.936 tors. eta vs tors. theta energy: -13.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -194.562737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.562737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.562737 (E_RNA) where: Base-Base interactions energy: -131.787 where: short stacking energy: -64.353 Base-Backbone interact. energy: -0.247 local terms energy: -62.528727 where: bonds (distance) C4'-P energy: -18.113 bonds (distance) P-C4' energy: -13.299 flat angles C4'-P-C4' energy: -15.785 flat angles P-C4'-P energy: -6.582 tors. eta vs tors. theta energy: -8.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -170.797774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.797774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.797774 (E_RNA) where: Base-Base interactions energy: -106.296 where: short stacking energy: -66.695 Base-Backbone interact. energy: -0.108 local terms energy: -64.394059 where: bonds (distance) C4'-P energy: -10.087 bonds (distance) P-C4' energy: -16.452 flat angles C4'-P-C4' energy: -17.233 flat angles P-C4'-P energy: -5.977 tors. eta vs tors. theta energy: -14.644 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: 31 Temperature: 1.250000 Total energy: -196.368672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.368672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.368672 (E_RNA) where: Base-Base interactions energy: -130.986 where: short stacking energy: -52.504 Base-Backbone interact. energy: -0.590 local terms energy: -64.792606 where: bonds (distance) C4'-P energy: -15.961 bonds (distance) P-C4' energy: -21.103 flat angles C4'-P-C4' energy: -15.614 flat angles P-C4'-P energy: -7.128 tors. eta vs tors. theta energy: -4.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -189.975151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.975151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.975151 (E_RNA) where: Base-Base interactions energy: -130.298 where: short stacking energy: -59.873 Base-Backbone interact. energy: -0.423 local terms energy: -59.253670 where: bonds (distance) C4'-P energy: -12.069 bonds (distance) P-C4' energy: -18.083 flat angles C4'-P-C4' energy: -12.269 flat angles P-C4'-P energy: -5.993 tors. eta vs tors. theta energy: -10.841 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: 7 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -203.784132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.784132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.784132 (E_RNA) where: Base-Base interactions energy: -135.255 where: short stacking energy: -64.306 Base-Backbone interact. energy: -0.181 local terms energy: -68.348071 where: bonds (distance) C4'-P energy: -15.158 bonds (distance) P-C4' energy: -13.988 flat angles C4'-P-C4' energy: -19.918 flat angles P-C4'-P energy: -6.166 tors. eta vs tors. theta energy: -13.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -269.272503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.272503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.272503 (E_RNA) where: Base-Base interactions energy: -187.202 where: short stacking energy: -89.379 Base-Backbone interact. energy: -1.059 local terms energy: -81.011465 where: bonds (distance) C4'-P energy: -15.693 bonds (distance) P-C4' energy: -14.472 flat angles C4'-P-C4' energy: -16.723 flat angles P-C4'-P energy: -15.016 tors. eta vs tors. theta energy: -19.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -258.668390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.668390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.668390 (E_RNA) where: Base-Base interactions energy: -174.983 where: short stacking energy: -88.312 Base-Backbone interact. energy: -0.670 local terms energy: -83.015481 where: bonds (distance) C4'-P energy: -16.069 bonds (distance) P-C4' energy: -20.348 flat angles C4'-P-C4' energy: -17.708 flat angles P-C4'-P energy: -7.493 tors. eta vs tors. theta energy: -21.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -251.641728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.641728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.641728 (E_RNA) where: Base-Base interactions energy: -175.824 where: short stacking energy: -77.699 Base-Backbone interact. energy: -0.065 local terms energy: -75.752924 where: bonds (distance) C4'-P energy: -17.626 bonds (distance) P-C4' energy: -17.576 flat angles C4'-P-C4' energy: -16.023 flat angles P-C4'-P energy: -8.733 tors. eta vs tors. theta energy: -15.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -220.811343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.811343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.811343 (E_RNA) where: Base-Base interactions energy: -155.981 where: short stacking energy: -82.400 Base-Backbone interact. energy: -0.303 local terms energy: -64.527878 where: bonds (distance) C4'-P energy: -16.411 bonds (distance) P-C4' energy: -14.416 flat angles C4'-P-C4' energy: -12.116 flat angles P-C4'-P energy: -6.688 tors. eta vs tors. theta energy: -14.897 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: 1 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -209.453671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.453671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.453671 (E_RNA) where: Base-Base interactions energy: -143.459 where: short stacking energy: -61.616 Base-Backbone interact. energy: -0.644 local terms energy: -65.350332 where: bonds (distance) C4'-P energy: -16.984 bonds (distance) P-C4' energy: -15.335 flat angles C4'-P-C4' energy: -11.525 flat angles P-C4'-P energy: -10.835 tors. eta vs tors. theta energy: -10.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -208.480323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.480323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.480323 (E_RNA) where: Base-Base interactions energy: -134.341 where: short stacking energy: -65.599 Base-Backbone interact. energy: -0.215 local terms energy: -73.924632 where: bonds (distance) C4'-P energy: -15.104 bonds (distance) P-C4' energy: -15.537 flat angles C4'-P-C4' energy: -16.311 flat angles P-C4'-P energy: -13.358 tors. eta vs tors. theta energy: -13.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -217.685855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.685855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.685855 (E_RNA) where: Base-Base interactions energy: -143.409 where: short stacking energy: -67.102 Base-Backbone interact. energy: -0.104 local terms energy: -74.173224 where: bonds (distance) C4'-P energy: -17.912 bonds (distance) P-C4' energy: -16.907 flat angles C4'-P-C4' energy: -14.714 flat angles P-C4'-P energy: -12.638 tors. eta vs tors. theta energy: -12.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -163.530724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.530724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.530724 (E_RNA) where: Base-Base interactions energy: -100.184 where: short stacking energy: -56.250 Base-Backbone interact. energy: -0.058 local terms energy: -63.288465 where: bonds (distance) C4'-P energy: -15.962 bonds (distance) P-C4' energy: -13.636 flat angles C4'-P-C4' energy: -16.660 flat angles P-C4'-P energy: -7.619 tors. eta vs tors. theta energy: -9.410 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: 10 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -216.679864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.679864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.679864 (E_RNA) where: Base-Base interactions energy: -143.299 where: short stacking energy: -65.223 Base-Backbone interact. energy: -0.445 local terms energy: -72.935126 where: bonds (distance) C4'-P energy: -17.770 bonds (distance) P-C4' energy: -13.043 flat angles C4'-P-C4' energy: -18.187 flat angles P-C4'-P energy: -10.843 tors. eta vs tors. theta energy: -13.092 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: 10, replica: 7 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -209.155755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.155755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.155755 (E_RNA) where: Base-Base interactions energy: -147.482 where: short stacking energy: -54.152 Base-Backbone interact. energy: -0.122 local terms energy: -61.551617 where: bonds (distance) C4'-P energy: -13.420 bonds (distance) P-C4' energy: -15.694 flat angles C4'-P-C4' energy: -16.248 flat angles P-C4'-P energy: -7.607 tors. eta vs tors. theta energy: -8.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -265.289605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.289605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.289605 (E_RNA) where: Base-Base interactions energy: -187.367 where: short stacking energy: -79.893 Base-Backbone interact. energy: 0.667 local terms energy: -78.589138 where: bonds (distance) C4'-P energy: -15.966 bonds (distance) P-C4' energy: -16.367 flat angles C4'-P-C4' energy: -18.846 flat angles P-C4'-P energy: -9.602 tors. eta vs tors. theta energy: -17.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -247.057785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.057785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.057785 (E_RNA) where: Base-Base interactions energy: -163.415 where: short stacking energy: -81.549 Base-Backbone interact. energy: -0.858 local terms energy: -82.785160 where: bonds (distance) C4'-P energy: -16.762 bonds (distance) P-C4' energy: -14.248 flat angles C4'-P-C4' energy: -17.183 flat angles P-C4'-P energy: -12.736 tors. eta vs tors. theta energy: -21.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -255.364673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.364673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.364673 (E_RNA) where: Base-Base interactions energy: -182.780 where: short stacking energy: -85.832 Base-Backbone interact. energy: -0.556 local terms energy: -72.028349 where: bonds (distance) C4'-P energy: -13.631 bonds (distance) P-C4' energy: -14.755 flat angles C4'-P-C4' energy: -17.769 flat angles P-C4'-P energy: -9.554 tors. eta vs tors. theta energy: -16.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -229.871959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.871959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.871959 (E_RNA) where: Base-Base interactions energy: -156.565 where: short stacking energy: -79.204 Base-Backbone interact. energy: 0.064 local terms energy: -73.370687 where: bonds (distance) C4'-P energy: -9.743 bonds (distance) P-C4' energy: -16.622 flat angles C4'-P-C4' energy: -19.652 flat angles P-C4'-P energy: -10.170 tors. eta vs tors. theta energy: -17.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -226.073010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.073010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.073010 (E_RNA) where: Base-Base interactions energy: -152.330 where: short stacking energy: -74.920 Base-Backbone interact. energy: 1.688 local terms energy: -75.431230 where: bonds (distance) C4'-P energy: -16.798 bonds (distance) P-C4' energy: -13.860 flat angles C4'-P-C4' energy: -19.677 flat angles P-C4'-P energy: -8.964 tors. eta vs tors. theta energy: -16.131 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: 6, replica: 3 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -235.302600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.302600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.302600 (E_RNA) where: Base-Base interactions energy: -155.722 where: short stacking energy: -78.922 Base-Backbone interact. energy: -0.091 local terms energy: -79.489965 where: bonds (distance) C4'-P energy: -16.996 bonds (distance) P-C4' energy: -15.064 flat angles C4'-P-C4' energy: -17.644 flat angles P-C4'-P energy: -11.779 tors. eta vs tors. theta energy: -18.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -165.202640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.202640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.202640 (E_RNA) where: Base-Base interactions energy: -95.535 where: short stacking energy: -58.552 Base-Backbone interact. energy: -1.077 local terms energy: -68.590601 where: bonds (distance) C4'-P energy: -8.096 bonds (distance) P-C4' energy: -19.680 flat angles C4'-P-C4' energy: -16.380 flat angles P-C4'-P energy: -11.309 tors. eta vs tors. theta energy: -13.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -218.527938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.527938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.527938 (E_RNA) where: Base-Base interactions energy: -143.922 where: short stacking energy: -60.853 Base-Backbone interact. energy: -0.128 local terms energy: -74.477904 where: bonds (distance) C4'-P energy: -17.274 bonds (distance) P-C4' energy: -17.029 flat angles C4'-P-C4' energy: -14.120 flat angles P-C4'-P energy: -8.879 tors. eta vs tors. theta energy: -17.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -159.806284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.806284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.806284 (E_RNA) where: Base-Base interactions energy: -95.624 where: short stacking energy: -56.680 Base-Backbone interact. energy: -0.243 local terms energy: -63.938582 where: bonds (distance) C4'-P energy: -11.910 bonds (distance) P-C4' energy: -18.822 flat angles C4'-P-C4' energy: -13.781 flat angles P-C4'-P energy: -10.355 tors. eta vs tors. theta energy: -9.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -203.216486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.216486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.216486 (E_RNA) where: Base-Base interactions energy: -134.925 where: short stacking energy: -64.119 Base-Backbone interact. energy: -0.025 local terms energy: -68.266751 where: bonds (distance) C4'-P energy: -14.555 bonds (distance) P-C4' energy: -14.052 flat angles C4'-P-C4' energy: -12.987 flat angles P-C4'-P energy: -12.190 tors. eta vs tors. theta energy: -14.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -270.674144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.674144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.674144 (E_RNA) where: Base-Base interactions energy: -185.980 where: short stacking energy: -80.125 Base-Backbone interact. energy: -0.181 local terms energy: -84.513327 where: bonds (distance) C4'-P energy: -15.591 bonds (distance) P-C4' energy: -17.955 flat angles C4'-P-C4' energy: -16.415 flat angles P-C4'-P energy: -15.408 tors. eta vs tors. theta energy: -19.144 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: 6 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -252.239755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.239755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.239755 (E_RNA) where: Base-Base interactions energy: -167.203 where: short stacking energy: -87.203 Base-Backbone interact. energy: -0.106 local terms energy: -84.930505 where: bonds (distance) C4'-P energy: -14.789 bonds (distance) P-C4' energy: -19.232 flat angles C4'-P-C4' energy: -17.437 flat angles P-C4'-P energy: -14.148 tors. eta vs tors. theta energy: -19.324 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: 34 Temperature: 1.000000 Total energy: -252.317782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.317782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.317782 (E_RNA) where: Base-Base interactions energy: -175.223 where: short stacking energy: -83.999 Base-Backbone interact. energy: -0.917 local terms energy: -76.178319 where: bonds (distance) C4'-P energy: -14.728 bonds (distance) P-C4' energy: -14.579 flat angles C4'-P-C4' energy: -16.399 flat angles P-C4'-P energy: -10.310 tors. eta vs tors. theta energy: -20.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -245.111611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.111611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.111611 (E_RNA) where: Base-Base interactions energy: -178.463 where: short stacking energy: -80.000 Base-Backbone interact. energy: -0.336 local terms energy: -66.312311 where: bonds (distance) C4'-P energy: -16.541 bonds (distance) P-C4' energy: -10.965 flat angles C4'-P-C4' energy: -12.389 flat angles P-C4'-P energy: -9.947 tors. eta vs tors. theta energy: -16.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -242.730494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.730494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.730494 (E_RNA) where: Base-Base interactions energy: -167.932 where: short stacking energy: -81.236 Base-Backbone interact. energy: -0.166 local terms energy: -74.632553 where: bonds (distance) C4'-P energy: -14.297 bonds (distance) P-C4' energy: -20.521 flat angles C4'-P-C4' energy: -15.682 flat angles P-C4'-P energy: -6.194 tors. eta vs tors. theta energy: -17.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -205.856537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.856537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.856537 (E_RNA) where: Base-Base interactions energy: -138.461 where: short stacking energy: -66.332 Base-Backbone interact. energy: 0.527 local terms energy: -67.921993 where: bonds (distance) C4'-P energy: -15.896 bonds (distance) P-C4' energy: -15.599 flat angles C4'-P-C4' energy: -15.608 flat angles P-C4'-P energy: -8.287 tors. eta vs tors. theta energy: -12.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -225.149825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.149825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.149825 (E_RNA) where: Base-Base interactions energy: -156.455 where: short stacking energy: -71.653 Base-Backbone interact. energy: -0.408 local terms energy: -68.286563 where: bonds (distance) C4'-P energy: -15.238 bonds (distance) P-C4' energy: -16.837 flat angles C4'-P-C4' energy: -15.928 flat angles P-C4'-P energy: -6.086 tors. eta vs tors. theta energy: -14.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -163.617290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.617290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.617290 (E_RNA) where: Base-Base interactions energy: -94.009 where: short stacking energy: -61.194 Base-Backbone interact. energy: -1.465 local terms energy: -68.143610 where: bonds (distance) C4'-P energy: -16.244 bonds (distance) P-C4' energy: -16.994 flat angles C4'-P-C4' energy: -12.514 flat angles P-C4'-P energy: -8.852 tors. eta vs tors. theta energy: -13.540 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: 7 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -202.641974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.641974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.641974 (E_RNA) where: Base-Base interactions energy: -138.200 where: short stacking energy: -59.902 Base-Backbone interact. energy: -0.009 local terms energy: -64.432994 where: bonds (distance) C4'-P energy: -13.820 bonds (distance) P-C4' energy: -14.307 flat angles C4'-P-C4' energy: -9.985 flat angles P-C4'-P energy: -8.094 tors. eta vs tors. theta energy: -18.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -162.386342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.386342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.386342 (E_RNA) where: Base-Base interactions energy: -97.091 where: short stacking energy: -59.157 Base-Backbone interact. energy: -0.028 local terms energy: -65.267746 where: bonds (distance) C4'-P energy: -15.304 bonds (distance) P-C4' energy: -16.090 flat angles C4'-P-C4' energy: -12.212 flat angles P-C4'-P energy: -8.422 tors. eta vs tors. theta energy: -13.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -261.200807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.200807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.200807 (E_RNA) where: Base-Base interactions energy: -177.955 where: short stacking energy: -85.257 Base-Backbone interact. energy: -2.053 local terms energy: -81.192067 where: bonds (distance) C4'-P energy: -15.461 bonds (distance) P-C4' energy: -17.868 flat angles C4'-P-C4' energy: -19.882 flat angles P-C4'-P energy: -13.309 tors. eta vs tors. theta energy: -14.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -255.548055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.548055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.548055 (E_RNA) where: Base-Base interactions energy: -175.925 where: short stacking energy: -84.502 Base-Backbone interact. energy: -0.370 local terms energy: -79.253480 where: bonds (distance) C4'-P energy: -16.219 bonds (distance) P-C4' energy: -14.509 flat angles C4'-P-C4' energy: -19.145 flat angles P-C4'-P energy: -9.785 tors. eta vs tors. theta energy: -19.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -243.661452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.661452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.661452 (E_RNA) where: Base-Base interactions energy: -163.460 where: short stacking energy: -82.388 Base-Backbone interact. energy: -1.870 local terms energy: -78.330943 where: bonds (distance) C4'-P energy: -16.598 bonds (distance) P-C4' energy: -17.330 flat angles C4'-P-C4' energy: -18.548 flat angles P-C4'-P energy: -9.897 tors. eta vs tors. theta energy: -15.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -245.741336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.741336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.741336 (E_RNA) where: Base-Base interactions energy: -161.994 where: short stacking energy: -83.357 Base-Backbone interact. energy: -0.007 local terms energy: -83.740625 where: bonds (distance) C4'-P energy: -15.163 bonds (distance) P-C4' energy: -19.954 flat angles C4'-P-C4' energy: -19.149 flat angles P-C4'-P energy: -9.226 tors. eta vs tors. theta energy: -20.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -238.436369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.436369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.436369 (E_RNA) where: Base-Base interactions energy: -161.736 where: short stacking energy: -85.836 Base-Backbone interact. energy: -0.095 local terms energy: -76.605178 where: bonds (distance) C4'-P energy: -11.690 bonds (distance) P-C4' energy: -17.580 flat angles C4'-P-C4' energy: -18.187 flat angles P-C4'-P energy: -8.365 tors. eta vs tors. theta energy: -20.784 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: 10 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -227.749505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.749505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.749505 (E_RNA) where: Base-Base interactions energy: -143.972 where: short stacking energy: -62.689 Base-Backbone interact. energy: -0.365 local terms energy: -83.412193 where: bonds (distance) C4'-P energy: -17.471 bonds (distance) P-C4' energy: -16.178 flat angles C4'-P-C4' energy: -19.529 flat angles P-C4'-P energy: -11.719 tors. eta vs tors. theta energy: -18.516 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: 9 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -215.975032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.975032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.975032 (E_RNA) where: Base-Base interactions energy: -153.626 where: short stacking energy: -73.059 Base-Backbone interact. energy: -0.351 local terms energy: -61.998976 where: bonds (distance) C4'-P energy: -7.939 bonds (distance) P-C4' energy: -17.326 flat angles C4'-P-C4' energy: -16.225 flat angles P-C4'-P energy: -6.701 tors. eta vs tors. theta energy: -13.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -212.456388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.456388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.456388 (E_RNA) where: Base-Base interactions energy: -146.607 where: short stacking energy: -62.243 Base-Backbone interact. energy: -0.476 local terms energy: -65.372774 where: bonds (distance) C4'-P energy: -12.442 bonds (distance) P-C4' energy: -18.151 flat angles C4'-P-C4' energy: -15.871 flat angles P-C4'-P energy: -5.598 tors. eta vs tors. theta energy: -13.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -120.660276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.660276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.660276 (E_RNA) where: Base-Base interactions energy: -74.428 where: short stacking energy: -44.331 Base-Backbone interact. energy: 5.204 local terms energy: -51.436978 where: bonds (distance) C4'-P energy: -13.386 bonds (distance) P-C4' energy: -16.136 flat angles C4'-P-C4' energy: -8.284 flat angles P-C4'-P energy: -10.161 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: 10, replica: 4 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -160.600719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.600719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.600719 (E_RNA) where: Base-Base interactions energy: -93.330 where: short stacking energy: -51.327 Base-Backbone interact. energy: -0.145 local terms energy: -67.126509 where: bonds (distance) C4'-P energy: -16.450 bonds (distance) P-C4' energy: -13.758 flat angles C4'-P-C4' energy: -15.858 flat angles P-C4'-P energy: -10.476 tors. eta vs tors. theta energy: -10.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -270.917784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.917784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.917784 (E_RNA) where: Base-Base interactions energy: -185.952 where: short stacking energy: -93.084 Base-Backbone interact. energy: 0.869 local terms energy: -85.834880 where: bonds (distance) C4'-P energy: -17.345 bonds (distance) P-C4' energy: -18.634 flat angles C4'-P-C4' energy: -18.940 flat angles P-C4'-P energy: -9.983 tors. eta vs tors. theta energy: -20.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -267.960045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.960045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.960045 (E_RNA) where: Base-Base interactions energy: -182.809 where: short stacking energy: -81.962 Base-Backbone interact. energy: -0.516 local terms energy: -84.635184 where: bonds (distance) C4'-P energy: -16.273 bonds (distance) P-C4' energy: -16.332 flat angles C4'-P-C4' energy: -18.811 flat angles P-C4'-P energy: -15.457 tors. eta vs tors. theta energy: -17.763 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: 36 Temperature: 1.000000 Total energy: -243.170870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.170870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.170870 (E_RNA) where: Base-Base interactions energy: -164.558 where: short stacking energy: -82.773 Base-Backbone interact. energy: -0.589 local terms energy: -78.023048 where: bonds (distance) C4'-P energy: -13.043 bonds (distance) P-C4' energy: -17.560 flat angles C4'-P-C4' energy: -19.986 flat angles P-C4'-P energy: -10.101 tors. eta vs tors. theta energy: -17.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -239.300391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.300391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.300391 (E_RNA) where: Base-Base interactions energy: -159.364 where: short stacking energy: -84.130 Base-Backbone interact. energy: -0.188 local terms energy: -79.747755 where: bonds (distance) C4'-P energy: -14.397 bonds (distance) P-C4' energy: -18.350 flat angles C4'-P-C4' energy: -18.032 flat angles P-C4'-P energy: -12.733 tors. eta vs tors. theta energy: -16.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -231.888025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.888025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.888025 (E_RNA) where: Base-Base interactions energy: -156.514 where: short stacking energy: -72.799 Base-Backbone interact. energy: -0.008 local terms energy: -75.366299 where: bonds (distance) C4'-P energy: -14.786 bonds (distance) P-C4' energy: -19.215 flat angles C4'-P-C4' energy: -17.142 flat angles P-C4'-P energy: -5.963 tors. eta vs tors. theta energy: -18.260 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: 2 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -222.700830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.700830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.700830 (E_RNA) where: Base-Base interactions energy: -158.599 where: short stacking energy: -78.992 Base-Backbone interact. energy: -0.045 local terms energy: -64.056592 where: bonds (distance) C4'-P energy: -13.407 bonds (distance) P-C4' energy: -9.776 flat angles C4'-P-C4' energy: -16.387 flat angles P-C4'-P energy: -11.077 tors. eta vs tors. theta energy: -13.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -221.871592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.871592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.871592 (E_RNA) where: Base-Base interactions energy: -140.575 where: short stacking energy: -67.434 Base-Backbone interact. energy: -1.094 local terms energy: -80.202113 where: bonds (distance) C4'-P energy: -14.105 bonds (distance) P-C4' energy: -18.393 flat angles C4'-P-C4' energy: -15.947 flat angles P-C4'-P energy: -12.250 tors. eta vs tors. theta energy: -19.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -203.903624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.903624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.903624 (E_RNA) where: Base-Base interactions energy: -138.894 where: short stacking energy: -68.919 Base-Backbone interact. energy: -0.656 local terms energy: -64.353406 where: bonds (distance) C4'-P energy: -14.542 bonds (distance) P-C4' energy: -16.963 flat angles C4'-P-C4' energy: -10.732 flat angles P-C4'-P energy: -9.748 tors. eta vs tors. theta energy: -12.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -163.954549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.954549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.954549 (E_RNA) where: Base-Base interactions energy: -99.024 where: short stacking energy: -59.148 Base-Backbone interact. energy: -0.117 local terms energy: -64.812937 where: bonds (distance) C4'-P energy: -14.111 bonds (distance) P-C4' energy: -11.872 flat angles C4'-P-C4' energy: -12.534 flat angles P-C4'-P energy: -11.283 tors. eta vs tors. theta energy: -15.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -107.987794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.987794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.987794 (E_RNA) where: Base-Base interactions energy: -50.940 where: short stacking energy: -34.124 Base-Backbone interact. energy: -0.143 local terms energy: -56.904911 where: bonds (distance) C4'-P energy: -14.666 bonds (distance) P-C4' energy: -18.098 flat angles C4'-P-C4' energy: -16.628 flat angles P-C4'-P energy: -0.579 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: 1, replica: 6 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -263.592852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.592852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.592852 (E_RNA) where: Base-Base interactions energy: -175.879 where: short stacking energy: -92.681 Base-Backbone interact. energy: -0.183 local terms energy: -87.531036 where: bonds (distance) C4'-P energy: -16.566 bonds (distance) P-C4' energy: -13.721 flat angles C4'-P-C4' energy: -20.091 flat angles P-C4'-P energy: -13.339 tors. eta vs tors. theta energy: -23.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -263.654677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.654677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.654677 (E_RNA) where: Base-Base interactions energy: -179.233 where: short stacking energy: -86.131 Base-Backbone interact. energy: -0.323 local terms energy: -84.098819 where: bonds (distance) C4'-P energy: -16.372 bonds (distance) P-C4' energy: -16.402 flat angles C4'-P-C4' energy: -19.430 flat angles P-C4'-P energy: -13.438 tors. eta vs tors. theta energy: -18.457 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: 3, replica: 3 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -242.058334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.058334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.058334 (E_RNA) where: Base-Base interactions energy: -168.230 where: short stacking energy: -88.010 Base-Backbone interact. energy: -0.108 local terms energy: -73.719807 where: bonds (distance) C4'-P energy: -14.454 bonds (distance) P-C4' energy: -18.588 flat angles C4'-P-C4' energy: -14.706 flat angles P-C4'-P energy: -7.426 tors. eta vs tors. theta energy: -18.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -239.206705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.206705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.206705 (E_RNA) where: Base-Base interactions energy: -153.894 where: short stacking energy: -75.684 Base-Backbone interact. energy: -0.012 local terms energy: -85.300236 where: bonds (distance) C4'-P energy: -16.128 bonds (distance) P-C4' energy: -19.023 flat angles C4'-P-C4' energy: -17.631 flat angles P-C4'-P energy: -12.384 tors. eta vs tors. theta energy: -20.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -217.373497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.373497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.373497 (E_RNA) where: Base-Base interactions energy: -145.794 where: short stacking energy: -73.185 Base-Backbone interact. energy: -0.019 local terms energy: -71.560587 where: bonds (distance) C4'-P energy: -15.324 bonds (distance) P-C4' energy: -21.153 flat angles C4'-P-C4' energy: -14.198 flat angles P-C4'-P energy: -5.699 tors. eta vs tors. theta energy: -15.187 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: 7 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -224.880358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.880358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.880358 (E_RNA) where: Base-Base interactions energy: -156.542 where: short stacking energy: -75.720 Base-Backbone interact. energy: -0.642 local terms energy: -67.696408 where: bonds (distance) C4'-P energy: -12.633 bonds (distance) P-C4' energy: -18.305 flat angles C4'-P-C4' energy: -13.613 flat angles P-C4'-P energy: -7.353 tors. eta vs tors. theta energy: -15.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -228.267812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.267812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.267812 (E_RNA) where: Base-Base interactions energy: -159.719 where: short stacking energy: -76.071 Base-Backbone interact. energy: -1.262 local terms energy: -67.286143 where: bonds (distance) C4'-P energy: -11.010 bonds (distance) P-C4' energy: -10.365 flat angles C4'-P-C4' energy: -15.531 flat angles P-C4'-P energy: -12.904 tors. eta vs tors. theta energy: -17.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -154.890248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.890248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.890248 (E_RNA) where: Base-Base interactions energy: -90.094 where: short stacking energy: -46.835 Base-Backbone interact. energy: -0.400 local terms energy: -64.396055 where: bonds (distance) C4'-P energy: -16.160 bonds (distance) P-C4' energy: -18.181 flat angles C4'-P-C4' energy: -13.192 flat angles P-C4'-P energy: -10.994 tors. eta vs tors. theta energy: -5.868 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: 9 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -174.972174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.972174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.972174 (E_RNA) where: Base-Base interactions energy: -115.886 where: short stacking energy: -59.273 Base-Backbone interact. energy: -0.485 local terms energy: -58.601747 where: bonds (distance) C4'-P energy: -16.421 bonds (distance) P-C4' energy: -16.570 flat angles C4'-P-C4' energy: -12.744 flat angles P-C4'-P energy: -6.159 tors. eta vs tors. theta energy: -6.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -101.937786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.937786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.937786 (E_RNA) where: Base-Base interactions energy: -46.248 where: short stacking energy: -25.568 Base-Backbone interact. energy: 1.065 local terms energy: -56.754268 where: bonds (distance) C4'-P energy: -13.196 bonds (distance) P-C4' energy: -13.052 flat angles C4'-P-C4' energy: -15.768 flat angles P-C4'-P energy: -10.951 tors. eta vs tors. theta energy: -3.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -268.561218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.561218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.561218 (E_RNA) where: Base-Base interactions energy: -192.591 where: short stacking energy: -82.587 Base-Backbone interact. energy: -0.309 local terms energy: -75.662051 where: bonds (distance) C4'-P energy: -12.496 bonds (distance) P-C4' energy: -14.550 flat angles C4'-P-C4' energy: -15.412 flat angles P-C4'-P energy: -14.958 tors. eta vs tors. theta energy: -18.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -256.561278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.561278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.561278 (E_RNA) where: Base-Base interactions energy: -174.358 where: short stacking energy: -89.727 Base-Backbone interact. energy: -0.123 local terms energy: -82.080441 where: bonds (distance) C4'-P energy: -17.568 bonds (distance) P-C4' energy: -15.166 flat angles C4'-P-C4' energy: -14.724 flat angles P-C4'-P energy: -13.090 tors. eta vs tors. theta energy: -21.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -234.734329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.734329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.734329 (E_RNA) where: Base-Base interactions energy: -156.785 where: short stacking energy: -82.917 Base-Backbone interact. energy: -0.746 local terms energy: -77.203280 where: bonds (distance) C4'-P energy: -17.821 bonds (distance) P-C4' energy: -17.427 flat angles C4'-P-C4' energy: -16.850 flat angles P-C4'-P energy: -6.375 tors. eta vs tors. theta energy: -18.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -242.468199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.468199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.468199 (E_RNA) where: Base-Base interactions energy: -158.768 where: short stacking energy: -80.849 Base-Backbone interact. energy: -0.320 local terms energy: -83.379992 where: bonds (distance) C4'-P energy: -15.671 bonds (distance) P-C4' energy: -18.414 flat angles C4'-P-C4' energy: -17.646 flat angles P-C4'-P energy: -9.137 tors. eta vs tors. theta energy: -22.512 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: 7 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -250.288548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.288548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.288548 (E_RNA) where: Base-Base interactions energy: -169.689 where: short stacking energy: -88.163 Base-Backbone interact. energy: -0.307 local terms energy: -80.292882 where: bonds (distance) C4'-P energy: -16.120 bonds (distance) P-C4' energy: -19.883 flat angles C4'-P-C4' energy: -14.530 flat angles P-C4'-P energy: -9.697 tors. eta vs tors. theta energy: -20.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -216.386334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.386334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.386334 (E_RNA) where: Base-Base interactions energy: -138.808 where: short stacking energy: -67.058 Base-Backbone interact. energy: -0.585 local terms energy: -76.993536 where: bonds (distance) C4'-P energy: -16.716 bonds (distance) P-C4' energy: -18.609 flat angles C4'-P-C4' energy: -18.189 flat angles P-C4'-P energy: -14.682 tors. eta vs tors. theta energy: -8.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -209.236382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.236382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.236382 (E_RNA) where: Base-Base interactions energy: -138.056 where: short stacking energy: -70.685 Base-Backbone interact. energy: -0.587 local terms energy: -70.594047 where: bonds (distance) C4'-P energy: -14.451 bonds (distance) P-C4' energy: -17.667 flat angles C4'-P-C4' energy: -16.646 flat angles P-C4'-P energy: -9.846 tors. eta vs tors. theta energy: -11.984 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: 38 Temperature: 1.250000 Total energy: -182.157964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.157964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.157964 (E_RNA) where: Base-Base interactions energy: -119.759 where: short stacking energy: -65.118 Base-Backbone interact. energy: 0.516 local terms energy: -62.914936 where: bonds (distance) C4'-P energy: -16.185 bonds (distance) P-C4' energy: -16.235 flat angles C4'-P-C4' energy: -13.893 flat angles P-C4'-P energy: -7.556 tors. eta vs tors. theta energy: -9.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -133.631987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.631987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.631987 (E_RNA) where: Base-Base interactions energy: -72.383 where: short stacking energy: -45.887 Base-Backbone interact. energy: -0.071 local terms energy: -61.177595 where: bonds (distance) C4'-P energy: -16.574 bonds (distance) P-C4' energy: -14.963 flat angles C4'-P-C4' energy: -12.508 flat angles P-C4'-P energy: -8.074 tors. eta vs tors. theta energy: -9.059 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: 9 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -167.268710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.268710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.268710 (E_RNA) where: Base-Base interactions energy: -107.590 where: short stacking energy: -65.120 Base-Backbone interact. energy: -0.727 local terms energy: -58.951370 where: bonds (distance) C4'-P energy: -15.784 bonds (distance) P-C4' energy: -7.436 flat angles C4'-P-C4' energy: -16.315 flat angles P-C4'-P energy: -6.715 tors. eta vs tors. theta energy: -12.701 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: 8 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -273.722366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.722366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.722366 (E_RNA) where: Base-Base interactions energy: -187.119 where: short stacking energy: -86.568 Base-Backbone interact. energy: -0.622 local terms energy: -85.981551 where: bonds (distance) C4'-P energy: -17.134 bonds (distance) P-C4' energy: -19.192 flat angles C4'-P-C4' energy: -18.370 flat angles P-C4'-P energy: -14.655 tors. eta vs tors. theta energy: -16.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -256.345796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.345796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.345796 (E_RNA) where: Base-Base interactions energy: -174.410 where: short stacking energy: -91.657 Base-Backbone interact. energy: -0.014 local terms energy: -81.921500 where: bonds (distance) C4'-P energy: -12.936 bonds (distance) P-C4' energy: -19.384 flat angles C4'-P-C4' energy: -18.082 flat angles P-C4'-P energy: -12.638 tors. eta vs tors. theta energy: -18.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -265.020113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.020113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.020113 (E_RNA) where: Base-Base interactions energy: -174.827 where: short stacking energy: -96.871 Base-Backbone interact. energy: -0.540 local terms energy: -89.652634 where: bonds (distance) C4'-P energy: -18.881 bonds (distance) P-C4' energy: -13.713 flat angles C4'-P-C4' energy: -19.494 flat angles P-C4'-P energy: -12.711 tors. eta vs tors. theta energy: -24.854 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: 7 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -262.038777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.038777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.038777 (E_RNA) where: Base-Base interactions energy: -190.066 where: short stacking energy: -79.504 Base-Backbone interact. energy: -0.008 local terms energy: -71.964323 where: bonds (distance) C4'-P energy: -17.007 bonds (distance) P-C4' energy: -15.418 flat angles C4'-P-C4' energy: -17.187 flat angles P-C4'-P energy: -7.715 tors. eta vs tors. theta energy: -14.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -229.183156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.183156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.183156 (E_RNA) where: Base-Base interactions energy: -156.214 where: short stacking energy: -71.856 Base-Backbone interact. energy: -0.246 local terms energy: -72.722917 where: bonds (distance) C4'-P energy: -14.718 bonds (distance) P-C4' energy: -17.958 flat angles C4'-P-C4' energy: -16.474 flat angles P-C4'-P energy: -8.060 tors. eta vs tors. theta energy: -15.513 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: 2 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -220.219349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.219349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.219349 (E_RNA) where: Base-Base interactions energy: -151.451 where: short stacking energy: -68.224 Base-Backbone interact. energy: -0.207 local terms energy: -68.561415 where: bonds (distance) C4'-P energy: -17.522 bonds (distance) P-C4' energy: -15.245 flat angles C4'-P-C4' energy: -15.391 flat angles P-C4'-P energy: -7.418 tors. eta vs tors. theta energy: -12.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -201.508959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.508959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.508959 (E_RNA) where: Base-Base interactions energy: -133.393 where: short stacking energy: -58.099 Base-Backbone interact. energy: -0.267 local terms energy: -67.848949 where: bonds (distance) C4'-P energy: -16.277 bonds (distance) P-C4' energy: -15.021 flat angles C4'-P-C4' energy: -13.919 flat angles P-C4'-P energy: -12.320 tors. eta vs tors. theta energy: -10.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -160.002667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.002667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.002667 (E_RNA) where: Base-Base interactions energy: -100.841 where: short stacking energy: -58.748 Base-Backbone interact. energy: -0.114 local terms energy: -59.047487 where: bonds (distance) C4'-P energy: -16.015 bonds (distance) P-C4' energy: -18.887 flat angles C4'-P-C4' energy: -15.818 flat angles P-C4'-P energy: -0.321 tors. eta vs tors. theta energy: -8.007 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: 39 Temperature: 1.300000 Total energy: -114.840078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.840078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.840078 (E_RNA) where: Base-Base interactions energy: -59.731 where: short stacking energy: -33.572 Base-Backbone interact. energy: 0.349 local terms energy: -55.457661 where: bonds (distance) C4'-P energy: -18.305 bonds (distance) P-C4' energy: -12.858 flat angles C4'-P-C4' energy: -14.931 flat angles P-C4'-P energy: -9.669 tors. eta vs tors. theta energy: 0.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -181.651930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.651930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.651930 (E_RNA) where: Base-Base interactions energy: -105.837 where: short stacking energy: -62.510 Base-Backbone interact. energy: -0.271 local terms energy: -75.544491 where: bonds (distance) C4'-P energy: -16.319 bonds (distance) P-C4' energy: -19.513 flat angles C4'-P-C4' energy: -18.679 flat angles P-C4'-P energy: -10.074 tors. eta vs tors. theta energy: -10.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -259.746105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.746105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.746105 (E_RNA) where: Base-Base interactions energy: -178.688 where: short stacking energy: -87.687 Base-Backbone interact. energy: -0.193 local terms energy: -80.865576 where: bonds (distance) C4'-P energy: -16.969 bonds (distance) P-C4' energy: -18.926 flat angles C4'-P-C4' energy: -15.471 flat angles P-C4'-P energy: -8.382 tors. eta vs tors. theta energy: -21.118 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: 2, replica: 8 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -265.769588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.769588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.769588 (E_RNA) where: Base-Base interactions energy: -182.266 where: short stacking energy: -76.792 Base-Backbone interact. energy: -0.463 local terms energy: -83.040787 where: bonds (distance) C4'-P energy: -17.486 bonds (distance) P-C4' energy: -17.473 flat angles C4'-P-C4' energy: -16.563 flat angles P-C4'-P energy: -14.495 tors. eta vs tors. theta energy: -17.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -267.838181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.838181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.838181 (E_RNA) where: Base-Base interactions energy: -180.198 where: short stacking energy: -82.223 Base-Backbone interact. energy: -1.644 local terms energy: -85.996775 where: bonds (distance) C4'-P energy: -17.448 bonds (distance) P-C4' energy: -19.904 flat angles C4'-P-C4' energy: -18.056 flat angles P-C4'-P energy: -10.562 tors. eta vs tors. theta energy: -20.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -245.821386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.821386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.821386 (E_RNA) where: Base-Base interactions energy: -168.956 where: short stacking energy: -78.436 Base-Backbone interact. energy: -0.674 local terms energy: -76.190821 where: bonds (distance) C4'-P energy: -17.900 bonds (distance) P-C4' energy: -15.285 flat angles C4'-P-C4' energy: -16.721 flat angles P-C4'-P energy: -5.111 tors. eta vs tors. theta energy: -21.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -239.464857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.464857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.464857 (E_RNA) where: Base-Base interactions energy: -158.981 where: short stacking energy: -80.413 Base-Backbone interact. energy: -1.775 local terms energy: -78.709532 where: bonds (distance) C4'-P energy: -19.432 bonds (distance) P-C4' energy: -18.039 flat angles C4'-P-C4' energy: -13.983 flat angles P-C4'-P energy: -10.177 tors. eta vs tors. theta energy: -17.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -216.432150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.432150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.432150 (E_RNA) where: Base-Base interactions energy: -144.161 where: short stacking energy: -68.037 Base-Backbone interact. energy: -0.792 local terms energy: -71.479161 where: bonds (distance) C4'-P energy: -17.357 bonds (distance) P-C4' energy: -12.850 flat angles C4'-P-C4' energy: -18.357 flat angles P-C4'-P energy: -8.795 tors. eta vs tors. theta energy: -14.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -204.960884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.960884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.960884 (E_RNA) where: Base-Base interactions energy: -145.085 where: short stacking energy: -65.858 Base-Backbone interact. energy: -0.157 local terms energy: -59.719158 where: bonds (distance) C4'-P energy: -14.024 bonds (distance) P-C4' energy: -15.520 flat angles C4'-P-C4' energy: -16.442 flat angles P-C4'-P energy: -3.112 tors. eta vs tors. theta energy: -10.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -166.914556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.914556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.914556 (E_RNA) where: Base-Base interactions energy: -98.945 where: short stacking energy: -48.890 Base-Backbone interact. energy: -0.705 local terms energy: -67.264782 where: bonds (distance) C4'-P energy: -17.145 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -18.256 flat angles P-C4'-P energy: -9.868 tors. eta vs tors. theta energy: -8.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -156.019245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.019245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.019245 (E_RNA) where: Base-Base interactions energy: -93.545 where: short stacking energy: -48.223 Base-Backbone interact. energy: -0.752 local terms energy: -61.721549 where: bonds (distance) C4'-P energy: -15.585 bonds (distance) P-C4' energy: -17.150 flat angles C4'-P-C4' energy: -17.562 flat angles P-C4'-P energy: -8.661 tors. eta vs tors. theta energy: -2.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -109.921083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.921083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.921083 (E_RNA) where: Base-Base interactions energy: -51.246 where: short stacking energy: -31.905 Base-Backbone interact. energy: -0.462 local terms energy: -58.213063 where: bonds (distance) C4'-P energy: -11.983 bonds (distance) P-C4' energy: -17.004 flat angles C4'-P-C4' energy: -15.777 flat angles P-C4'-P energy: -9.219 tors. eta vs tors. theta energy: -4.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -261.507485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.507485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.507485 (E_RNA) where: Base-Base interactions energy: -178.660 where: short stacking energy: -87.132 Base-Backbone interact. energy: 0.265 local terms energy: -83.112987 where: bonds (distance) C4'-P energy: -17.652 bonds (distance) P-C4' energy: -20.451 flat angles C4'-P-C4' energy: -15.794 flat angles P-C4'-P energy: -9.491 tors. eta vs tors. theta energy: -19.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -267.334317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.334317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.334317 (E_RNA) where: Base-Base interactions energy: -186.579 where: short stacking energy: -87.372 Base-Backbone interact. energy: -0.218 local terms energy: -80.537425 where: bonds (distance) C4'-P energy: -15.799 bonds (distance) P-C4' energy: -15.317 flat angles C4'-P-C4' energy: -18.252 flat angles P-C4'-P energy: -11.528 tors. eta vs tors. theta energy: -19.642 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: 8 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -257.880797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.880797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.880797 (E_RNA) where: Base-Base interactions energy: -177.717 where: short stacking energy: -83.355 Base-Backbone interact. energy: -0.197 local terms energy: -79.966681 where: bonds (distance) C4'-P energy: -17.113 bonds (distance) P-C4' energy: -18.482 flat angles C4'-P-C4' energy: -11.880 flat angles P-C4'-P energy: -14.870 tors. eta vs tors. theta energy: -17.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -232.525055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.525055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.525055 (E_RNA) where: Base-Base interactions energy: -154.400 where: short stacking energy: -66.415 Base-Backbone interact. energy: -1.095 local terms energy: -77.029527 where: bonds (distance) C4'-P energy: -16.422 bonds (distance) P-C4' energy: -20.365 flat angles C4'-P-C4' energy: -15.031 flat angles P-C4'-P energy: -5.861 tors. eta vs tors. theta energy: -19.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -230.413065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.413065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.413065 (E_RNA) where: Base-Base interactions energy: -153.576 where: short stacking energy: -77.376 Base-Backbone interact. energy: -0.338 local terms energy: -76.498496 where: bonds (distance) C4'-P energy: -15.216 bonds (distance) P-C4' energy: -19.806 flat angles C4'-P-C4' energy: -15.744 flat angles P-C4'-P energy: -6.482 tors. eta vs tors. theta energy: -19.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -221.895212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.895212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.895212 (E_RNA) where: Base-Base interactions energy: -147.159 where: short stacking energy: -69.822 Base-Backbone interact. energy: -0.444 local terms energy: -74.292143 where: bonds (distance) C4'-P energy: -16.441 bonds (distance) P-C4' energy: -20.782 flat angles C4'-P-C4' energy: -13.085 flat angles P-C4'-P energy: -4.592 tors. eta vs tors. theta energy: -19.392 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: 2 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -213.516768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.516768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.516768 (E_RNA) where: Base-Base interactions energy: -144.544 where: short stacking energy: -68.157 Base-Backbone interact. energy: -0.387 local terms energy: -68.585447 where: bonds (distance) C4'-P energy: -19.841 bonds (distance) P-C4' energy: -13.263 flat angles C4'-P-C4' energy: -13.412 flat angles P-C4'-P energy: -6.318 tors. eta vs tors. theta energy: -15.751 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: 8, replica: 9 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -162.862951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.862951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.862951 (E_RNA) where: Base-Base interactions energy: -105.107 where: short stacking energy: -53.685 Base-Backbone interact. energy: 0.083 local terms energy: -57.839590 where: bonds (distance) C4'-P energy: -14.574 bonds (distance) P-C4' energy: -15.635 flat angles C4'-P-C4' energy: -8.757 flat angles P-C4'-P energy: -10.882 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: 9, replica: 4 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -165.845890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.845890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.845890 (E_RNA) where: Base-Base interactions energy: -101.776 where: short stacking energy: -57.955 Base-Backbone interact. energy: -0.009 local terms energy: -64.060794 where: bonds (distance) C4'-P energy: -12.807 bonds (distance) P-C4' energy: -15.546 flat angles C4'-P-C4' energy: -15.673 flat angles P-C4'-P energy: -10.869 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: 10, replica: 5 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -94.007472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.007472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.007472 (E_RNA) where: Base-Base interactions energy: -41.664 where: short stacking energy: -38.770 Base-Backbone interact. energy: -0.221 local terms energy: -52.122586 where: bonds (distance) C4'-P energy: -15.545 bonds (distance) P-C4' energy: -10.314 flat angles C4'-P-C4' energy: -13.763 flat angles P-C4'-P energy: -5.682 tors. eta vs tors. theta energy: -6.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -269.893262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.893262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.893262 (E_RNA) where: Base-Base interactions energy: -187.134 where: short stacking energy: -86.926 Base-Backbone interact. energy: -0.192 local terms energy: -82.567529 where: bonds (distance) C4'-P energy: -18.968 bonds (distance) P-C4' energy: -12.022 flat angles C4'-P-C4' energy: -19.740 flat angles P-C4'-P energy: -12.189 tors. eta vs tors. theta energy: -19.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -262.030993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.030993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.030993 (E_RNA) where: Base-Base interactions energy: -181.993 where: short stacking energy: -93.597 Base-Backbone interact. energy: -0.036 local terms energy: -80.001941 where: bonds (distance) C4'-P energy: -15.240 bonds (distance) P-C4' energy: -16.620 flat angles C4'-P-C4' energy: -17.354 flat angles P-C4'-P energy: -8.475 tors. eta vs tors. theta energy: -22.312 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: 3 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -255.482710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.482710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.482710 (E_RNA) where: Base-Base interactions energy: -168.026 where: short stacking energy: -82.191 Base-Backbone interact. energy: -0.361 local terms energy: -87.095803 where: bonds (distance) C4'-P energy: -17.298 bonds (distance) P-C4' energy: -18.131 flat angles C4'-P-C4' energy: -19.171 flat angles P-C4'-P energy: -9.617 tors. eta vs tors. theta energy: -22.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -259.514834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.514834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.514834 (E_RNA) where: Base-Base interactions energy: -173.671 where: short stacking energy: -81.069 Base-Backbone interact. energy: -0.113 local terms energy: -85.730526 where: bonds (distance) C4'-P energy: -19.093 bonds (distance) P-C4' energy: -15.127 flat angles C4'-P-C4' energy: -19.529 flat angles P-C4'-P energy: -13.528 tors. eta vs tors. theta energy: -18.455 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: 1 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -214.183102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.183102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.183102 (E_RNA) where: Base-Base interactions energy: -142.920 where: short stacking energy: -62.380 Base-Backbone interact. energy: -0.906 local terms energy: -70.357138 where: bonds (distance) C4'-P energy: -17.720 bonds (distance) P-C4' energy: -16.325 flat angles C4'-P-C4' energy: -14.056 flat angles P-C4'-P energy: -7.994 tors. eta vs tors. theta energy: -14.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -230.783012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.783012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.783012 (E_RNA) where: Base-Base interactions energy: -155.910 where: short stacking energy: -71.334 Base-Backbone interact. energy: 0.069 local terms energy: -74.941700 where: bonds (distance) C4'-P energy: -18.218 bonds (distance) P-C4' energy: -17.967 flat angles C4'-P-C4' energy: -13.311 flat angles P-C4'-P energy: -5.848 tors. eta vs tors. theta energy: -19.597 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: 9 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -168.728246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.728246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.728246 (E_RNA) where: Base-Base interactions energy: -104.885 where: short stacking energy: -45.257 Base-Backbone interact. energy: 3.282 local terms energy: -67.125346 where: bonds (distance) C4'-P energy: -14.454 bonds (distance) P-C4' energy: -18.319 flat angles C4'-P-C4' energy: -15.878 flat angles P-C4'-P energy: -13.574 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: 8, replica: 2 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -212.546271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.546271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.546271 (E_RNA) where: Base-Base interactions energy: -149.203 where: short stacking energy: -71.672 Base-Backbone interact. energy: -0.548 local terms energy: -62.795351 where: bonds (distance) C4'-P energy: -8.709 bonds (distance) P-C4' energy: -14.210 flat angles C4'-P-C4' energy: -11.708 flat angles P-C4'-P energy: -7.344 tors. eta vs tors. theta energy: -20.825 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: 4 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -160.521132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.521132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.521132 (E_RNA) where: Base-Base interactions energy: -92.144 where: short stacking energy: -45.689 Base-Backbone interact. energy: -0.655 local terms energy: -67.722231 where: bonds (distance) C4'-P energy: -14.009 bonds (distance) P-C4' energy: -17.411 flat angles C4'-P-C4' energy: -17.489 flat angles P-C4'-P energy: -11.077 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: 10, replica: 5 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -112.101197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.101197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.101197 (E_RNA) where: Base-Base interactions energy: -50.476 where: short stacking energy: -36.892 Base-Backbone interact. energy: -0.037 local terms energy: -61.588606 where: bonds (distance) C4'-P energy: -12.153 bonds (distance) P-C4' energy: -15.301 flat angles C4'-P-C4' energy: -14.893 flat angles P-C4'-P energy: -8.959 tors. eta vs tors. theta energy: -10.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -286.198218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.198218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.198218 (E_RNA) where: Base-Base interactions energy: -200.298 where: short stacking energy: -94.112 Base-Backbone interact. energy: -2.051 local terms energy: -83.848448 where: bonds (distance) C4'-P energy: -15.485 bonds (distance) P-C4' energy: -15.291 flat angles C4'-P-C4' energy: -17.763 flat angles P-C4'-P energy: -13.451 tors. eta vs tors. theta energy: -21.858 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: 43 Temperature: 0.950000 Total energy: -266.028249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.028249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.028249 (E_RNA) where: Base-Base interactions energy: -184.329 where: short stacking energy: -102.321 Base-Backbone interact. energy: -0.318 local terms energy: -81.380522 where: bonds (distance) C4'-P energy: -13.561 bonds (distance) P-C4' energy: -15.420 flat angles C4'-P-C4' energy: -17.271 flat angles P-C4'-P energy: -11.247 tors. eta vs tors. theta energy: -23.882 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: 43 Temperature: 1.000000 Total energy: -232.575150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.575150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.575150 (E_RNA) where: Base-Base interactions energy: -153.017 where: short stacking energy: -73.883 Base-Backbone interact. energy: -0.043 local terms energy: -79.514914 where: bonds (distance) C4'-P energy: -18.466 bonds (distance) P-C4' energy: -17.168 flat angles C4'-P-C4' energy: -19.325 flat angles P-C4'-P energy: -10.364 tors. eta vs tors. theta energy: -14.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -259.354562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.354562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.354562 (E_RNA) where: Base-Base interactions energy: -171.535 where: short stacking energy: -76.513 Base-Backbone interact. energy: -0.964 local terms energy: -86.856117 where: bonds (distance) C4'-P energy: -17.399 bonds (distance) P-C4' energy: -19.112 flat angles C4'-P-C4' energy: -16.076 flat angles P-C4'-P energy: -15.436 tors. eta vs tors. theta energy: -18.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -227.271196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.271196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.271196 (E_RNA) where: Base-Base interactions energy: -159.356 where: short stacking energy: -69.328 Base-Backbone interact. energy: -0.304 local terms energy: -67.611821 where: bonds (distance) C4'-P energy: -15.490 bonds (distance) P-C4' energy: -14.554 flat angles C4'-P-C4' energy: -16.626 flat angles P-C4'-P energy: -6.057 tors. eta vs tors. theta energy: -14.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -226.508176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.508176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.508176 (E_RNA) where: Base-Base interactions energy: -152.937 where: short stacking energy: -80.124 Base-Backbone interact. energy: -0.384 local terms energy: -73.187871 where: bonds (distance) C4'-P energy: -13.999 bonds (distance) P-C4' energy: -16.508 flat angles C4'-P-C4' energy: -17.813 flat angles P-C4'-P energy: -6.452 tors. eta vs tors. theta energy: -18.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -172.920776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.920776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.920776 (E_RNA) where: Base-Base interactions energy: -111.690 where: short stacking energy: -56.680 Base-Backbone interact. energy: -0.410 local terms energy: -60.820670 where: bonds (distance) C4'-P energy: -14.715 bonds (distance) P-C4' energy: -12.157 flat angles C4'-P-C4' energy: -12.676 flat angles P-C4'-P energy: -11.897 tors. eta vs tors. theta energy: -9.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -203.824680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.824680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.824680 (E_RNA) where: Base-Base interactions energy: -140.722 where: short stacking energy: -62.244 Base-Backbone interact. energy: -0.355 local terms energy: -62.747797 where: bonds (distance) C4'-P energy: -12.290 bonds (distance) P-C4' energy: -17.148 flat angles C4'-P-C4' energy: -15.068 flat angles P-C4'-P energy: -9.980 tors. eta vs tors. theta energy: -8.262 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: 4 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -161.242779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.242779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.242779 (E_RNA) where: Base-Base interactions energy: -99.657 where: short stacking energy: -40.980 Base-Backbone interact. energy: -0.715 local terms energy: -60.870780 where: bonds (distance) C4'-P energy: -14.686 bonds (distance) P-C4' energy: -14.768 flat angles C4'-P-C4' energy: -16.202 flat angles P-C4'-P energy: -8.573 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: 10, replica: 5 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -97.677581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.677581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.677581 (E_RNA) where: Base-Base interactions energy: -38.630 where: short stacking energy: -38.630 Base-Backbone interact. energy: -0.119 local terms energy: -58.927811 where: bonds (distance) C4'-P energy: -15.043 bonds (distance) P-C4' energy: -19.979 flat angles C4'-P-C4' energy: -9.720 flat angles P-C4'-P energy: -11.819 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: 7 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -288.400981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.400981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.400981 (E_RNA) where: Base-Base interactions energy: -202.165 where: short stacking energy: -87.278 Base-Backbone interact. energy: -0.561 local terms energy: -85.675104 where: bonds (distance) C4'-P energy: -14.323 bonds (distance) P-C4' energy: -18.930 flat angles C4'-P-C4' energy: -21.115 flat angles P-C4'-P energy: -9.127 tors. eta vs tors. theta energy: -22.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -238.412518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.412518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.412518 (E_RNA) where: Base-Base interactions energy: -160.233 where: short stacking energy: -78.971 Base-Backbone interact. energy: -0.189 local terms energy: -77.990835 where: bonds (distance) C4'-P energy: -18.428 bonds (distance) P-C4' energy: -11.873 flat angles C4'-P-C4' energy: -20.360 flat angles P-C4'-P energy: -10.258 tors. eta vs tors. theta energy: -17.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -262.370139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.370139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.370139 (E_RNA) where: Base-Base interactions energy: -178.351 where: short stacking energy: -82.279 Base-Backbone interact. energy: -0.905 local terms energy: -83.113621 where: bonds (distance) C4'-P energy: -17.731 bonds (distance) P-C4' energy: -18.253 flat angles C4'-P-C4' energy: -16.481 flat angles P-C4'-P energy: -13.540 tors. eta vs tors. theta energy: -17.109 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: 4, replica: 3 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -232.422346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.422346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.422346 (E_RNA) where: Base-Base interactions energy: -155.246 where: short stacking energy: -80.336 Base-Backbone interact. energy: -0.072 local terms energy: -77.104435 where: bonds (distance) C4'-P energy: -15.076 bonds (distance) P-C4' energy: -17.381 flat angles C4'-P-C4' energy: -19.172 flat angles P-C4'-P energy: -10.708 tors. eta vs tors. theta energy: -14.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -231.759525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.759525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.759525 (E_RNA) where: Base-Base interactions energy: -151.239 where: short stacking energy: -72.580 Base-Backbone interact. energy: -0.338 local terms energy: -80.182468 where: bonds (distance) C4'-P energy: -16.321 bonds (distance) P-C4' energy: -18.355 flat angles C4'-P-C4' energy: -17.199 flat angles P-C4'-P energy: -13.035 tors. eta vs tors. theta energy: -15.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -227.201211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.201211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.201211 (E_RNA) where: Base-Base interactions energy: -149.102 where: short stacking energy: -76.576 Base-Backbone interact. energy: -1.055 local terms energy: -77.043874 where: bonds (distance) C4'-P energy: -12.328 bonds (distance) P-C4' energy: -15.262 flat angles C4'-P-C4' energy: -18.348 flat angles P-C4'-P energy: -14.857 tors. eta vs tors. theta energy: -16.250 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: 44 Temperature: 1.200000 Total energy: -210.902844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.902844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.902844 (E_RNA) where: Base-Base interactions energy: -136.143 where: short stacking energy: -52.879 Base-Backbone interact. energy: -0.203 local terms energy: -74.556609 where: bonds (distance) C4'-P energy: -16.363 bonds (distance) P-C4' energy: -18.436 flat angles C4'-P-C4' energy: -18.648 flat angles P-C4'-P energy: -9.645 tors. eta vs tors. theta energy: -11.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -172.166185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.166185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.166185 (E_RNA) where: Base-Base interactions energy: -98.794 where: short stacking energy: -63.883 Base-Backbone interact. energy: -0.270 local terms energy: -73.101971 where: bonds (distance) C4'-P energy: -14.918 bonds (distance) P-C4' energy: -17.307 flat angles C4'-P-C4' energy: -15.968 flat angles P-C4'-P energy: -10.138 tors. eta vs tors. theta energy: -14.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -176.245291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.245291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.245291 (E_RNA) where: Base-Base interactions energy: -115.285 where: short stacking energy: -57.268 Base-Backbone interact. energy: -0.191 local terms energy: -60.769658 where: bonds (distance) C4'-P energy: -10.670 bonds (distance) P-C4' energy: -14.631 flat angles C4'-P-C4' energy: -14.325 flat angles P-C4'-P energy: -11.565 tors. eta vs tors. theta energy: -9.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -90.573010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.573010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.573010 (E_RNA) where: Base-Base interactions energy: -34.999 where: short stacking energy: -33.337 Base-Backbone interact. energy: -0.353 local terms energy: -55.220730 where: bonds (distance) C4'-P energy: -8.907 bonds (distance) P-C4' energy: -15.052 flat angles C4'-P-C4' energy: -11.877 flat angles P-C4'-P energy: -10.555 tors. eta vs tors. theta energy: -8.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -283.995249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.995249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.995249 (E_RNA) where: Base-Base interactions energy: -197.975 where: short stacking energy: -84.676 Base-Backbone interact. energy: -0.456 local terms energy: -85.564085 where: bonds (distance) C4'-P energy: -17.937 bonds (distance) P-C4' energy: -15.822 flat angles C4'-P-C4' energy: -19.861 flat angles P-C4'-P energy: -11.373 tors. eta vs tors. theta energy: -20.572 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: 2, replica: 8 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -262.970611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.970611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.970611 (E_RNA) where: Base-Base interactions energy: -181.756 where: short stacking energy: -81.744 Base-Backbone interact. energy: -1.078 local terms energy: -80.137169 where: bonds (distance) C4'-P energy: -12.769 bonds (distance) P-C4' energy: -19.243 flat angles C4'-P-C4' energy: -16.671 flat angles P-C4'-P energy: -13.433 tors. eta vs tors. theta energy: -18.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -255.460108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.460108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.460108 (E_RNA) where: Base-Base interactions energy: -163.970 where: short stacking energy: -82.792 Base-Backbone interact. energy: -0.431 local terms energy: -91.059364 where: bonds (distance) C4'-P energy: -17.021 bonds (distance) P-C4' energy: -20.681 flat angles C4'-P-C4' energy: -18.882 flat angles P-C4'-P energy: -11.892 tors. eta vs tors. theta energy: -22.584 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: 45 Temperature: 1.050000 Total energy: -242.507446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.507446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.507446 (E_RNA) where: Base-Base interactions energy: -164.050 where: short stacking energy: -83.755 Base-Backbone interact. energy: -0.084 local terms energy: -78.373498 where: bonds (distance) C4'-P energy: -17.706 bonds (distance) P-C4' energy: -13.512 flat angles C4'-P-C4' energy: -16.426 flat angles P-C4'-P energy: -11.404 tors. eta vs tors. theta energy: -19.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -234.296370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.296370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.296370 (E_RNA) where: Base-Base interactions energy: -163.773 where: short stacking energy: -80.781 Base-Backbone interact. energy: -1.535 local terms energy: -68.988544 where: bonds (distance) C4'-P energy: -9.834 bonds (distance) P-C4' energy: -12.939 flat angles C4'-P-C4' energy: -16.490 flat angles P-C4'-P energy: -11.605 tors. eta vs tors. theta energy: -18.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -231.531585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.531585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.531585 (E_RNA) where: Base-Base interactions energy: -156.396 where: short stacking energy: -71.641 Base-Backbone interact. energy: -0.015 local terms energy: -75.120413 where: bonds (distance) C4'-P energy: -16.049 bonds (distance) P-C4' energy: -16.689 flat angles C4'-P-C4' energy: -15.655 flat angles P-C4'-P energy: -9.674 tors. eta vs tors. theta energy: -17.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -199.594683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.594683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.594683 (E_RNA) where: Base-Base interactions energy: -137.359 where: short stacking energy: -56.986 Base-Backbone interact. energy: -0.168 local terms energy: -62.067784 where: bonds (distance) C4'-P energy: -14.422 bonds (distance) P-C4' energy: -15.266 flat angles C4'-P-C4' energy: -15.100 flat angles P-C4'-P energy: -6.873 tors. eta vs tors. theta energy: -10.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -182.970029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.970029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.970029 (E_RNA) where: Base-Base interactions energy: -118.631 where: short stacking energy: -66.633 Base-Backbone interact. energy: -0.094 local terms energy: -64.245250 where: bonds (distance) C4'-P energy: -11.566 bonds (distance) P-C4' energy: -16.007 flat angles C4'-P-C4' energy: -16.085 flat angles P-C4'-P energy: -10.823 tors. eta vs tors. theta energy: -9.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -168.392151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.392151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.392151 (E_RNA) where: Base-Base interactions energy: -107.996 where: short stacking energy: -65.775 Base-Backbone interact. energy: 0.372 local terms energy: -60.768064 where: bonds (distance) C4'-P energy: -8.599 bonds (distance) P-C4' energy: -16.521 flat angles C4'-P-C4' energy: -8.507 flat angles P-C4'-P energy: -11.879 tors. eta vs tors. theta energy: -15.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -105.285517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.285517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.285517 (E_RNA) where: Base-Base interactions energy: -49.484 where: short stacking energy: -35.670 Base-Backbone interact. energy: -0.649 local terms energy: -55.152332 where: bonds (distance) C4'-P energy: -15.385 bonds (distance) P-C4' energy: -6.537 flat angles C4'-P-C4' energy: -11.947 flat angles P-C4'-P energy: -11.806 tors. eta vs tors. theta energy: -9.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -289.594057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.594057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.594057 (E_RNA) where: Base-Base interactions energy: -198.798 where: short stacking energy: -86.331 Base-Backbone interact. energy: -0.999 local terms energy: -89.796358 where: bonds (distance) C4'-P energy: -15.374 bonds (distance) P-C4' energy: -20.401 flat angles C4'-P-C4' energy: -19.352 flat angles P-C4'-P energy: -13.995 tors. eta vs tors. theta energy: -20.673 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: 8 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -262.746918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.746918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.746918 (E_RNA) where: Base-Base interactions energy: -182.623 where: short stacking energy: -83.771 Base-Backbone interact. energy: -0.550 local terms energy: -79.574462 where: bonds (distance) C4'-P energy: -16.318 bonds (distance) P-C4' energy: -19.088 flat angles C4'-P-C4' energy: -16.947 flat angles P-C4'-P energy: -10.027 tors. eta vs tors. theta energy: -17.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -243.350546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.350546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.350546 (E_RNA) where: Base-Base interactions energy: -160.345 where: short stacking energy: -78.707 Base-Backbone interact. energy: -0.100 local terms energy: -82.906283 where: bonds (distance) C4'-P energy: -18.528 bonds (distance) P-C4' energy: -10.496 flat angles C4'-P-C4' energy: -17.700 flat angles P-C4'-P energy: -12.347 tors. eta vs tors. theta energy: -23.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -238.801199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.801199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.801199 (E_RNA) where: Base-Base interactions energy: -164.285 where: short stacking energy: -76.532 Base-Backbone interact. energy: 3.645 local terms energy: -78.160382 where: bonds (distance) C4'-P energy: -18.277 bonds (distance) P-C4' energy: -19.124 flat angles C4'-P-C4' energy: -15.632 flat angles P-C4'-P energy: -5.687 tors. eta vs tors. theta energy: -19.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -237.529411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.529411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.529411 (E_RNA) where: Base-Base interactions energy: -155.453 where: short stacking energy: -84.998 Base-Backbone interact. energy: -0.126 local terms energy: -81.950275 where: bonds (distance) C4'-P energy: -15.222 bonds (distance) P-C4' energy: -14.042 flat angles C4'-P-C4' energy: -19.638 flat angles P-C4'-P energy: -11.871 tors. eta vs tors. theta energy: -21.178 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: 3 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -216.811373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.811373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.811373 (E_RNA) where: Base-Base interactions energy: -144.670 where: short stacking energy: -68.548 Base-Backbone interact. energy: 1.693 local terms energy: -73.834861 where: bonds (distance) C4'-P energy: -13.673 bonds (distance) P-C4' energy: -18.394 flat angles C4'-P-C4' energy: -16.864 flat angles P-C4'-P energy: -12.380 tors. eta vs tors. theta energy: -12.525 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: 7, replica: 4 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -179.386730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.386730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.386730 (E_RNA) where: Base-Base interactions energy: -114.888 where: short stacking energy: -58.071 Base-Backbone interact. energy: -0.119 local terms energy: -64.379436 where: bonds (distance) C4'-P energy: -15.250 bonds (distance) P-C4' energy: -14.730 flat angles C4'-P-C4' energy: -17.498 flat angles P-C4'-P energy: -9.476 tors. eta vs tors. theta energy: -7.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -212.016740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.016740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.016740 (E_RNA) where: Base-Base interactions energy: -150.298 where: short stacking energy: -71.504 Base-Backbone interact. energy: 0.592 local terms energy: -62.310744 where: bonds (distance) C4'-P energy: -15.762 bonds (distance) P-C4' energy: -13.501 flat angles C4'-P-C4' energy: -14.264 flat angles P-C4'-P energy: -2.881 tors. eta vs tors. theta energy: -15.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -171.453226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.453226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.453226 (E_RNA) where: Base-Base interactions energy: -106.061 where: short stacking energy: -58.042 Base-Backbone interact. energy: -0.213 local terms energy: -65.179989 where: bonds (distance) C4'-P energy: -13.560 bonds (distance) P-C4' energy: -15.850 flat angles C4'-P-C4' energy: -12.739 flat angles P-C4'-P energy: -13.080 tors. eta vs tors. theta energy: -9.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -99.228533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.228533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.228533 (E_RNA) where: Base-Base interactions energy: -45.376 where: short stacking energy: -45.376 Base-Backbone interact. energy: -0.093 local terms energy: -53.759609 where: bonds (distance) C4'-P energy: -13.101 bonds (distance) P-C4' energy: -14.677 flat angles C4'-P-C4' energy: -10.224 flat angles P-C4'-P energy: -5.567 tors. eta vs tors. theta energy: -10.189 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: 47 Temperature: 0.900000 Total energy: -285.486566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.486566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.486566 (E_RNA) where: Base-Base interactions energy: -199.630 where: short stacking energy: -81.982 Base-Backbone interact. energy: -0.868 local terms energy: -84.988799 where: bonds (distance) C4'-P energy: -17.622 bonds (distance) P-C4' energy: -20.122 flat angles C4'-P-C4' energy: -15.572 flat angles P-C4'-P energy: -10.955 tors. eta vs tors. theta energy: -20.717 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: 10 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -259.569524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.569524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.569524 (E_RNA) where: Base-Base interactions energy: -174.578 where: short stacking energy: -78.760 Base-Backbone interact. energy: -2.188 local terms energy: -82.803459 where: bonds (distance) C4'-P energy: -16.272 bonds (distance) P-C4' energy: -18.966 flat angles C4'-P-C4' energy: -18.613 flat angles P-C4'-P energy: -8.263 tors. eta vs tors. theta energy: -20.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -264.866422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.866422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.866422 (E_RNA) where: Base-Base interactions energy: -183.154 where: short stacking energy: -83.694 Base-Backbone interact. energy: -0.119 local terms energy: -81.592920 where: bonds (distance) C4'-P energy: -16.244 bonds (distance) P-C4' energy: -18.598 flat angles C4'-P-C4' energy: -18.362 flat angles P-C4'-P energy: -13.797 tors. eta vs tors. theta energy: -14.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -238.777492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.777492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.777492 (E_RNA) where: Base-Base interactions energy: -156.153 where: short stacking energy: -79.499 Base-Backbone interact. energy: -0.094 local terms energy: -82.530362 where: bonds (distance) C4'-P energy: -16.994 bonds (distance) P-C4' energy: -20.920 flat angles C4'-P-C4' energy: -16.165 flat angles P-C4'-P energy: -8.045 tors. eta vs tors. theta energy: -20.406 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: 2 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -220.733580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.733580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.733580 (E_RNA) where: Base-Base interactions energy: -154.827 where: short stacking energy: -69.175 Base-Backbone interact. energy: -0.931 local terms energy: -64.975601 where: bonds (distance) C4'-P energy: -13.146 bonds (distance) P-C4' energy: -17.639 flat angles C4'-P-C4' energy: -16.357 flat angles P-C4'-P energy: -3.316 tors. eta vs tors. theta energy: -14.518 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: 6, replica: 4 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -206.989143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.989143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.989143 (E_RNA) where: Base-Base interactions energy: -137.329 where: short stacking energy: -84.592 Base-Backbone interact. energy: -0.004 local terms energy: -69.656627 where: bonds (distance) C4'-P energy: -8.095 bonds (distance) P-C4' energy: -13.678 flat angles C4'-P-C4' energy: -15.157 flat angles P-C4'-P energy: -9.201 tors. eta vs tors. theta energy: -23.526 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: 3 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -231.651535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.651535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.651535 (E_RNA) where: Base-Base interactions energy: -160.394 where: short stacking energy: -74.923 Base-Backbone interact. energy: 0.160 local terms energy: -71.416910 where: bonds (distance) C4'-P energy: -15.427 bonds (distance) P-C4' energy: -16.062 flat angles C4'-P-C4' energy: -15.855 flat angles P-C4'-P energy: -8.542 tors. eta vs tors. theta energy: -15.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -202.486210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.486210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.486210 (E_RNA) where: Base-Base interactions energy: -136.264 where: short stacking energy: -63.731 Base-Backbone interact. energy: -0.303 local terms energy: -65.919352 where: bonds (distance) C4'-P energy: -10.551 bonds (distance) P-C4' energy: -19.066 flat angles C4'-P-C4' energy: -16.212 flat angles P-C4'-P energy: -7.669 tors. eta vs tors. theta energy: -12.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -147.749587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.749587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.749587 (E_RNA) where: Base-Base interactions energy: -87.022 where: short stacking energy: -47.949 Base-Backbone interact. energy: -0.326 local terms energy: -60.401410 where: bonds (distance) C4'-P energy: -16.752 bonds (distance) P-C4' energy: -16.720 flat angles C4'-P-C4' energy: -15.859 flat angles P-C4'-P energy: -8.388 tors. eta vs tors. theta energy: -2.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -97.534721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.534721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.534721 (E_RNA) where: Base-Base interactions energy: -39.268 where: short stacking energy: -38.559 Base-Backbone interact. energy: -0.266 local terms energy: -58.000666 where: bonds (distance) C4'-P energy: -14.123 bonds (distance) P-C4' energy: -18.085 flat angles C4'-P-C4' energy: -9.730 flat angles P-C4'-P energy: -9.277 tors. eta vs tors. theta energy: -6.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -290.461347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.461347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.461347 (E_RNA) where: Base-Base interactions energy: -207.858 where: short stacking energy: -78.867 Base-Backbone interact. energy: -1.149 local terms energy: -81.454482 where: bonds (distance) C4'-P energy: -16.877 bonds (distance) P-C4' energy: -18.629 flat angles C4'-P-C4' energy: -18.916 flat angles P-C4'-P energy: -8.923 tors. eta vs tors. theta energy: -18.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -258.797934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.797934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.797934 (E_RNA) where: Base-Base interactions energy: -168.818 where: short stacking energy: -83.840 Base-Backbone interact. energy: -1.656 local terms energy: -88.323797 where: bonds (distance) C4'-P energy: -19.496 bonds (distance) P-C4' energy: -17.447 flat angles C4'-P-C4' energy: -15.967 flat angles P-C4'-P energy: -13.935 tors. eta vs tors. theta energy: -21.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -249.947224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.947224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.947224 (E_RNA) where: Base-Base interactions energy: -165.598 where: short stacking energy: -86.018 Base-Backbone interact. energy: -0.061 local terms energy: -84.288719 where: bonds (distance) C4'-P energy: -17.448 bonds (distance) P-C4' energy: -17.148 flat angles C4'-P-C4' energy: -18.183 flat angles P-C4'-P energy: -10.621 tors. eta vs tors. theta energy: -20.889 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: 8 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -251.328549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.328549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.328549 (E_RNA) where: Base-Base interactions energy: -187.217 where: short stacking energy: -81.598 Base-Backbone interact. energy: -0.313 local terms energy: -63.799059 where: bonds (distance) C4'-P energy: -18.583 bonds (distance) P-C4' energy: -10.733 flat angles C4'-P-C4' energy: -16.519 flat angles P-C4'-P energy: -6.860 tors. eta vs tors. theta energy: -11.105 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: 2 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -237.058313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.058313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.058313 (E_RNA) where: Base-Base interactions energy: -160.125 where: short stacking energy: -64.959 Base-Backbone interact. energy: -0.401 local terms energy: -76.532709 where: bonds (distance) C4'-P energy: -18.259 bonds (distance) P-C4' energy: -19.893 flat angles C4'-P-C4' energy: -17.227 flat angles P-C4'-P energy: -9.084 tors. eta vs tors. theta energy: -12.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -198.802516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.802516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.802516 (E_RNA) where: Base-Base interactions energy: -124.376 where: short stacking energy: -68.007 Base-Backbone interact. energy: -0.018 local terms energy: -74.408650 where: bonds (distance) C4'-P energy: -11.412 bonds (distance) P-C4' energy: -17.466 flat angles C4'-P-C4' energy: -16.788 flat angles P-C4'-P energy: -14.315 tors. eta vs tors. theta energy: -14.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -218.202740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.202740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.202740 (E_RNA) where: Base-Base interactions energy: -152.895 where: short stacking energy: -60.107 Base-Backbone interact. energy: 0.832 local terms energy: -66.140128 where: bonds (distance) C4'-P energy: -10.875 bonds (distance) P-C4' energy: -16.227 flat angles C4'-P-C4' energy: -16.886 flat angles P-C4'-P energy: -7.427 tors. eta vs tors. theta energy: -14.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -195.209680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.209680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.209680 (E_RNA) where: Base-Base interactions energy: -134.547 where: short stacking energy: -48.527 Base-Backbone interact. energy: -0.200 local terms energy: -60.462686 where: bonds (distance) C4'-P energy: -16.455 bonds (distance) P-C4' energy: -14.173 flat angles C4'-P-C4' energy: -14.710 flat angles P-C4'-P energy: -4.779 tors. eta vs tors. theta energy: -10.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -170.569162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.569162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.569162 (E_RNA) where: Base-Base interactions energy: -107.665 where: short stacking energy: -67.044 Base-Backbone interact. energy: -0.180 local terms energy: -62.724660 where: bonds (distance) C4'-P energy: -11.639 bonds (distance) P-C4' energy: -13.638 flat angles C4'-P-C4' energy: -19.230 flat angles P-C4'-P energy: -6.440 tors. eta vs tors. theta energy: -11.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -94.738273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.738273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.738273 (E_RNA) where: Base-Base interactions energy: -34.821 where: short stacking energy: -28.398 Base-Backbone interact. energy: -0.108 local terms energy: -59.810204 where: bonds (distance) C4'-P energy: -16.583 bonds (distance) P-C4' energy: -11.879 flat angles C4'-P-C4' energy: -13.090 flat angles P-C4'-P energy: -15.545 tors. eta vs tors. theta energy: -2.714 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: 7 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -288.936013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.936013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.936013 (E_RNA) where: Base-Base interactions energy: -204.264 where: short stacking energy: -93.207 Base-Backbone interact. energy: -0.866 local terms energy: -83.805797 where: bonds (distance) C4'-P energy: -19.210 bonds (distance) P-C4' energy: -20.398 flat angles C4'-P-C4' energy: -11.494 flat angles P-C4'-P energy: -8.980 tors. eta vs tors. theta energy: -23.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -259.935036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.935036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.935036 (E_RNA) where: Base-Base interactions energy: -176.212 where: short stacking energy: -83.711 Base-Backbone interact. energy: -1.505 local terms energy: -82.217732 where: bonds (distance) C4'-P energy: -16.770 bonds (distance) P-C4' energy: -18.587 flat angles C4'-P-C4' energy: -17.583 flat angles P-C4'-P energy: -9.272 tors. eta vs tors. theta energy: -20.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -250.823351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.823351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.823351 (E_RNA) where: Base-Base interactions energy: -165.268 where: short stacking energy: -83.998 Base-Backbone interact. energy: -1.073 local terms energy: -84.481519 where: bonds (distance) C4'-P energy: -15.880 bonds (distance) P-C4' energy: -17.552 flat angles C4'-P-C4' energy: -17.869 flat angles P-C4'-P energy: -12.813 tors. eta vs tors. theta energy: -20.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -229.219906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.219906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.219906 (E_RNA) where: Base-Base interactions energy: -148.394 where: short stacking energy: -67.579 Base-Backbone interact. energy: -0.240 local terms energy: -80.585531 where: bonds (distance) C4'-P energy: -16.029 bonds (distance) P-C4' energy: -18.403 flat angles C4'-P-C4' energy: -16.942 flat angles P-C4'-P energy: -13.238 tors. eta vs tors. theta energy: -15.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -245.183934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.183934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.183934 (E_RNA) where: Base-Base interactions energy: -166.963 where: short stacking energy: -85.836 Base-Backbone interact. energy: -0.250 local terms energy: -77.971357 where: bonds (distance) C4'-P energy: -16.244 bonds (distance) P-C4' energy: -17.272 flat angles C4'-P-C4' energy: -14.527 flat angles P-C4'-P energy: -15.240 tors. eta vs tors. theta energy: -14.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -243.072241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.072241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.072241 (E_RNA) where: Base-Base interactions energy: -169.998 where: short stacking energy: -71.755 Base-Backbone interact. energy: 0.371 local terms energy: -73.445284 where: bonds (distance) C4'-P energy: -15.899 bonds (distance) P-C4' energy: -18.281 flat angles C4'-P-C4' energy: -17.334 flat angles P-C4'-P energy: -9.278 tors. eta vs tors. theta energy: -12.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -197.887120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.887120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.887120 (E_RNA) where: Base-Base interactions energy: -121.959 where: short stacking energy: -66.372 Base-Backbone interact. energy: -0.012 local terms energy: -75.916102 where: bonds (distance) C4'-P energy: -12.957 bonds (distance) P-C4' energy: -17.397 flat angles C4'-P-C4' energy: -13.280 flat angles P-C4'-P energy: -14.554 tors. eta vs tors. theta energy: -17.728 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: 9 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -161.431137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.431137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.431137 (E_RNA) where: Base-Base interactions energy: -103.984 where: short stacking energy: -57.544 Base-Backbone interact. energy: -0.074 local terms energy: -57.373525 where: bonds (distance) C4'-P energy: -12.314 bonds (distance) P-C4' energy: -10.261 flat angles C4'-P-C4' energy: -17.814 flat angles P-C4'-P energy: -8.664 tors. eta vs tors. theta energy: -8.321 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: 1 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -144.350225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.350225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.350225 (E_RNA) where: Base-Base interactions energy: -76.588 where: short stacking energy: -48.537 Base-Backbone interact. energy: -0.359 local terms energy: -67.403180 where: bonds (distance) C4'-P energy: -16.876 bonds (distance) P-C4' energy: -12.813 flat angles C4'-P-C4' energy: -17.758 flat angles P-C4'-P energy: -7.425 tors. eta vs tors. theta energy: -12.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -89.541027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.541027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.541027 (E_RNA) where: Base-Base interactions energy: -38.561 where: short stacking energy: -31.632 Base-Backbone interact. energy: -0.371 local terms energy: -50.608593 where: bonds (distance) C4'-P energy: -13.465 bonds (distance) P-C4' energy: -17.463 flat angles C4'-P-C4' energy: -14.899 flat angles P-C4'-P energy: -9.037 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: 1, replica: 7 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -285.419258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.419258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.419258 (E_RNA) where: Base-Base interactions energy: -201.627 where: short stacking energy: -95.062 Base-Backbone interact. energy: -1.037 local terms energy: -82.755441 where: bonds (distance) C4'-P energy: -18.073 bonds (distance) P-C4' energy: -14.586 flat angles C4'-P-C4' energy: -19.400 flat angles P-C4'-P energy: -10.145 tors. eta vs tors. theta energy: -20.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -260.334302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.334302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.334302 (E_RNA) where: Base-Base interactions energy: -176.112 where: short stacking energy: -88.830 Base-Backbone interact. energy: -0.405 local terms energy: -83.817691 where: bonds (distance) C4'-P energy: -17.700 bonds (distance) P-C4' energy: -19.402 flat angles C4'-P-C4' energy: -16.422 flat angles P-C4'-P energy: -8.390 tors. eta vs tors. theta energy: -21.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -243.361923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.361923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.361923 (E_RNA) where: Base-Base interactions energy: -156.884 where: short stacking energy: -69.049 Base-Backbone interact. energy: -0.347 local terms energy: -86.130545 where: bonds (distance) C4'-P energy: -19.001 bonds (distance) P-C4' energy: -19.059 flat angles C4'-P-C4' energy: -17.431 flat angles P-C4'-P energy: -11.603 tors. eta vs tors. theta energy: -19.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -239.979108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.979108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.979108 (E_RNA) where: Base-Base interactions energy: -160.082 where: short stacking energy: -83.451 Base-Backbone interact. energy: -0.381 local terms energy: -79.516166 where: bonds (distance) C4'-P energy: -17.084 bonds (distance) P-C4' energy: -19.246 flat angles C4'-P-C4' energy: -18.803 flat angles P-C4'-P energy: -8.503 tors. eta vs tors. theta energy: -15.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -244.501822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.501822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.501822 (E_RNA) where: Base-Base interactions energy: -169.901 where: short stacking energy: -77.443 Base-Backbone interact. energy: -0.269 local terms energy: -74.331144 where: bonds (distance) C4'-P energy: -13.585 bonds (distance) P-C4' energy: -18.029 flat angles C4'-P-C4' energy: -17.501 flat angles P-C4'-P energy: -8.398 tors. eta vs tors. theta energy: -16.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -243.235318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.235318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.235318 (E_RNA) where: Base-Base interactions energy: -172.875 where: short stacking energy: -81.372 Base-Backbone interact. energy: 0.067 local terms energy: -70.426340 where: bonds (distance) C4'-P energy: -12.624 bonds (distance) P-C4' energy: -17.793 flat angles C4'-P-C4' energy: -14.893 flat angles P-C4'-P energy: -12.526 tors. eta vs tors. theta energy: -12.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -194.441882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.441882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.441882 (E_RNA) where: Base-Base interactions energy: -117.993 where: short stacking energy: -59.839 Base-Backbone interact. energy: -0.923 local terms energy: -75.525833 where: bonds (distance) C4'-P energy: -16.040 bonds (distance) P-C4' energy: -16.163 flat angles C4'-P-C4' energy: -15.609 flat angles P-C4'-P energy: -12.621 tors. eta vs tors. theta energy: -15.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -171.327391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.327391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.327391 (E_RNA) where: Base-Base interactions energy: -108.655 where: short stacking energy: -58.448 Base-Backbone interact. energy: -0.005 local terms energy: -62.667812 where: bonds (distance) C4'-P energy: -13.492 bonds (distance) P-C4' energy: -16.682 flat angles C4'-P-C4' energy: -15.407 flat angles P-C4'-P energy: -11.224 tors. eta vs tors. theta energy: -5.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -102.126941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.126941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.126941 (E_RNA) where: Base-Base interactions energy: -42.596 where: short stacking energy: -28.990 Base-Backbone interact. energy: -0.232 local terms energy: -59.298879 where: bonds (distance) C4'-P energy: -12.331 bonds (distance) P-C4' energy: -17.727 flat angles C4'-P-C4' energy: -12.808 flat angles P-C4'-P energy: -11.883 tors. eta vs tors. theta energy: -4.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -147.942768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.942768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.942768 (E_RNA) where: Base-Base interactions energy: -90.112 where: short stacking energy: -40.333 Base-Backbone interact. energy: -1.057 local terms energy: -56.773459 where: bonds (distance) C4'-P energy: -16.384 bonds (distance) P-C4' energy: -13.476 flat angles C4'-P-C4' energy: -6.896 flat angles P-C4'-P energy: -12.194 tors. eta vs tors. theta energy: -7.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -295.745356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.745356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.745356 (E_RNA) where: Base-Base interactions energy: -209.357 where: short stacking energy: -92.811 Base-Backbone interact. energy: -1.418 local terms energy: -84.970176 where: bonds (distance) C4'-P energy: -19.112 bonds (distance) P-C4' energy: -17.864 flat angles C4'-P-C4' energy: -20.002 flat angles P-C4'-P energy: -8.635 tors. eta vs tors. theta energy: -19.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -247.976601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.976601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.976601 (E_RNA) where: Base-Base interactions energy: -169.643 where: short stacking energy: -82.960 Base-Backbone interact. energy: -0.112 local terms energy: -78.221302 where: bonds (distance) C4'-P energy: -16.300 bonds (distance) P-C4' energy: -15.859 flat angles C4'-P-C4' energy: -16.621 flat angles P-C4'-P energy: -10.043 tors. eta vs tors. theta energy: -19.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -253.850415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.850415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.850415 (E_RNA) where: Base-Base interactions energy: -174.373 where: short stacking energy: -90.614 Base-Backbone interact. energy: -0.465 local terms energy: -79.012820 where: bonds (distance) C4'-P energy: -13.011 bonds (distance) P-C4' energy: -17.861 flat angles C4'-P-C4' energy: -18.168 flat angles P-C4'-P energy: -11.384 tors. eta vs tors. theta energy: -18.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -261.235171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.235171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.235171 (E_RNA) where: Base-Base interactions energy: -183.016 where: short stacking energy: -76.713 Base-Backbone interact. energy: -0.511 local terms energy: -77.708046 where: bonds (distance) C4'-P energy: -13.918 bonds (distance) P-C4' energy: -17.113 flat angles C4'-P-C4' energy: -18.722 flat angles P-C4'-P energy: -7.594 tors. eta vs tors. theta energy: -20.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -246.691555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.691555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.691555 (E_RNA) where: Base-Base interactions energy: -164.367 where: short stacking energy: -82.343 Base-Backbone interact. energy: -1.206 local terms energy: -81.118057 where: bonds (distance) C4'-P energy: -19.443 bonds (distance) P-C4' energy: -17.138 flat angles C4'-P-C4' energy: -15.554 flat angles P-C4'-P energy: -4.715 tors. eta vs tors. theta energy: -24.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -189.560029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.560029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.560029 (E_RNA) where: Base-Base interactions energy: -126.523 where: short stacking energy: -61.279 Base-Backbone interact. energy: -0.585 local terms energy: -62.452873 where: bonds (distance) C4'-P energy: -10.460 bonds (distance) P-C4' energy: -18.517 flat angles C4'-P-C4' energy: -10.689 flat angles P-C4'-P energy: -7.992 tors. eta vs tors. theta energy: -14.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -232.921274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.921274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.921274 (E_RNA) where: Base-Base interactions energy: -163.923 where: short stacking energy: -73.130 Base-Backbone interact. energy: -0.665 local terms energy: -68.332523 where: bonds (distance) C4'-P energy: -12.865 bonds (distance) P-C4' energy: -16.237 flat angles C4'-P-C4' energy: -15.513 flat angles P-C4'-P energy: -9.395 tors. eta vs tors. theta energy: -14.323 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: 8, replica: 9 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -193.720648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.720648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.720648 (E_RNA) where: Base-Base interactions energy: -129.332 where: short stacking energy: -72.506 Base-Backbone interact. energy: -2.075 local terms energy: -62.313420 where: bonds (distance) C4'-P energy: -9.402 bonds (distance) P-C4' energy: -14.160 flat angles C4'-P-C4' energy: -15.605 flat angles P-C4'-P energy: -5.341 tors. eta vs tors. theta energy: -17.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -114.452500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.452500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.452500 (E_RNA) where: Base-Base interactions energy: -63.733 where: short stacking energy: -37.735 Base-Backbone interact. energy: -0.277 local terms energy: -50.442692 where: bonds (distance) C4'-P energy: -12.839 bonds (distance) P-C4' energy: -15.576 flat angles C4'-P-C4' energy: -10.580 flat angles P-C4'-P energy: -11.244 tors. eta vs tors. theta energy: -0.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -164.578223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.578223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.578223 (E_RNA) where: Base-Base interactions energy: -103.264 where: short stacking energy: -60.012 Base-Backbone interact. energy: -0.042 local terms energy: -61.272561 where: bonds (distance) C4'-P energy: -14.314 bonds (distance) P-C4' energy: -11.729 flat angles C4'-P-C4' energy: -9.536 flat angles P-C4'-P energy: -10.631 tors. eta vs tors. theta energy: -15.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -286.496036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.496036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.496036 (E_RNA) where: Base-Base interactions energy: -200.368 where: short stacking energy: -90.328 Base-Backbone interact. energy: -1.788 local terms energy: -84.340046 where: bonds (distance) C4'-P energy: -12.196 bonds (distance) P-C4' energy: -19.073 flat angles C4'-P-C4' energy: -18.190 flat angles P-C4'-P energy: -13.021 tors. eta vs tors. theta energy: -21.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -264.701622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.701622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.701622 (E_RNA) where: Base-Base interactions energy: -178.286 where: short stacking energy: -95.982 Base-Backbone interact. energy: -0.002 local terms energy: -86.414425 where: bonds (distance) C4'-P energy: -14.149 bonds (distance) P-C4' energy: -19.911 flat angles C4'-P-C4' energy: -19.904 flat angles P-C4'-P energy: -10.623 tors. eta vs tors. theta energy: -21.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -270.293033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.293033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.293033 (E_RNA) where: Base-Base interactions energy: -186.464 where: short stacking energy: -80.196 Base-Backbone interact. energy: -0.938 local terms energy: -82.891079 where: bonds (distance) C4'-P energy: -17.009 bonds (distance) P-C4' energy: -18.369 flat angles C4'-P-C4' energy: -17.586 flat angles P-C4'-P energy: -10.590 tors. eta vs tors. theta energy: -19.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -240.949089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.949089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.949089 (E_RNA) where: Base-Base interactions energy: -157.428 where: short stacking energy: -85.289 Base-Backbone interact. energy: -0.096 local terms energy: -83.424465 where: bonds (distance) C4'-P energy: -15.206 bonds (distance) P-C4' energy: -15.796 flat angles C4'-P-C4' energy: -19.846 flat angles P-C4'-P energy: -10.601 tors. eta vs tors. theta energy: -21.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -232.837663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.837663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.837663 (E_RNA) where: Base-Base interactions energy: -156.369 where: short stacking energy: -80.003 Base-Backbone interact. energy: 1.085 local terms energy: -77.553440 where: bonds (distance) C4'-P energy: -16.562 bonds (distance) P-C4' energy: -17.010 flat angles C4'-P-C4' energy: -18.399 flat angles P-C4'-P energy: -6.503 tors. eta vs tors. theta energy: -19.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -186.933739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.933739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.933739 (E_RNA) where: Base-Base interactions energy: -120.120 where: short stacking energy: -60.094 Base-Backbone interact. energy: 0.803 local terms energy: -67.617373 where: bonds (distance) C4'-P energy: -16.575 bonds (distance) P-C4' energy: -13.571 flat angles C4'-P-C4' energy: -19.338 flat angles P-C4'-P energy: -4.849 tors. eta vs tors. theta energy: -13.284 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: 8 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -236.019699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.019699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.019699 (E_RNA) where: Base-Base interactions energy: -167.758 where: short stacking energy: -79.567 Base-Backbone interact. energy: -0.570 local terms energy: -67.692420 where: bonds (distance) C4'-P energy: -12.426 bonds (distance) P-C4' energy: -13.248 flat angles C4'-P-C4' energy: -13.754 flat angles P-C4'-P energy: -11.928 tors. eta vs tors. theta energy: -16.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -190.436293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.436293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.436293 (E_RNA) where: Base-Base interactions energy: -127.362 where: short stacking energy: -73.685 Base-Backbone interact. energy: -0.428 local terms energy: -62.646293 where: bonds (distance) C4'-P energy: -15.735 bonds (distance) P-C4' energy: -7.233 flat angles C4'-P-C4' energy: -15.278 flat angles P-C4'-P energy: -8.666 tors. eta vs tors. theta energy: -15.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -161.217363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.217363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.217363 (E_RNA) where: Base-Base interactions energy: -97.087 where: short stacking energy: -50.321 Base-Backbone interact. energy: -0.432 local terms energy: -63.698547 where: bonds (distance) C4'-P energy: -18.723 bonds (distance) P-C4' energy: -12.593 flat angles C4'-P-C4' energy: -14.989 flat angles P-C4'-P energy: -8.642 tors. eta vs tors. theta energy: -8.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -94.317237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.317237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.317237 (E_RNA) where: Base-Base interactions energy: -35.616 where: short stacking energy: -25.470 Base-Backbone interact. energy: -1.063 local terms energy: -57.638200 where: bonds (distance) C4'-P energy: -14.622 bonds (distance) P-C4' energy: -13.061 flat angles C4'-P-C4' energy: -15.076 flat angles P-C4'-P energy: -13.244 tors. eta vs tors. theta energy: -1.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -293.230817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.230817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.230817 (E_RNA) where: Base-Base interactions energy: -202.463 where: short stacking energy: -90.388 Base-Backbone interact. energy: -1.965 local terms energy: -88.802984 where: bonds (distance) C4'-P energy: -18.117 bonds (distance) P-C4' energy: -19.098 flat angles C4'-P-C4' energy: -16.852 flat angles P-C4'-P energy: -12.053 tors. eta vs tors. theta energy: -22.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -290.258846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.258846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.258846 (E_RNA) where: Base-Base interactions energy: -204.371 where: short stacking energy: -87.978 Base-Backbone interact. energy: -1.521 local terms energy: -84.367052 where: bonds (distance) C4'-P energy: -17.071 bonds (distance) P-C4' energy: -17.031 flat angles C4'-P-C4' energy: -16.880 flat angles P-C4'-P energy: -11.573 tors. eta vs tors. theta energy: -21.813 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: 2 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -242.768536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.768536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.768536 (E_RNA) where: Base-Base interactions energy: -161.498 where: short stacking energy: -81.149 Base-Backbone interact. energy: -0.616 local terms energy: -80.655437 where: bonds (distance) C4'-P energy: -17.228 bonds (distance) P-C4' energy: -15.924 flat angles C4'-P-C4' energy: -18.384 flat angles P-C4'-P energy: -11.357 tors. eta vs tors. theta energy: -17.762 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: 6 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -242.643268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.643268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.643268 (E_RNA) where: Base-Base interactions energy: -170.465 where: short stacking energy: -85.173 Base-Backbone interact. energy: -0.321 local terms energy: -71.857538 where: bonds (distance) C4'-P energy: -8.874 bonds (distance) P-C4' energy: -13.179 flat angles C4'-P-C4' energy: -17.324 flat angles P-C4'-P energy: -11.555 tors. eta vs tors. theta energy: -20.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -232.541755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.541755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.541755 (E_RNA) where: Base-Base interactions energy: -151.386 where: short stacking energy: -74.589 Base-Backbone interact. energy: -0.120 local terms energy: -81.035494 where: bonds (distance) C4'-P energy: -16.523 bonds (distance) P-C4' energy: -16.840 flat angles C4'-P-C4' energy: -19.415 flat angles P-C4'-P energy: -11.797 tors. eta vs tors. theta energy: -16.461 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: 8 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -240.573939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.573939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.573939 (E_RNA) where: Base-Base interactions energy: -166.959 where: short stacking energy: -69.223 Base-Backbone interact. energy: -1.426 local terms energy: -72.188447 where: bonds (distance) C4'-P energy: -16.731 bonds (distance) P-C4' energy: -15.526 flat angles C4'-P-C4' energy: -16.349 flat angles P-C4'-P energy: -8.039 tors. eta vs tors. theta energy: -15.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -189.746894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.746894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.746894 (E_RNA) where: Base-Base interactions energy: -115.653 where: short stacking energy: -65.151 Base-Backbone interact. energy: -0.007 local terms energy: -74.087289 where: bonds (distance) C4'-P energy: -12.720 bonds (distance) P-C4' energy: -15.512 flat angles C4'-P-C4' energy: -16.479 flat angles P-C4'-P energy: -11.964 tors. eta vs tors. theta energy: -17.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -191.786069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.786069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.786069 (E_RNA) where: Base-Base interactions energy: -113.833 where: short stacking energy: -61.483 Base-Backbone interact. energy: -0.223 local terms energy: -77.729942 where: bonds (distance) C4'-P energy: -15.297 bonds (distance) P-C4' energy: -16.191 flat angles C4'-P-C4' energy: -16.405 flat angles P-C4'-P energy: -10.572 tors. eta vs tors. theta energy: -19.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -175.997245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.997245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.997245 (E_RNA) where: Base-Base interactions energy: -113.338 where: short stacking energy: -69.073 Base-Backbone interact. energy: -0.204 local terms energy: -62.455400 where: bonds (distance) C4'-P energy: -17.692 bonds (distance) P-C4' energy: -15.381 flat angles C4'-P-C4' energy: -7.025 flat angles P-C4'-P energy: -9.492 tors. eta vs tors. theta energy: -12.865 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: 5 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -103.875040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.875040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.875040 (E_RNA) where: Base-Base interactions energy: -51.689 where: short stacking energy: -28.410 Base-Backbone interact. energy: -0.594 local terms energy: -51.591911 where: bonds (distance) C4'-P energy: -19.564 bonds (distance) P-C4' energy: -16.255 flat angles C4'-P-C4' energy: -10.492 flat angles P-C4'-P energy: -6.876 tors. eta vs tors. theta energy: 1.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -284.532859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.532859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.532859 (E_RNA) where: Base-Base interactions energy: -195.103 where: short stacking energy: -91.267 Base-Backbone interact. energy: -2.238 local terms energy: -87.192149 where: bonds (distance) C4'-P energy: -17.502 bonds (distance) P-C4' energy: -14.355 flat angles C4'-P-C4' energy: -21.017 flat angles P-C4'-P energy: -11.277 tors. eta vs tors. theta energy: -23.041 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: 7 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -286.972351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.972351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.972351 (E_RNA) where: Base-Base interactions energy: -196.672 where: short stacking energy: -91.958 Base-Backbone interact. energy: -0.136 local terms energy: -90.164137 where: bonds (distance) C4'-P energy: -18.093 bonds (distance) P-C4' energy: -18.818 flat angles C4'-P-C4' energy: -19.809 flat angles P-C4'-P energy: -11.198 tors. eta vs tors. theta energy: -22.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -262.205704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.205704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.205704 (E_RNA) where: Base-Base interactions energy: -180.392 where: short stacking energy: -98.160 Base-Backbone interact. energy: -0.078 local terms energy: -81.735608 where: bonds (distance) C4'-P energy: -16.918 bonds (distance) P-C4' energy: -17.595 flat angles C4'-P-C4' energy: -16.508 flat angles P-C4'-P energy: -7.680 tors. eta vs tors. theta energy: -23.034 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: 2 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -244.427386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.427386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.427386 (E_RNA) where: Base-Base interactions energy: -163.627 where: short stacking energy: -85.371 Base-Backbone interact. energy: -1.111 local terms energy: -79.690038 where: bonds (distance) C4'-P energy: -16.794 bonds (distance) P-C4' energy: -14.848 flat angles C4'-P-C4' energy: -16.951 flat angles P-C4'-P energy: -12.844 tors. eta vs tors. theta energy: -18.253 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: 10 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -232.599353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.599353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.599353 (E_RNA) where: Base-Base interactions energy: -153.264 where: short stacking energy: -75.427 Base-Backbone interact. energy: -0.002 local terms energy: -79.333541 where: bonds (distance) C4'-P energy: -16.099 bonds (distance) P-C4' energy: -19.013 flat angles C4'-P-C4' energy: -18.718 flat angles P-C4'-P energy: -10.824 tors. eta vs tors. theta energy: -14.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -252.423891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.423891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.423891 (E_RNA) where: Base-Base interactions energy: -176.240 where: short stacking energy: -74.211 Base-Backbone interact. energy: 0.763 local terms energy: -76.946337 where: bonds (distance) C4'-P energy: -19.696 bonds (distance) P-C4' energy: -15.452 flat angles C4'-P-C4' energy: -14.121 flat angles P-C4'-P energy: -12.491 tors. eta vs tors. theta energy: -15.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -193.364805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.364805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.364805 (E_RNA) where: Base-Base interactions energy: -121.724 where: short stacking energy: -66.276 Base-Backbone interact. energy: -0.096 local terms energy: -71.545421 where: bonds (distance) C4'-P energy: -16.066 bonds (distance) P-C4' energy: -16.650 flat angles C4'-P-C4' energy: -17.427 flat angles P-C4'-P energy: -9.953 tors. eta vs tors. theta energy: -11.450 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: 54 Temperature: 1.250000 Total energy: -192.099904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.099904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.099904 (E_RNA) where: Base-Base interactions energy: -124.006 where: short stacking energy: -78.288 Base-Backbone interact. energy: 1.037 local terms energy: -69.131296 where: bonds (distance) C4'-P energy: -12.257 bonds (distance) P-C4' energy: -15.795 flat angles C4'-P-C4' energy: -16.045 flat angles P-C4'-P energy: -11.361 tors. eta vs tors. theta energy: -13.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -192.554841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.554841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.554841 (E_RNA) where: Base-Base interactions energy: -119.784 where: short stacking energy: -65.585 Base-Backbone interact. energy: -0.009 local terms energy: -72.761675 where: bonds (distance) C4'-P energy: -18.156 bonds (distance) P-C4' energy: -5.096 flat angles C4'-P-C4' energy: -18.836 flat angles P-C4'-P energy: -12.198 tors. eta vs tors. theta energy: -18.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -92.245460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.245460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.245460 (E_RNA) where: Base-Base interactions energy: -41.605 where: short stacking energy: -33.978 Base-Backbone interact. energy: -0.347 local terms energy: -50.293240 where: bonds (distance) C4'-P energy: -14.723 bonds (distance) P-C4' energy: -14.170 flat angles C4'-P-C4' energy: -14.169 flat angles P-C4'-P energy: -3.467 tors. eta vs tors. theta energy: -3.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -289.483540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.483540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.483540 (E_RNA) where: Base-Base interactions energy: -202.227 where: short stacking energy: -97.010 Base-Backbone interact. energy: -0.445 local terms energy: -86.812254 where: bonds (distance) C4'-P energy: -20.437 bonds (distance) P-C4' energy: -15.315 flat angles C4'-P-C4' energy: -17.363 flat angles P-C4'-P energy: -12.485 tors. eta vs tors. theta energy: -21.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -296.107876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.107876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.107876 (E_RNA) where: Base-Base interactions energy: -208.412 where: short stacking energy: -92.070 Base-Backbone interact. energy: -1.989 local terms energy: -85.707025 where: bonds (distance) C4'-P energy: -15.692 bonds (distance) P-C4' energy: -18.482 flat angles C4'-P-C4' energy: -19.922 flat angles P-C4'-P energy: -9.644 tors. eta vs tors. theta energy: -21.966 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: 6 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -268.763365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.763365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.763365 (E_RNA) where: Base-Base interactions energy: -178.096 where: short stacking energy: -91.250 Base-Backbone interact. energy: 0.084 local terms energy: -90.751699 where: bonds (distance) C4'-P energy: -15.213 bonds (distance) P-C4' energy: -20.337 flat angles C4'-P-C4' energy: -16.745 flat angles P-C4'-P energy: -13.105 tors. eta vs tors. theta energy: -25.352 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: 10 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -240.582774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.582774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.582774 (E_RNA) where: Base-Base interactions energy: -162.738 where: short stacking energy: -81.074 Base-Backbone interact. energy: -0.455 local terms energy: -77.389497 where: bonds (distance) C4'-P energy: -12.505 bonds (distance) P-C4' energy: -17.954 flat angles C4'-P-C4' energy: -18.323 flat angles P-C4'-P energy: -8.486 tors. eta vs tors. theta energy: -20.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -248.495574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.495574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.495574 (E_RNA) where: Base-Base interactions energy: -174.743 where: short stacking energy: -90.042 Base-Backbone interact. energy: -0.366 local terms energy: -73.386374 where: bonds (distance) C4'-P energy: -18.412 bonds (distance) P-C4' energy: -14.365 flat angles C4'-P-C4' energy: -12.189 flat angles P-C4'-P energy: -6.848 tors. eta vs tors. theta energy: -21.572 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: 8 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -233.874886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.874886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.874886 (E_RNA) where: Base-Base interactions energy: -168.710 where: short stacking energy: -74.917 Base-Backbone interact. energy: -1.210 local terms energy: -63.954933 where: bonds (distance) C4'-P energy: -11.271 bonds (distance) P-C4' energy: -14.936 flat angles C4'-P-C4' energy: -12.989 flat angles P-C4'-P energy: -10.772 tors. eta vs tors. theta energy: -13.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -180.970861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.970861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.970861 (E_RNA) where: Base-Base interactions energy: -121.164 where: short stacking energy: -57.974 Base-Backbone interact. energy: -0.938 local terms energy: -58.869260 where: bonds (distance) C4'-P energy: -13.130 bonds (distance) P-C4' energy: -10.362 flat angles C4'-P-C4' energy: -17.995 flat angles P-C4'-P energy: -10.400 tors. eta vs tors. theta energy: -6.981 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: 1 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -169.768358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.768358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.768358 (E_RNA) where: Base-Base interactions energy: -106.503 where: short stacking energy: -55.234 Base-Backbone interact. energy: -0.130 local terms energy: -63.135406 where: bonds (distance) C4'-P energy: -17.034 bonds (distance) P-C4' energy: -14.961 flat angles C4'-P-C4' energy: -11.931 flat angles P-C4'-P energy: -9.132 tors. eta vs tors. theta energy: -10.077 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: 9 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -168.034197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.034197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.034197 (E_RNA) where: Base-Base interactions energy: -106.813 where: short stacking energy: -55.820 Base-Backbone interact. energy: -1.396 local terms energy: -59.826019 where: bonds (distance) C4'-P energy: -13.921 bonds (distance) P-C4' energy: -12.875 flat angles C4'-P-C4' energy: -16.289 flat angles P-C4'-P energy: -6.803 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: 10, replica: 5 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -107.379132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.379132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.379132 (E_RNA) where: Base-Base interactions energy: -48.486 where: short stacking energy: -44.140 Base-Backbone interact. energy: -0.065 local terms energy: -58.828050 where: bonds (distance) C4'-P energy: -13.138 bonds (distance) P-C4' energy: -15.520 flat angles C4'-P-C4' energy: -16.507 flat angles P-C4'-P energy: -7.866 tors. eta vs tors. theta energy: -5.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -290.115354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.115354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.115354 (E_RNA) where: Base-Base interactions energy: -211.234 where: short stacking energy: -93.138 Base-Backbone interact. energy: -0.770 local terms energy: -78.111864 where: bonds (distance) C4'-P energy: -13.497 bonds (distance) P-C4' energy: -14.963 flat angles C4'-P-C4' energy: -19.547 flat angles P-C4'-P energy: -8.884 tors. eta vs tors. theta energy: -21.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -272.696033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.696033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.696033 (E_RNA) where: Base-Base interactions energy: -193.582 where: short stacking energy: -89.437 Base-Backbone interact. energy: -0.551 local terms energy: -78.562524 where: bonds (distance) C4'-P energy: -16.322 bonds (distance) P-C4' energy: -15.290 flat angles C4'-P-C4' energy: -16.442 flat angles P-C4'-P energy: -9.414 tors. eta vs tors. theta energy: -21.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -256.493092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.493092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.493092 (E_RNA) where: Base-Base interactions energy: -173.347 where: short stacking energy: -91.082 Base-Backbone interact. energy: -0.423 local terms energy: -82.722540 where: bonds (distance) C4'-P energy: -12.607 bonds (distance) P-C4' energy: -16.267 flat angles C4'-P-C4' energy: -19.710 flat angles P-C4'-P energy: -11.238 tors. eta vs tors. theta energy: -22.901 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: 10 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -245.768431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.768431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.768431 (E_RNA) where: Base-Base interactions energy: -159.373 where: short stacking energy: -83.827 Base-Backbone interact. energy: -0.379 local terms energy: -86.016482 where: bonds (distance) C4'-P energy: -13.260 bonds (distance) P-C4' energy: -19.976 flat angles C4'-P-C4' energy: -17.318 flat angles P-C4'-P energy: -12.567 tors. eta vs tors. theta energy: -22.896 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: 2 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -246.605294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.605294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.605294 (E_RNA) where: Base-Base interactions energy: -159.871 where: short stacking energy: -79.766 Base-Backbone interact. energy: 0.244 local terms energy: -86.978552 where: bonds (distance) C4'-P energy: -15.622 bonds (distance) P-C4' energy: -19.076 flat angles C4'-P-C4' energy: -21.690 flat angles P-C4'-P energy: -8.663 tors. eta vs tors. theta energy: -21.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -221.024175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.024175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.024175 (E_RNA) where: Base-Base interactions energy: -149.203 where: short stacking energy: -70.554 Base-Backbone interact. energy: -0.489 local terms energy: -71.331787 where: bonds (distance) C4'-P energy: -12.837 bonds (distance) P-C4' energy: -14.077 flat angles C4'-P-C4' energy: -18.328 flat angles P-C4'-P energy: -13.180 tors. eta vs tors. theta energy: -12.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -170.578876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.578876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.578876 (E_RNA) where: Base-Base interactions energy: -115.060 where: short stacking energy: -64.551 Base-Backbone interact. energy: -0.676 local terms energy: -54.841973 where: bonds (distance) C4'-P energy: -12.000 bonds (distance) P-C4' energy: -13.477 flat angles C4'-P-C4' energy: -11.516 flat angles P-C4'-P energy: -6.651 tors. eta vs tors. theta energy: -11.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -165.106544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.106544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.106544 (E_RNA) where: Base-Base interactions energy: -104.073 where: short stacking energy: -55.952 Base-Backbone interact. energy: -0.092 local terms energy: -60.941339 where: bonds (distance) C4'-P energy: -15.070 bonds (distance) P-C4' energy: -15.276 flat angles C4'-P-C4' energy: -12.376 flat angles P-C4'-P energy: -11.547 tors. eta vs tors. theta energy: -6.672 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: 9, replica: 5 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -105.552317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.552317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.552317 (E_RNA) where: Base-Base interactions energy: -45.855 where: short stacking energy: -45.679 Base-Backbone interact. energy: -0.639 local terms energy: -59.057686 where: bonds (distance) C4'-P energy: -16.740 bonds (distance) P-C4' energy: -16.043 flat angles C4'-P-C4' energy: -15.747 flat angles P-C4'-P energy: -5.623 tors. eta vs tors. theta energy: -4.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -176.744903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.744903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.744903 (E_RNA) where: Base-Base interactions energy: -109.411 where: short stacking energy: -51.965 Base-Backbone interact. energy: -0.632 local terms energy: -66.701960 where: bonds (distance) C4'-P energy: -12.819 bonds (distance) P-C4' energy: -14.728 flat angles C4'-P-C4' energy: -15.088 flat angles P-C4'-P energy: -11.193 tors. eta vs tors. theta energy: -12.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -289.299898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.299898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.299898 (E_RNA) where: Base-Base interactions energy: -206.309 where: short stacking energy: -87.998 Base-Backbone interact. energy: -0.961 local terms energy: -82.029822 where: bonds (distance) C4'-P energy: -13.180 bonds (distance) P-C4' energy: -18.171 flat angles C4'-P-C4' energy: -17.831 flat angles P-C4'-P energy: -11.848 tors. eta vs tors. theta energy: -21.000 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: 2, replica: 6 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -257.363890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.363890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.363890 (E_RNA) where: Base-Base interactions energy: -174.322 where: short stacking energy: -81.876 Base-Backbone interact. energy: -1.108 local terms energy: -81.933898 where: bonds (distance) C4'-P energy: -15.117 bonds (distance) P-C4' energy: -19.700 flat angles C4'-P-C4' energy: -16.604 flat angles P-C4'-P energy: -10.102 tors. eta vs tors. theta energy: -20.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -274.862205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.862205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.862205 (E_RNA) where: Base-Base interactions energy: -191.272 where: short stacking energy: -79.986 Base-Backbone interact. energy: -2.305 local terms energy: -81.285084 where: bonds (distance) C4'-P energy: -18.375 bonds (distance) P-C4' energy: -14.001 flat angles C4'-P-C4' energy: -18.218 flat angles P-C4'-P energy: -11.140 tors. eta vs tors. theta energy: -19.552 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: 10 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -249.819733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.819733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.819733 (E_RNA) where: Base-Base interactions energy: -168.265 where: short stacking energy: -85.477 Base-Backbone interact. energy: 0.057 local terms energy: -81.611534 where: bonds (distance) C4'-P energy: -12.857 bonds (distance) P-C4' energy: -17.605 flat angles C4'-P-C4' energy: -17.833 flat angles P-C4'-P energy: -10.109 tors. eta vs tors. theta energy: -23.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -232.455350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.455350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.455350 (E_RNA) where: Base-Base interactions energy: -157.098 where: short stacking energy: -80.010 Base-Backbone interact. energy: -0.225 local terms energy: -75.132274 where: bonds (distance) C4'-P energy: -16.334 bonds (distance) P-C4' energy: -18.018 flat angles C4'-P-C4' energy: -15.033 flat angles P-C4'-P energy: -8.218 tors. eta vs tors. theta energy: -17.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -197.889914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.889914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.889914 (E_RNA) where: Base-Base interactions energy: -133.884 where: short stacking energy: -65.718 Base-Backbone interact. energy: -0.970 local terms energy: -63.035559 where: bonds (distance) C4'-P energy: -15.187 bonds (distance) P-C4' energy: -9.222 flat angles C4'-P-C4' energy: -15.837 flat angles P-C4'-P energy: -8.986 tors. eta vs tors. theta energy: -13.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -224.657672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.657672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.657672 (E_RNA) where: Base-Base interactions energy: -151.042 where: short stacking energy: -74.366 Base-Backbone interact. energy: -0.054 local terms energy: -73.562126 where: bonds (distance) C4'-P energy: -17.552 bonds (distance) P-C4' energy: -13.432 flat angles C4'-P-C4' energy: -18.455 flat angles P-C4'-P energy: -12.869 tors. eta vs tors. theta energy: -11.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -178.680901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.680901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.680901 (E_RNA) where: Base-Base interactions energy: -112.920 where: short stacking energy: -58.056 Base-Backbone interact. energy: 1.230 local terms energy: -66.990732 where: bonds (distance) C4'-P energy: -17.309 bonds (distance) P-C4' energy: -18.401 flat angles C4'-P-C4' energy: -14.675 flat angles P-C4'-P energy: -6.575 tors. eta vs tors. theta energy: -10.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -100.029359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.029359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.029359 (E_RNA) where: Base-Base interactions energy: -47.182 where: short stacking energy: -38.708 Base-Backbone interact. energy: 0.815 local terms energy: -53.662703 where: bonds (distance) C4'-P energy: -13.076 bonds (distance) P-C4' energy: -18.405 flat angles C4'-P-C4' energy: -14.469 flat angles P-C4'-P energy: -7.845 tors. eta vs tors. theta energy: 0.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -164.140867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.140867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.140867 (E_RNA) where: Base-Base interactions energy: -104.836 where: short stacking energy: -55.326 Base-Backbone interact. energy: 0.118 local terms energy: -59.423501 where: bonds (distance) C4'-P energy: -11.880 bonds (distance) P-C4' energy: -18.665 flat angles C4'-P-C4' energy: -17.373 flat angles P-C4'-P energy: -3.593 tors. eta vs tors. theta energy: -7.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -286.837407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.837407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.837407 (E_RNA) where: Base-Base interactions energy: -206.874 where: short stacking energy: -93.081 Base-Backbone interact. energy: -2.910 local terms energy: -77.053584 where: bonds (distance) C4'-P energy: -15.420 bonds (distance) P-C4' energy: -15.177 flat angles C4'-P-C4' energy: -14.506 flat angles P-C4'-P energy: -11.032 tors. eta vs tors. theta energy: -20.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -254.481714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.481714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.481714 (E_RNA) where: Base-Base interactions energy: -172.171 where: short stacking energy: -84.373 Base-Backbone interact. energy: -0.492 local terms energy: -81.817955 where: bonds (distance) C4'-P energy: -18.026 bonds (distance) P-C4' energy: -20.233 flat angles C4'-P-C4' energy: -15.245 flat angles P-C4'-P energy: -9.312 tors. eta vs tors. theta energy: -19.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -280.469310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.469310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.469310 (E_RNA) where: Base-Base interactions energy: -198.258 where: short stacking energy: -81.185 Base-Backbone interact. energy: -0.910 local terms energy: -81.301632 where: bonds (distance) C4'-P energy: -19.113 bonds (distance) P-C4' energy: -14.377 flat angles C4'-P-C4' energy: -16.014 flat angles P-C4'-P energy: -10.012 tors. eta vs tors. theta energy: -21.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -246.182954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.182954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.182954 (E_RNA) where: Base-Base interactions energy: -167.711 where: short stacking energy: -75.251 Base-Backbone interact. energy: -0.318 local terms energy: -78.154034 where: bonds (distance) C4'-P energy: -11.764 bonds (distance) P-C4' energy: -17.425 flat angles C4'-P-C4' energy: -21.916 flat angles P-C4'-P energy: -11.041 tors. eta vs tors. theta energy: -16.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -223.456699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.456699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.456699 (E_RNA) where: Base-Base interactions energy: -152.012 where: short stacking energy: -71.712 Base-Backbone interact. energy: 1.209 local terms energy: -72.653802 where: bonds (distance) C4'-P energy: -13.073 bonds (distance) P-C4' energy: -17.223 flat angles C4'-P-C4' energy: -17.961 flat angles P-C4'-P energy: -10.397 tors. eta vs tors. theta energy: -14.001 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: 1 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -190.266687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.266687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.266687 (E_RNA) where: Base-Base interactions energy: -122.743 where: short stacking energy: -64.171 Base-Backbone interact. energy: -1.021 local terms energy: -66.502192 where: bonds (distance) C4'-P energy: -12.020 bonds (distance) P-C4' energy: -16.210 flat angles C4'-P-C4' energy: -11.303 flat angles P-C4'-P energy: -12.528 tors. eta vs tors. theta energy: -14.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -208.921181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.921181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.921181 (E_RNA) where: Base-Base interactions energy: -138.198 where: short stacking energy: -64.331 Base-Backbone interact. energy: -0.196 local terms energy: -70.526503 where: bonds (distance) C4'-P energy: -15.118 bonds (distance) P-C4' energy: -14.791 flat angles C4'-P-C4' energy: -16.018 flat angles P-C4'-P energy: -13.077 tors. eta vs tors. theta energy: -11.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -187.290882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.290882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.290882 (E_RNA) where: Base-Base interactions energy: -122.930 where: short stacking energy: -68.879 Base-Backbone interact. energy: -0.436 local terms energy: -63.925547 where: bonds (distance) C4'-P energy: -14.836 bonds (distance) P-C4' energy: -16.840 flat angles C4'-P-C4' energy: -9.600 flat angles P-C4'-P energy: -6.928 tors. eta vs tors. theta energy: -15.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -154.948346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.948346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.948346 (E_RNA) where: Base-Base interactions energy: -97.524 where: short stacking energy: -43.244 Base-Backbone interact. energy: -0.488 local terms energy: -56.936527 where: bonds (distance) C4'-P energy: -13.847 bonds (distance) P-C4' energy: -18.030 flat angles C4'-P-C4' energy: -13.410 flat angles P-C4'-P energy: -5.695 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: 10, replica: 5 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -95.860187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.860187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.860187 (E_RNA) where: Base-Base interactions energy: -50.626 where: short stacking energy: -43.136 Base-Backbone interact. energy: 1.976 local terms energy: -47.210911 where: bonds (distance) C4'-P energy: -12.185 bonds (distance) P-C4' energy: -5.968 flat angles C4'-P-C4' energy: -12.722 flat angles P-C4'-P energy: -9.425 tors. eta vs tors. theta energy: -6.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -289.829107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.829107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.829107 (E_RNA) where: Base-Base interactions energy: -200.895 where: short stacking energy: -83.614 Base-Backbone interact. energy: -0.790 local terms energy: -88.144007 where: bonds (distance) C4'-P energy: -17.758 bonds (distance) P-C4' energy: -18.451 flat angles C4'-P-C4' energy: -18.863 flat angles P-C4'-P energy: -11.848 tors. eta vs tors. theta energy: -21.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -292.028918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.028918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.028918 (E_RNA) where: Base-Base interactions energy: -200.966 where: short stacking energy: -89.378 Base-Backbone interact. energy: -4.027 local terms energy: -87.036096 where: bonds (distance) C4'-P energy: -16.909 bonds (distance) P-C4' energy: -16.901 flat angles C4'-P-C4' energy: -20.575 flat angles P-C4'-P energy: -10.047 tors. eta vs tors. theta energy: -22.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -261.276198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.276198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.276198 (E_RNA) where: Base-Base interactions energy: -180.128 where: short stacking energy: -86.733 Base-Backbone interact. energy: -0.886 local terms energy: -80.262219 where: bonds (distance) C4'-P energy: -14.777 bonds (distance) P-C4' energy: -15.532 flat angles C4'-P-C4' energy: -18.851 flat angles P-C4'-P energy: -8.833 tors. eta vs tors. theta energy: -22.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -228.526252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.526252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.526252 (E_RNA) where: Base-Base interactions energy: -150.366 where: short stacking energy: -79.461 Base-Backbone interact. energy: -0.002 local terms energy: -78.158311 where: bonds (distance) C4'-P energy: -18.003 bonds (distance) P-C4' energy: -15.890 flat angles C4'-P-C4' energy: -14.390 flat angles P-C4'-P energy: -10.698 tors. eta vs tors. theta energy: -19.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -227.095222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.095222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.095222 (E_RNA) where: Base-Base interactions energy: -156.108 where: short stacking energy: -74.376 Base-Backbone interact. energy: -0.012 local terms energy: -70.975987 where: bonds (distance) C4'-P energy: -17.672 bonds (distance) P-C4' energy: -11.316 flat angles C4'-P-C4' energy: -15.774 flat angles P-C4'-P energy: -8.548 tors. eta vs tors. theta energy: -17.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -209.024846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.024846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.024846 (E_RNA) where: Base-Base interactions energy: -136.288 where: short stacking energy: -64.386 Base-Backbone interact. energy: -0.560 local terms energy: -72.177065 where: bonds (distance) C4'-P energy: -14.368 bonds (distance) P-C4' energy: -20.004 flat angles C4'-P-C4' energy: -16.437 flat angles P-C4'-P energy: -13.078 tors. eta vs tors. theta energy: -8.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -183.647578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.647578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.647578 (E_RNA) where: Base-Base interactions energy: -111.504 where: short stacking energy: -61.924 Base-Backbone interact. energy: -0.582 local terms energy: -71.561257 where: bonds (distance) C4'-P energy: -11.839 bonds (distance) P-C4' energy: -19.470 flat angles C4'-P-C4' energy: -14.824 flat angles P-C4'-P energy: -12.179 tors. eta vs tors. theta energy: -13.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -174.879444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.879444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.879444 (E_RNA) where: Base-Base interactions energy: -109.148 where: short stacking energy: -64.451 Base-Backbone interact. energy: -0.002 local terms energy: -65.729622 where: bonds (distance) C4'-P energy: -13.759 bonds (distance) P-C4' energy: -13.792 flat angles C4'-P-C4' energy: -15.464 flat angles P-C4'-P energy: -9.603 tors. eta vs tors. theta energy: -13.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -183.082450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.082450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.082450 (E_RNA) where: Base-Base interactions energy: -123.053 where: short stacking energy: -55.069 Base-Backbone interact. energy: -0.014 local terms energy: -60.015409 where: bonds (distance) C4'-P energy: -9.201 bonds (distance) P-C4' energy: -14.601 flat angles C4'-P-C4' energy: -10.949 flat angles P-C4'-P energy: -12.822 tors. eta vs tors. theta energy: -12.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -112.770003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.770003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.770003 (E_RNA) where: Base-Base interactions energy: -67.393 where: short stacking energy: -40.961 Base-Backbone interact. energy: -0.474 local terms energy: -44.903742 where: bonds (distance) C4'-P energy: -14.443 bonds (distance) P-C4' energy: -13.708 flat angles C4'-P-C4' energy: -14.637 flat angles P-C4'-P energy: 3.248 tors. eta vs tors. theta energy: -5.363 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: 7 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -290.473188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.473188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.473188 (E_RNA) where: Base-Base interactions energy: -204.760 where: short stacking energy: -90.887 Base-Backbone interact. energy: -2.466 local terms energy: -83.247233 where: bonds (distance) C4'-P energy: -13.337 bonds (distance) P-C4' energy: -17.709 flat angles C4'-P-C4' energy: -16.280 flat angles P-C4'-P energy: -11.767 tors. eta vs tors. theta energy: -24.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -289.997936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.997936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.997936 (E_RNA) where: Base-Base interactions energy: -206.447 where: short stacking energy: -86.000 Base-Backbone interact. energy: -2.201 local terms energy: -81.349482 where: bonds (distance) C4'-P energy: -17.050 bonds (distance) P-C4' energy: -17.265 flat angles C4'-P-C4' energy: -15.362 flat angles P-C4'-P energy: -11.141 tors. eta vs tors. theta energy: -20.531 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: 3, replica: 6 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -254.548909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.548909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.548909 (E_RNA) where: Base-Base interactions energy: -163.009 where: short stacking energy: -87.421 Base-Backbone interact. energy: -0.762 local terms energy: -90.778023 where: bonds (distance) C4'-P energy: -19.576 bonds (distance) P-C4' energy: -18.211 flat angles C4'-P-C4' energy: -18.044 flat angles P-C4'-P energy: -11.285 tors. eta vs tors. theta energy: -23.662 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: 4, replica: 2 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -240.881103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.881103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.881103 (E_RNA) where: Base-Base interactions energy: -162.857 where: short stacking energy: -77.177 Base-Backbone interact. energy: -0.013 local terms energy: -78.011105 where: bonds (distance) C4'-P energy: -17.076 bonds (distance) P-C4' energy: -13.572 flat angles C4'-P-C4' energy: -17.597 flat angles P-C4'-P energy: -9.074 tors. eta vs tors. theta energy: -20.693 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: 60 Temperature: 1.100000 Total energy: -231.131366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.131366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.131366 (E_RNA) where: Base-Base interactions energy: -156.749 where: short stacking energy: -72.880 Base-Backbone interact. energy: 0.902 local terms energy: -75.284863 where: bonds (distance) C4'-P energy: -15.987 bonds (distance) P-C4' energy: -15.762 flat angles C4'-P-C4' energy: -16.246 flat angles P-C4'-P energy: -8.004 tors. eta vs tors. theta energy: -19.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -206.398910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.398910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.398910 (E_RNA) where: Base-Base interactions energy: -137.724 where: short stacking energy: -58.575 Base-Backbone interact. energy: -0.407 local terms energy: -68.267731 where: bonds (distance) C4'-P energy: -15.842 bonds (distance) P-C4' energy: -16.554 flat angles C4'-P-C4' energy: -15.831 flat angles P-C4'-P energy: -12.184 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: 7, replica: 1 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -177.032105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.032105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.032105 (E_RNA) where: Base-Base interactions energy: -113.203 where: short stacking energy: -70.341 Base-Backbone interact. energy: -0.248 local terms energy: -63.581624 where: bonds (distance) C4'-P energy: -11.138 bonds (distance) P-C4' energy: -13.342 flat angles C4'-P-C4' energy: -15.456 flat angles P-C4'-P energy: -10.045 tors. eta vs tors. theta energy: -13.601 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: 4 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -180.499971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.499971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.499971 (E_RNA) where: Base-Base interactions energy: -103.515 where: short stacking energy: -55.528 Base-Backbone interact. energy: -0.237 local terms energy: -76.748198 where: bonds (distance) C4'-P energy: -17.366 bonds (distance) P-C4' energy: -19.439 flat angles C4'-P-C4' energy: -12.256 flat angles P-C4'-P energy: -11.597 tors. eta vs tors. theta energy: -16.089 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: 60 Temperature: 1.300000 Total energy: -191.993886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.993886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.993886 (E_RNA) where: Base-Base interactions energy: -126.660 where: short stacking energy: -62.097 Base-Backbone interact. energy: -0.105 local terms energy: -65.229673 where: bonds (distance) C4'-P energy: -8.278 bonds (distance) P-C4' energy: -17.902 flat angles C4'-P-C4' energy: -15.869 flat angles P-C4'-P energy: -8.469 tors. eta vs tors. theta energy: -14.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -106.313765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.313765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.313765 (E_RNA) where: Base-Base interactions energy: -55.320 where: short stacking energy: -47.523 Base-Backbone interact. energy: 0.791 local terms energy: -51.785255 where: bonds (distance) C4'-P energy: -13.889 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -7.392 flat angles P-C4'-P energy: -10.018 tors. eta vs tors. theta energy: -5.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -296.808126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.808126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.808126 (E_RNA) where: Base-Base interactions energy: -208.387 where: short stacking energy: -91.882 Base-Backbone interact. energy: -2.271 local terms energy: -86.149763 where: bonds (distance) C4'-P energy: -16.438 bonds (distance) P-C4' energy: -17.893 flat angles C4'-P-C4' energy: -17.194 flat angles P-C4'-P energy: -10.444 tors. eta vs tors. theta energy: -24.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -280.392997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.392997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.392997 (E_RNA) where: Base-Base interactions energy: -197.912 where: short stacking energy: -86.399 Base-Backbone interact. energy: 0.863 local terms energy: -83.343390 where: bonds (distance) C4'-P energy: -15.553 bonds (distance) P-C4' energy: -20.648 flat angles C4'-P-C4' energy: -18.140 flat angles P-C4'-P energy: -7.737 tors. eta vs tors. theta energy: -21.265 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: 6 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -238.939204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.939204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.939204 (E_RNA) where: Base-Base interactions energy: -160.205 where: short stacking energy: -82.614 Base-Backbone interact. energy: -1.486 local terms energy: -77.248030 where: bonds (distance) C4'-P energy: -12.476 bonds (distance) P-C4' energy: -15.642 flat angles C4'-P-C4' energy: -17.785 flat angles P-C4'-P energy: -9.590 tors. eta vs tors. theta energy: -21.755 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: 61 Temperature: 1.050000 Total energy: -236.735591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.735591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.735591 (E_RNA) where: Base-Base interactions energy: -169.020 where: short stacking energy: -85.001 Base-Backbone interact. energy: -0.437 local terms energy: -67.278295 where: bonds (distance) C4'-P energy: -15.784 bonds (distance) P-C4' energy: -17.390 flat angles C4'-P-C4' energy: -11.957 flat angles P-C4'-P energy: -9.872 tors. eta vs tors. theta energy: -12.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -228.172150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.172150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.172150 (E_RNA) where: Base-Base interactions energy: -157.452 where: short stacking energy: -76.632 Base-Backbone interact. energy: -0.004 local terms energy: -70.716726 where: bonds (distance) C4'-P energy: -14.918 bonds (distance) P-C4' energy: -14.563 flat angles C4'-P-C4' energy: -15.022 flat angles P-C4'-P energy: -12.610 tors. eta vs tors. theta energy: -13.603 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: 6, replica: 8 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -200.683192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.683192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.683192 (E_RNA) where: Base-Base interactions energy: -127.752 where: short stacking energy: -58.464 Base-Backbone interact. energy: -1.424 local terms energy: -71.507788 where: bonds (distance) C4'-P energy: -14.152 bonds (distance) P-C4' energy: -20.247 flat angles C4'-P-C4' energy: -16.132 flat angles P-C4'-P energy: -13.623 tors. eta vs tors. theta energy: -7.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -167.019301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.019301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.019301 (E_RNA) where: Base-Base interactions energy: -97.288 where: short stacking energy: -53.781 Base-Backbone interact. energy: -0.091 local terms energy: -69.640339 where: bonds (distance) C4'-P energy: -15.345 bonds (distance) P-C4' energy: -20.895 flat angles C4'-P-C4' energy: -12.862 flat angles P-C4'-P energy: -14.419 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: 8, replica: 9 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -157.180892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.180892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.180892 (E_RNA) where: Base-Base interactions energy: -101.786 where: short stacking energy: -55.389 Base-Backbone interact. energy: -0.224 local terms energy: -55.171058 where: bonds (distance) C4'-P energy: -9.979 bonds (distance) P-C4' energy: -15.399 flat angles C4'-P-C4' energy: -16.209 flat angles P-C4'-P energy: -10.679 tors. eta vs tors. theta energy: -2.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -174.387272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.387272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.387272 (E_RNA) where: Base-Base interactions energy: -112.204 where: short stacking energy: -56.938 Base-Backbone interact. energy: -0.498 local terms energy: -61.684932 where: bonds (distance) C4'-P energy: -20.018 bonds (distance) P-C4' energy: -11.556 flat angles C4'-P-C4' energy: -10.722 flat angles P-C4'-P energy: -7.014 tors. eta vs tors. theta energy: -12.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -90.753813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.753813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.753813 (E_RNA) where: Base-Base interactions energy: -35.620 where: short stacking energy: -35.620 Base-Backbone interact. energy: 0.434 local terms energy: -55.568132 where: bonds (distance) C4'-P energy: -16.162 bonds (distance) P-C4' energy: -17.834 flat angles C4'-P-C4' energy: -10.730 flat angles P-C4'-P energy: -11.006 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: 3 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -285.033836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.033836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.033836 (E_RNA) where: Base-Base interactions energy: -199.413 where: short stacking energy: -78.469 Base-Backbone interact. energy: -0.997 local terms energy: -84.623712 where: bonds (distance) C4'-P energy: -16.716 bonds (distance) P-C4' energy: -19.852 flat angles C4'-P-C4' energy: -18.938 flat angles P-C4'-P energy: -9.380 tors. eta vs tors. theta energy: -19.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -282.168296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.168296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.168296 (E_RNA) where: Base-Base interactions energy: -194.792 where: short stacking energy: -93.733 Base-Backbone interact. energy: -2.007 local terms energy: -85.368953 where: bonds (distance) C4'-P energy: -13.895 bonds (distance) P-C4' energy: -21.067 flat angles C4'-P-C4' energy: -15.318 flat angles P-C4'-P energy: -11.974 tors. eta vs tors. theta energy: -23.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -265.023527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.023527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.023527 (E_RNA) where: Base-Base interactions energy: -173.672 where: short stacking energy: -86.255 Base-Backbone interact. energy: -1.262 local terms energy: -90.090036 where: bonds (distance) C4'-P energy: -15.236 bonds (distance) P-C4' energy: -18.065 flat angles C4'-P-C4' energy: -19.717 flat angles P-C4'-P energy: -12.567 tors. eta vs tors. theta energy: -24.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -233.922637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.922637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.922637 (E_RNA) where: Base-Base interactions energy: -156.228 where: short stacking energy: -75.937 Base-Backbone interact. energy: -0.101 local terms energy: -77.593814 where: bonds (distance) C4'-P energy: -17.850 bonds (distance) P-C4' energy: -15.810 flat angles C4'-P-C4' energy: -18.758 flat angles P-C4'-P energy: -10.463 tors. eta vs tors. theta energy: -14.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -232.706539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.706539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.706539 (E_RNA) where: Base-Base interactions energy: -158.421 where: short stacking energy: -77.769 Base-Backbone interact. energy: -0.169 local terms energy: -74.116748 where: bonds (distance) C4'-P energy: -13.053 bonds (distance) P-C4' energy: -20.681 flat angles C4'-P-C4' energy: -16.190 flat angles P-C4'-P energy: -5.892 tors. eta vs tors. theta energy: -18.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -209.422470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.422470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.422470 (E_RNA) where: Base-Base interactions energy: -136.706 where: short stacking energy: -57.897 Base-Backbone interact. energy: -0.640 local terms energy: -72.076758 where: bonds (distance) C4'-P energy: -18.326 bonds (distance) P-C4' energy: -15.590 flat angles C4'-P-C4' energy: -16.898 flat angles P-C4'-P energy: -14.907 tors. eta vs tors. theta energy: -6.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -177.491301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.491301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.491301 (E_RNA) where: Base-Base interactions energy: -110.810 where: short stacking energy: -62.641 Base-Backbone interact. energy: -0.157 local terms energy: -66.524486 where: bonds (distance) C4'-P energy: -8.923 bonds (distance) P-C4' energy: -16.404 flat angles C4'-P-C4' energy: -18.271 flat angles P-C4'-P energy: -10.251 tors. eta vs tors. theta energy: -12.676 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: 62 Temperature: 1.250000 Total energy: -164.274771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.274771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.274771 (E_RNA) where: Base-Base interactions energy: -100.043 where: short stacking energy: -54.636 Base-Backbone interact. energy: -0.819 local terms energy: -63.412631 where: bonds (distance) C4'-P energy: -15.127 bonds (distance) P-C4' energy: -13.058 flat angles C4'-P-C4' energy: -16.223 flat angles P-C4'-P energy: -10.427 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: 9, replica: 4 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -179.263147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.263147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.263147 (E_RNA) where: Base-Base interactions energy: -128.194 where: short stacking energy: -73.214 Base-Backbone interact. energy: -0.649 local terms energy: -50.420566 where: bonds (distance) C4'-P energy: -11.946 bonds (distance) P-C4' energy: -13.026 flat angles C4'-P-C4' energy: -10.053 flat angles P-C4'-P energy: -4.567 tors. eta vs tors. theta energy: -10.828 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: 62 Temperature: 1.350000 Total energy: -95.669426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.669426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.669426 (E_RNA) where: Base-Base interactions energy: -34.328 where: short stacking energy: -34.328 Base-Backbone interact. energy: -0.049 local terms energy: -61.292979 where: bonds (distance) C4'-P energy: -16.317 bonds (distance) P-C4' energy: -13.878 flat angles C4'-P-C4' energy: -12.797 flat angles P-C4'-P energy: -13.374 tors. eta vs tors. theta energy: -4.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -292.966805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.966805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.966805 (E_RNA) where: Base-Base interactions energy: -204.353 where: short stacking energy: -89.642 Base-Backbone interact. energy: -3.205 local terms energy: -85.408562 where: bonds (distance) C4'-P energy: -18.090 bonds (distance) P-C4' energy: -16.868 flat angles C4'-P-C4' energy: -15.788 flat angles P-C4'-P energy: -12.551 tors. eta vs tors. theta energy: -22.112 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: 7 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -288.077750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.077750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.077750 (E_RNA) where: Base-Base interactions energy: -199.371 where: short stacking energy: -87.318 Base-Backbone interact. energy: -1.055 local terms energy: -87.650974 where: bonds (distance) C4'-P energy: -17.737 bonds (distance) P-C4' energy: -17.893 flat angles C4'-P-C4' energy: -18.863 flat angles P-C4'-P energy: -10.175 tors. eta vs tors. theta energy: -22.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -252.292947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.292947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.292947 (E_RNA) where: Base-Base interactions energy: -162.215 where: short stacking energy: -79.063 Base-Backbone interact. energy: -1.868 local terms energy: -88.209389 where: bonds (distance) C4'-P energy: -17.547 bonds (distance) P-C4' energy: -15.639 flat angles C4'-P-C4' energy: -18.314 flat angles P-C4'-P energy: -11.423 tors. eta vs tors. theta energy: -25.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -246.786660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.786660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.786660 (E_RNA) where: Base-Base interactions energy: -167.790 where: short stacking energy: -85.663 Base-Backbone interact. energy: -0.121 local terms energy: -78.875709 where: bonds (distance) C4'-P energy: -19.054 bonds (distance) P-C4' energy: -14.235 flat angles C4'-P-C4' energy: -20.002 flat angles P-C4'-P energy: -6.190 tors. eta vs tors. theta energy: -19.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -238.442512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.442512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.442512 (E_RNA) where: Base-Base interactions energy: -165.361 where: short stacking energy: -75.337 Base-Backbone interact. energy: -1.005 local terms energy: -72.076481 where: bonds (distance) C4'-P energy: -12.546 bonds (distance) P-C4' energy: -14.248 flat angles C4'-P-C4' energy: -18.423 flat angles P-C4'-P energy: -9.787 tors. eta vs tors. theta energy: -17.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -186.866972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.866972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.866972 (E_RNA) where: Base-Base interactions energy: -124.233 where: short stacking energy: -73.296 Base-Backbone interact. energy: -0.022 local terms energy: -62.612185 where: bonds (distance) C4'-P energy: -11.727 bonds (distance) P-C4' energy: -13.018 flat angles C4'-P-C4' energy: -18.649 flat angles P-C4'-P energy: -5.542 tors. eta vs tors. theta energy: -13.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -215.785956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.785956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.785956 (E_RNA) where: Base-Base interactions energy: -146.740 where: short stacking energy: -61.822 Base-Backbone interact. energy: -0.409 local terms energy: -68.636187 where: bonds (distance) C4'-P energy: -10.726 bonds (distance) P-C4' energy: -16.435 flat angles C4'-P-C4' energy: -13.083 flat angles P-C4'-P energy: -15.603 tors. eta vs tors. theta energy: -12.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -150.697279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.697279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.697279 (E_RNA) where: Base-Base interactions energy: -87.333 where: short stacking energy: -37.214 Base-Backbone interact. energy: -1.301 local terms energy: -62.062651 where: bonds (distance) C4'-P energy: -15.739 bonds (distance) P-C4' energy: -18.476 flat angles C4'-P-C4' energy: -16.396 flat angles P-C4'-P energy: -10.449 tors. eta vs tors. theta energy: -1.003 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: 9, replica: 9 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -152.296907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.296907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.296907 (E_RNA) where: Base-Base interactions energy: -102.276 where: short stacking energy: -47.577 Base-Backbone interact. energy: 0.188 local terms energy: -50.208410 where: bonds (distance) C4'-P energy: -15.982 bonds (distance) P-C4' energy: -16.564 flat angles C4'-P-C4' energy: -6.221 flat angles P-C4'-P energy: -8.184 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: 10, replica: 5 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -102.137209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.137209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.137209 (E_RNA) where: Base-Base interactions energy: -45.523 where: short stacking energy: -29.684 Base-Backbone interact. energy: -0.157 local terms energy: -56.457300 where: bonds (distance) C4'-P energy: -19.241 bonds (distance) P-C4' energy: -13.234 flat angles C4'-P-C4' energy: -17.141 flat angles P-C4'-P energy: -2.088 tors. eta vs tors. theta energy: -4.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -293.511756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.511756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.511756 (E_RNA) where: Base-Base interactions energy: -204.967 where: short stacking energy: -88.380 Base-Backbone interact. energy: -1.267 local terms energy: -87.277260 where: bonds (distance) C4'-P energy: -17.700 bonds (distance) P-C4' energy: -20.158 flat angles C4'-P-C4' energy: -19.936 flat angles P-C4'-P energy: -10.289 tors. eta vs tors. theta energy: -19.194 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: 2, replica: 3 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -282.734515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.734515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.734515 (E_RNA) where: Base-Base interactions energy: -206.252 where: short stacking energy: -88.874 Base-Backbone interact. energy: -0.891 local terms energy: -75.591424 where: bonds (distance) C4'-P energy: -16.925 bonds (distance) P-C4' energy: -15.215 flat angles C4'-P-C4' energy: -15.749 flat angles P-C4'-P energy: -8.917 tors. eta vs tors. theta energy: -18.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -261.858756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.858756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.858756 (E_RNA) where: Base-Base interactions energy: -176.839 where: short stacking energy: -87.525 Base-Backbone interact. energy: -0.643 local terms energy: -84.377489 where: bonds (distance) C4'-P energy: -17.469 bonds (distance) P-C4' energy: -18.947 flat angles C4'-P-C4' energy: -14.738 flat angles P-C4'-P energy: -11.844 tors. eta vs tors. theta energy: -21.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -248.696514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.696514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.696514 (E_RNA) where: Base-Base interactions energy: -161.417 where: short stacking energy: -81.179 Base-Backbone interact. energy: -0.885 local terms energy: -86.394867 where: bonds (distance) C4'-P energy: -17.053 bonds (distance) P-C4' energy: -18.532 flat angles C4'-P-C4' energy: -17.806 flat angles P-C4'-P energy: -11.388 tors. eta vs tors. theta energy: -21.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -232.854782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.854782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.854782 (E_RNA) where: Base-Base interactions energy: -155.931 where: short stacking energy: -69.706 Base-Backbone interact. energy: -1.322 local terms energy: -75.601962 where: bonds (distance) C4'-P energy: -17.370 bonds (distance) P-C4' energy: -16.899 flat angles C4'-P-C4' energy: -18.137 flat angles P-C4'-P energy: -7.405 tors. eta vs tors. theta energy: -15.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -176.013611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.013611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.013611 (E_RNA) where: Base-Base interactions energy: -114.420 where: short stacking energy: -67.299 Base-Backbone interact. energy: 0.927 local terms energy: -62.520214 where: bonds (distance) C4'-P energy: -12.259 bonds (distance) P-C4' energy: -14.049 flat angles C4'-P-C4' energy: -16.100 flat angles P-C4'-P energy: -11.661 tors. eta vs tors. theta energy: -8.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -214.999367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.999367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.999367 (E_RNA) where: Base-Base interactions energy: -150.017 where: short stacking energy: -62.566 Base-Backbone interact. energy: -0.779 local terms energy: -64.203441 where: bonds (distance) C4'-P energy: -13.035 bonds (distance) P-C4' energy: -15.384 flat angles C4'-P-C4' energy: -13.974 flat angles P-C4'-P energy: -13.161 tors. eta vs tors. theta energy: -8.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -164.859469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.859469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.859469 (E_RNA) where: Base-Base interactions energy: -99.626 where: short stacking energy: -55.799 Base-Backbone interact. energy: -0.178 local terms energy: -65.055885 where: bonds (distance) C4'-P energy: -13.267 bonds (distance) P-C4' energy: -16.775 flat angles C4'-P-C4' energy: -16.584 flat angles P-C4'-P energy: -12.132 tors. eta vs tors. theta energy: -6.299 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: 9 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -173.211760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.211760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.211760 (E_RNA) where: Base-Base interactions energy: -106.173 where: short stacking energy: -48.954 Base-Backbone interact. energy: 0.675 local terms energy: -67.713856 where: bonds (distance) C4'-P energy: -14.537 bonds (distance) P-C4' energy: -16.224 flat angles C4'-P-C4' energy: -17.838 flat angles P-C4'-P energy: -10.761 tors. eta vs tors. theta energy: -8.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -105.297761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.297761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.297761 (E_RNA) where: Base-Base interactions energy: -45.636 where: short stacking energy: -45.636 Base-Backbone interact. energy: -0.001 local terms energy: -59.660880 where: bonds (distance) C4'-P energy: -16.019 bonds (distance) P-C4' energy: -12.349 flat angles C4'-P-C4' energy: -14.383 flat angles P-C4'-P energy: -7.861 tors. eta vs tors. theta energy: -9.048 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: 7 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -297.698054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.698054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.698054 (E_RNA) where: Base-Base interactions energy: -212.842 where: short stacking energy: -98.177 Base-Backbone interact. energy: -0.073 local terms energy: -84.782507 where: bonds (distance) C4'-P energy: -14.927 bonds (distance) P-C4' energy: -19.263 flat angles C4'-P-C4' energy: -20.004 flat angles P-C4'-P energy: -9.753 tors. eta vs tors. theta energy: -20.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -276.286063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.286063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.286063 (E_RNA) where: Base-Base interactions energy: -192.201 where: short stacking energy: -82.875 Base-Backbone interact. energy: -2.248 local terms energy: -81.837617 where: bonds (distance) C4'-P energy: -13.102 bonds (distance) P-C4' energy: -16.656 flat angles C4'-P-C4' energy: -17.283 flat angles P-C4'-P energy: -11.344 tors. eta vs tors. theta energy: -23.453 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: 65 Temperature: 1.000000 Total energy: -253.812628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.812628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.812628 (E_RNA) where: Base-Base interactions energy: -171.999 where: short stacking energy: -85.824 Base-Backbone interact. energy: -0.390 local terms energy: -81.423329 where: bonds (distance) C4'-P energy: -12.973 bonds (distance) P-C4' energy: -18.809 flat angles C4'-P-C4' energy: -19.631 flat angles P-C4'-P energy: -7.483 tors. eta vs tors. theta energy: -22.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -236.332019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.332019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.332019 (E_RNA) where: Base-Base interactions energy: -156.798 where: short stacking energy: -80.942 Base-Backbone interact. energy: -0.126 local terms energy: -79.408046 where: bonds (distance) C4'-P energy: -14.969 bonds (distance) P-C4' energy: -18.669 flat angles C4'-P-C4' energy: -16.519 flat angles P-C4'-P energy: -9.334 tors. eta vs tors. theta energy: -19.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -244.825470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.825470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.825470 (E_RNA) where: Base-Base interactions energy: -160.262 where: short stacking energy: -83.809 Base-Backbone interact. energy: -0.688 local terms energy: -83.876225 where: bonds (distance) C4'-P energy: -16.483 bonds (distance) P-C4' energy: -19.545 flat angles C4'-P-C4' energy: -16.318 flat angles P-C4'-P energy: -11.919 tors. eta vs tors. theta energy: -19.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -223.263083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.263083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.263083 (E_RNA) where: Base-Base interactions energy: -150.192 where: short stacking energy: -67.145 Base-Backbone interact. energy: -1.077 local terms energy: -71.994303 where: bonds (distance) C4'-P energy: -12.642 bonds (distance) P-C4' energy: -17.087 flat angles C4'-P-C4' energy: -17.006 flat angles P-C4'-P energy: -10.932 tors. eta vs tors. theta energy: -14.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -163.297718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.297718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.297718 (E_RNA) where: Base-Base interactions energy: -105.658 where: short stacking energy: -62.926 Base-Backbone interact. energy: -0.148 local terms energy: -57.491956 where: bonds (distance) C4'-P energy: -13.945 bonds (distance) P-C4' energy: -9.642 flat angles C4'-P-C4' energy: -15.190 flat angles P-C4'-P energy: -6.347 tors. eta vs tors. theta energy: -12.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -171.484065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.484065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.484065 (E_RNA) where: Base-Base interactions energy: -108.346 where: short stacking energy: -52.482 Base-Backbone interact. energy: -0.862 local terms energy: -62.275708 where: bonds (distance) C4'-P energy: -11.737 bonds (distance) P-C4' energy: -16.173 flat angles C4'-P-C4' energy: -12.518 flat angles P-C4'-P energy: -11.191 tors. eta vs tors. theta energy: -10.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -169.283091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.283091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.283091 (E_RNA) where: Base-Base interactions energy: -117.298 where: short stacking energy: -60.960 Base-Backbone interact. energy: -0.675 local terms energy: -51.309857 where: bonds (distance) C4'-P energy: -8.978 bonds (distance) P-C4' energy: -14.351 flat angles C4'-P-C4' energy: -12.367 flat angles P-C4'-P energy: -7.158 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: 10, replica: 5 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -114.030196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.030196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.030196 (E_RNA) where: Base-Base interactions energy: -57.887 where: short stacking energy: -24.986 Base-Backbone interact. energy: -0.138 local terms energy: -56.005225 where: bonds (distance) C4'-P energy: -21.537 bonds (distance) P-C4' energy: -15.162 flat angles C4'-P-C4' energy: -8.991 flat angles P-C4'-P energy: -5.826 tors. eta vs tors. theta energy: -4.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -294.773526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.773526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.773526 (E_RNA) where: Base-Base interactions energy: -207.196 where: short stacking energy: -86.975 Base-Backbone interact. energy: -1.925 local terms energy: -85.652512 where: bonds (distance) C4'-P energy: -17.220 bonds (distance) P-C4' energy: -15.645 flat angles C4'-P-C4' energy: -17.897 flat angles P-C4'-P energy: -12.678 tors. eta vs tors. theta energy: -22.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -290.554470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.554470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.554470 (E_RNA) where: Base-Base interactions energy: -203.399 where: short stacking energy: -87.385 Base-Backbone interact. energy: -1.403 local terms energy: -85.753031 where: bonds (distance) C4'-P energy: -18.326 bonds (distance) P-C4' energy: -16.594 flat angles C4'-P-C4' energy: -19.472 flat angles P-C4'-P energy: -8.982 tors. eta vs tors. theta energy: -22.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -258.232172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.232172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.232172 (E_RNA) where: Base-Base interactions energy: -173.254 where: short stacking energy: -88.624 Base-Backbone interact. energy: -0.004 local terms energy: -84.974480 where: bonds (distance) C4'-P energy: -14.878 bonds (distance) P-C4' energy: -19.546 flat angles C4'-P-C4' energy: -17.966 flat angles P-C4'-P energy: -8.408 tors. eta vs tors. theta energy: -24.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -235.606470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.606470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.606470 (E_RNA) where: Base-Base interactions energy: -152.707 where: short stacking energy: -75.041 Base-Backbone interact. energy: -0.211 local terms energy: -82.688313 where: bonds (distance) C4'-P energy: -15.051 bonds (distance) P-C4' energy: -16.823 flat angles C4'-P-C4' energy: -21.350 flat angles P-C4'-P energy: -11.742 tors. eta vs tors. theta energy: -17.723 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: 10 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -223.348654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.348654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.348654 (E_RNA) where: Base-Base interactions energy: -154.379 where: short stacking energy: -73.017 Base-Backbone interact. energy: -0.117 local terms energy: -68.852777 where: bonds (distance) C4'-P energy: -17.374 bonds (distance) P-C4' energy: -17.106 flat angles C4'-P-C4' energy: -10.891 flat angles P-C4'-P energy: -8.696 tors. eta vs tors. theta energy: -14.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -221.351466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.351466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.351466 (E_RNA) where: Base-Base interactions energy: -146.514 where: short stacking energy: -63.879 Base-Backbone interact. energy: 1.626 local terms energy: -76.463474 where: bonds (distance) C4'-P energy: -14.981 bonds (distance) P-C4' energy: -16.491 flat angles C4'-P-C4' energy: -19.634 flat angles P-C4'-P energy: -11.387 tors. eta vs tors. theta energy: -13.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -205.725183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.725183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.725183 (E_RNA) where: Base-Base interactions energy: -128.996 where: short stacking energy: -74.119 Base-Backbone interact. energy: -1.147 local terms energy: -75.581685 where: bonds (distance) C4'-P energy: -16.563 bonds (distance) P-C4' energy: -9.608 flat angles C4'-P-C4' energy: -17.159 flat angles P-C4'-P energy: -12.246 tors. eta vs tors. theta energy: -20.005 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: 1 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -167.288655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.288655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.288655 (E_RNA) where: Base-Base interactions energy: -105.062 where: short stacking energy: -39.750 Base-Backbone interact. energy: -0.336 local terms energy: -61.889992 where: bonds (distance) C4'-P energy: -15.928 bonds (distance) P-C4' energy: -16.952 flat angles C4'-P-C4' energy: -10.505 flat angles P-C4'-P energy: -12.238 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: 9, replica: 5 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -149.190012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.190012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.190012 (E_RNA) where: Base-Base interactions energy: -91.940 where: short stacking energy: -53.682 Base-Backbone interact. energy: -0.089 local terms energy: -57.161452 where: bonds (distance) C4'-P energy: -15.933 bonds (distance) P-C4' energy: -10.471 flat angles C4'-P-C4' energy: -11.598 flat angles P-C4'-P energy: -9.537 tors. eta vs tors. theta energy: -9.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -165.875654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.875654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.875654 (E_RNA) where: Base-Base interactions energy: -104.523 where: short stacking energy: -56.796 Base-Backbone interact. energy: -0.062 local terms energy: -61.291336 where: bonds (distance) C4'-P energy: -10.972 bonds (distance) P-C4' energy: -19.842 flat angles C4'-P-C4' energy: -15.422 flat angles P-C4'-P energy: -10.717 tors. eta vs tors. theta energy: -4.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -295.309583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.309583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.309583 (E_RNA) where: Base-Base interactions energy: -207.723 where: short stacking energy: -90.914 Base-Backbone interact. energy: 0.076 local terms energy: -87.662637 where: bonds (distance) C4'-P energy: -13.797 bonds (distance) P-C4' energy: -19.600 flat angles C4'-P-C4' energy: -16.661 flat angles P-C4'-P energy: -13.322 tors. eta vs tors. theta energy: -24.282 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: 3 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -283.481846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.481846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.481846 (E_RNA) where: Base-Base interactions energy: -191.225 where: short stacking energy: -86.050 Base-Backbone interact. energy: -2.436 local terms energy: -89.821616 where: bonds (distance) C4'-P energy: -18.861 bonds (distance) P-C4' energy: -19.399 flat angles C4'-P-C4' energy: -18.317 flat angles P-C4'-P energy: -11.422 tors. eta vs tors. theta energy: -21.824 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: 6 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -257.607170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.607170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.607170 (E_RNA) where: Base-Base interactions energy: -180.994 where: short stacking energy: -93.665 Base-Backbone interact. energy: -0.129 local terms energy: -76.484792 where: bonds (distance) C4'-P energy: -13.974 bonds (distance) P-C4' energy: -18.305 flat angles C4'-P-C4' energy: -16.760 flat angles P-C4'-P energy: -7.820 tors. eta vs tors. theta energy: -19.626 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: -250.104247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.104247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.104247 (E_RNA) where: Base-Base interactions energy: -168.301 where: short stacking energy: -89.139 Base-Backbone interact. energy: -0.001 local terms energy: -81.802811 where: bonds (distance) C4'-P energy: -14.734 bonds (distance) P-C4' energy: -17.852 flat angles C4'-P-C4' energy: -16.717 flat angles P-C4'-P energy: -7.162 tors. eta vs tors. theta energy: -25.337 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: 2 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -227.959256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.959256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.959256 (E_RNA) where: Base-Base interactions energy: -148.692 where: short stacking energy: -66.319 Base-Backbone interact. energy: -0.268 local terms energy: -78.998434 where: bonds (distance) C4'-P energy: -14.574 bonds (distance) P-C4' energy: -17.172 flat angles C4'-P-C4' energy: -17.206 flat angles P-C4'-P energy: -10.506 tors. eta vs tors. theta energy: -19.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -232.903423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.903423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.903423 (E_RNA) where: Base-Base interactions energy: -162.819 where: short stacking energy: -64.547 Base-Backbone interact. energy: -0.389 local terms energy: -69.694586 where: bonds (distance) C4'-P energy: -9.738 bonds (distance) P-C4' energy: -19.926 flat angles C4'-P-C4' energy: -19.487 flat angles P-C4'-P energy: -10.041 tors. eta vs tors. theta energy: -10.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -193.519623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.519623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.519623 (E_RNA) where: Base-Base interactions energy: -125.843 where: short stacking energy: -68.419 Base-Backbone interact. energy: -0.060 local terms energy: -67.616968 where: bonds (distance) C4'-P energy: -13.531 bonds (distance) P-C4' energy: -19.998 flat angles C4'-P-C4' energy: -16.272 flat angles P-C4'-P energy: -7.197 tors. eta vs tors. theta energy: -10.618 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: 8, replica: 5 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -159.660538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.660538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.660538 (E_RNA) where: Base-Base interactions energy: -83.494 where: short stacking energy: -50.050 Base-Backbone interact. energy: -0.483 local terms energy: -75.683523 where: bonds (distance) C4'-P energy: -16.521 bonds (distance) P-C4' energy: -20.920 flat angles C4'-P-C4' energy: -18.776 flat angles P-C4'-P energy: -8.010 tors. eta vs tors. theta energy: -11.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -172.986144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.986144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.986144 (E_RNA) where: Base-Base interactions energy: -101.904 where: short stacking energy: -58.049 Base-Backbone interact. energy: -0.511 local terms energy: -70.570566 where: bonds (distance) C4'-P energy: -15.610 bonds (distance) P-C4' energy: -17.364 flat angles C4'-P-C4' energy: -15.817 flat angles P-C4'-P energy: -13.734 tors. eta vs tors. theta energy: -8.045 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: 10, replica: 4 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -133.866697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.866697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.866697 (E_RNA) where: Base-Base interactions energy: -71.442 where: short stacking energy: -38.761 Base-Backbone interact. energy: 0.392 local terms energy: -62.816099 where: bonds (distance) C4'-P energy: -13.751 bonds (distance) P-C4' energy: -17.287 flat angles C4'-P-C4' energy: -12.795 flat angles P-C4'-P energy: -12.651 tors. eta vs tors. theta energy: -6.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -297.188887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.188887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.188887 (E_RNA) where: Base-Base interactions energy: -208.095 where: short stacking energy: -98.392 Base-Backbone interact. energy: -0.378 local terms energy: -88.715705 where: bonds (distance) C4'-P energy: -17.027 bonds (distance) P-C4' energy: -20.659 flat angles C4'-P-C4' energy: -17.376 flat angles P-C4'-P energy: -10.314 tors. eta vs tors. theta energy: -23.340 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: 3 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -266.081778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.081778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.081778 (E_RNA) where: Base-Base interactions energy: -193.055 where: short stacking energy: -84.318 Base-Backbone interact. energy: -0.148 local terms energy: -72.878561 where: bonds (distance) C4'-P energy: -16.774 bonds (distance) P-C4' energy: -16.034 flat angles C4'-P-C4' energy: -18.152 flat angles P-C4'-P energy: -5.341 tors. eta vs tors. theta energy: -16.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -255.442611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.442611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.442611 (E_RNA) where: Base-Base interactions energy: -172.641 where: short stacking energy: -92.426 Base-Backbone interact. energy: -0.072 local terms energy: -82.729600 where: bonds (distance) C4'-P energy: -15.746 bonds (distance) P-C4' energy: -16.614 flat angles C4'-P-C4' energy: -18.473 flat angles P-C4'-P energy: -8.477 tors. eta vs tors. theta energy: -23.419 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: 6 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -249.895515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.895515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.895515 (E_RNA) where: Base-Base interactions energy: -165.900 where: short stacking energy: -82.426 Base-Backbone interact. energy: -0.256 local terms energy: -83.739949 where: bonds (distance) C4'-P energy: -13.434 bonds (distance) P-C4' energy: -20.204 flat angles C4'-P-C4' energy: -19.448 flat angles P-C4'-P energy: -10.908 tors. eta vs tors. theta energy: -19.746 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: 8 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -216.410588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.410588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.410588 (E_RNA) where: Base-Base interactions energy: -152.533 where: short stacking energy: -63.527 Base-Backbone interact. energy: -1.071 local terms energy: -62.806292 where: bonds (distance) C4'-P energy: -9.780 bonds (distance) P-C4' energy: -14.701 flat angles C4'-P-C4' energy: -14.531 flat angles P-C4'-P energy: -13.485 tors. eta vs tors. theta energy: -10.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -226.728564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.728564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.728564 (E_RNA) where: Base-Base interactions energy: -152.800 where: short stacking energy: -68.976 Base-Backbone interact. energy: -0.295 local terms energy: -73.633385 where: bonds (distance) C4'-P energy: -11.811 bonds (distance) P-C4' energy: -16.297 flat angles C4'-P-C4' energy: -21.264 flat angles P-C4'-P energy: -8.798 tors. eta vs tors. theta energy: -15.463 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: 5 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -157.489790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.489790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.489790 (E_RNA) where: Base-Base interactions energy: -89.964 where: short stacking energy: -53.762 Base-Backbone interact. energy: -0.314 local terms energy: -67.211547 where: bonds (distance) C4'-P energy: -14.797 bonds (distance) P-C4' energy: -17.502 flat angles C4'-P-C4' energy: -14.799 flat angles P-C4'-P energy: -11.571 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: 8, replica: 9 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -171.867518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.867518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.867518 (E_RNA) where: Base-Base interactions energy: -105.354 where: short stacking energy: -55.903 Base-Backbone interact. energy: -0.254 local terms energy: -66.260060 where: bonds (distance) C4'-P energy: -13.932 bonds (distance) P-C4' energy: -19.425 flat angles C4'-P-C4' energy: -12.431 flat angles P-C4'-P energy: -9.662 tors. eta vs tors. theta energy: -10.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -114.402329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.402329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.402329 (E_RNA) where: Base-Base interactions energy: -65.458 where: short stacking energy: -34.056 Base-Backbone interact. energy: -0.500 local terms energy: -48.444530 where: bonds (distance) C4'-P energy: -14.479 bonds (distance) P-C4' energy: -9.925 flat angles C4'-P-C4' energy: -13.453 flat angles P-C4'-P energy: -9.170 tors. eta vs tors. theta energy: -1.416 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: 10, replica: 1 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -153.974061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.974061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.974061 (E_RNA) where: Base-Base interactions energy: -88.044 where: short stacking energy: -47.934 Base-Backbone interact. energy: -1.292 local terms energy: -64.637346 where: bonds (distance) C4'-P energy: -10.866 bonds (distance) P-C4' energy: -17.575 flat angles C4'-P-C4' energy: -15.559 flat angles P-C4'-P energy: -13.557 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: 1, replica: 7 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -282.500168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.500168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.500168 (E_RNA) where: Base-Base interactions energy: -205.470 where: short stacking energy: -90.946 Base-Backbone interact. energy: -0.542 local terms energy: -76.488470 where: bonds (distance) C4'-P energy: -12.754 bonds (distance) P-C4' energy: -16.041 flat angles C4'-P-C4' energy: -19.622 flat angles P-C4'-P energy: -6.471 tors. eta vs tors. theta energy: -21.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -277.829497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.829497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.829497 (E_RNA) where: Base-Base interactions energy: -193.353 where: short stacking energy: -84.769 Base-Backbone interact. energy: -1.663 local terms energy: -82.814057 where: bonds (distance) C4'-P energy: -18.040 bonds (distance) P-C4' energy: -16.188 flat angles C4'-P-C4' energy: -19.948 flat angles P-C4'-P energy: -9.293 tors. eta vs tors. theta energy: -19.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -248.430874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.430874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.430874 (E_RNA) where: Base-Base interactions energy: -174.947 where: short stacking energy: -85.662 Base-Backbone interact. energy: 2.154 local terms energy: -75.638270 where: bonds (distance) C4'-P energy: -15.429 bonds (distance) P-C4' energy: -13.540 flat angles C4'-P-C4' energy: -15.377 flat angles P-C4'-P energy: -11.936 tors. eta vs tors. theta energy: -19.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -250.082948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.082948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.082948 (E_RNA) where: Base-Base interactions energy: -168.137 where: short stacking energy: -89.307 Base-Backbone interact. energy: -0.011 local terms energy: -81.934618 where: bonds (distance) C4'-P energy: -14.003 bonds (distance) P-C4' energy: -17.910 flat angles C4'-P-C4' energy: -16.221 flat angles P-C4'-P energy: -12.158 tors. eta vs tors. theta energy: -21.642 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: 8 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -221.906661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.906661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.906661 (E_RNA) where: Base-Base interactions energy: -153.903 where: short stacking energy: -63.660 Base-Backbone interact. energy: -0.744 local terms energy: -67.260546 where: bonds (distance) C4'-P energy: -16.616 bonds (distance) P-C4' energy: -17.516 flat angles C4'-P-C4' energy: -14.400 flat angles P-C4'-P energy: -9.631 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: 69 Temperature: 1.150000 Total energy: -217.424113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.424113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.424113 (E_RNA) where: Base-Base interactions energy: -152.556 where: short stacking energy: -72.564 Base-Backbone interact. energy: -0.221 local terms energy: -64.647553 where: bonds (distance) C4'-P energy: -14.169 bonds (distance) P-C4' energy: -13.696 flat angles C4'-P-C4' energy: -17.774 flat angles P-C4'-P energy: -3.144 tors. eta vs tors. theta energy: -15.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -148.571066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.571066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.571066 (E_RNA) where: Base-Base interactions energy: -93.280 where: short stacking energy: -41.104 Base-Backbone interact. energy: -0.222 local terms energy: -55.068106 where: bonds (distance) C4'-P energy: -15.762 bonds (distance) P-C4' energy: -15.571 flat angles C4'-P-C4' energy: -13.701 flat angles P-C4'-P energy: -6.997 tors. eta vs tors. theta energy: -3.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -183.152858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.152858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.152858 (E_RNA) where: Base-Base interactions energy: -119.300 where: short stacking energy: -43.683 Base-Backbone interact. energy: -1.215 local terms energy: -62.637948 where: bonds (distance) C4'-P energy: -18.500 bonds (distance) P-C4' energy: -17.109 flat angles C4'-P-C4' energy: -11.446 flat angles P-C4'-P energy: -10.648 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: 9, replica: 9 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -184.447095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.447095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.447095 (E_RNA) where: Base-Base interactions energy: -111.593 where: short stacking energy: -56.145 Base-Backbone interact. energy: 1.310 local terms energy: -74.163599 where: bonds (distance) C4'-P energy: -17.047 bonds (distance) P-C4' energy: -19.165 flat angles C4'-P-C4' energy: -17.841 flat angles P-C4'-P energy: -4.765 tors. eta vs tors. theta energy: -15.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -158.185701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.185701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.185701 (E_RNA) where: Base-Base interactions energy: -94.894 where: short stacking energy: -49.886 Base-Backbone interact. energy: 0.411 local terms energy: -63.703201 where: bonds (distance) C4'-P energy: -14.433 bonds (distance) P-C4' energy: -12.480 flat angles C4'-P-C4' energy: -18.358 flat angles P-C4'-P energy: -8.726 tors. eta vs tors. theta energy: -9.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -287.192136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.192136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.192136 (E_RNA) where: Base-Base interactions energy: -205.139 where: short stacking energy: -78.870 Base-Backbone interact. energy: -0.849 local terms energy: -81.203886 where: bonds (distance) C4'-P energy: -16.371 bonds (distance) P-C4' energy: -15.232 flat angles C4'-P-C4' energy: -17.804 flat angles P-C4'-P energy: -11.359 tors. eta vs tors. theta energy: -20.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -281.026315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.026315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.026315 (E_RNA) where: Base-Base interactions energy: -199.101 where: short stacking energy: -91.076 Base-Backbone interact. energy: -0.906 local terms energy: -81.018868 where: bonds (distance) C4'-P energy: -17.196 bonds (distance) P-C4' energy: -12.431 flat angles C4'-P-C4' energy: -18.177 flat angles P-C4'-P energy: -10.968 tors. eta vs tors. theta energy: -22.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -245.837773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.837773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.837773 (E_RNA) where: Base-Base interactions energy: -163.166 where: short stacking energy: -87.040 Base-Backbone interact. energy: -0.022 local terms energy: -82.649455 where: bonds (distance) C4'-P energy: -14.149 bonds (distance) P-C4' energy: -17.236 flat angles C4'-P-C4' energy: -17.582 flat angles P-C4'-P energy: -14.423 tors. eta vs tors. theta energy: -19.260 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: 4, replica: 10 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -241.179649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.179649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.179649 (E_RNA) where: Base-Base interactions energy: -160.827 where: short stacking energy: -82.757 Base-Backbone interact. energy: -0.687 local terms energy: -79.665356 where: bonds (distance) C4'-P energy: -16.480 bonds (distance) P-C4' energy: -16.428 flat angles C4'-P-C4' energy: -16.597 flat angles P-C4'-P energy: -8.774 tors. eta vs tors. theta energy: -21.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -226.676630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.676630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.676630 (E_RNA) where: Base-Base interactions energy: -142.375 where: short stacking energy: -67.561 Base-Backbone interact. energy: -0.177 local terms energy: -84.124932 where: bonds (distance) C4'-P energy: -18.533 bonds (distance) P-C4' energy: -20.473 flat angles C4'-P-C4' energy: -15.431 flat angles P-C4'-P energy: -14.156 tors. eta vs tors. theta energy: -15.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -220.488556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.488556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.488556 (E_RNA) where: Base-Base interactions energy: -151.900 where: short stacking energy: -58.012 Base-Backbone interact. energy: -0.865 local terms energy: -67.723921 where: bonds (distance) C4'-P energy: -16.580 bonds (distance) P-C4' energy: -18.837 flat angles C4'-P-C4' energy: -13.760 flat angles P-C4'-P energy: -9.926 tors. eta vs tors. theta energy: -8.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -214.107582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.107582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.107582 (E_RNA) where: Base-Base interactions energy: -146.493 where: short stacking energy: -67.175 Base-Backbone interact. energy: 0.044 local terms energy: -67.658277 where: bonds (distance) C4'-P energy: -10.778 bonds (distance) P-C4' energy: -17.411 flat angles C4'-P-C4' energy: -13.048 flat angles P-C4'-P energy: -9.444 tors. eta vs tors. theta energy: -16.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -154.615567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.615567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.615567 (E_RNA) where: Base-Base interactions energy: -89.369 where: short stacking energy: -55.293 Base-Backbone interact. energy: 0.330 local terms energy: -65.576802 where: bonds (distance) C4'-P energy: -15.986 bonds (distance) P-C4' energy: -17.668 flat angles C4'-P-C4' energy: -13.284 flat angles P-C4'-P energy: -9.694 tors. eta vs tors. theta energy: -8.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -181.282975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.282975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.282975 (E_RNA) where: Base-Base interactions energy: -116.138 where: short stacking energy: -55.992 Base-Backbone interact. energy: -0.065 local terms energy: -65.079483 where: bonds (distance) C4'-P energy: -14.852 bonds (distance) P-C4' energy: -16.758 flat angles C4'-P-C4' energy: -13.244 flat angles P-C4'-P energy: -9.241 tors. eta vs tors. theta energy: -10.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -163.695600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.695600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.695600 (E_RNA) where: Base-Base interactions energy: -104.508 where: short stacking energy: -48.649 Base-Backbone interact. energy: -0.105 local terms energy: -59.082221 where: bonds (distance) C4'-P energy: -11.657 bonds (distance) P-C4' energy: -15.135 flat angles C4'-P-C4' energy: -13.394 flat angles P-C4'-P energy: -10.768 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: 1, replica: 7 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -295.112896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.112896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.112896 (E_RNA) where: Base-Base interactions energy: -213.574 where: short stacking energy: -86.885 Base-Backbone interact. energy: -0.447 local terms energy: -81.091862 where: bonds (distance) C4'-P energy: -18.603 bonds (distance) P-C4' energy: -16.653 flat angles C4'-P-C4' energy: -16.058 flat angles P-C4'-P energy: -9.192 tors. eta vs tors. theta energy: -20.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -240.820135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.820135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.820135 (E_RNA) where: Base-Base interactions energy: -162.661 where: short stacking energy: -82.866 Base-Backbone interact. energy: -1.069 local terms energy: -77.090115 where: bonds (distance) C4'-P energy: -15.818 bonds (distance) P-C4' energy: -17.330 flat angles C4'-P-C4' energy: -17.389 flat angles P-C4'-P energy: -12.927 tors. eta vs tors. theta energy: -13.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -275.345449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.345449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.345449 (E_RNA) where: Base-Base interactions energy: -197.309 where: short stacking energy: -79.295 Base-Backbone interact. energy: -0.581 local terms energy: -77.455275 where: bonds (distance) C4'-P energy: -14.529 bonds (distance) P-C4' energy: -15.361 flat angles C4'-P-C4' energy: -18.338 flat angles P-C4'-P energy: -11.324 tors. eta vs tors. theta energy: -17.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -237.109236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.109236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.109236 (E_RNA) where: Base-Base interactions energy: -163.123 where: short stacking energy: -81.332 Base-Backbone interact. energy: -0.816 local terms energy: -73.169668 where: bonds (distance) C4'-P energy: -15.753 bonds (distance) P-C4' energy: -7.004 flat angles C4'-P-C4' energy: -19.157 flat angles P-C4'-P energy: -11.105 tors. eta vs tors. theta energy: -20.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -235.316946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.316946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.316946 (E_RNA) where: Base-Base interactions energy: -159.832 where: short stacking energy: -77.046 Base-Backbone interact. energy: 0.054 local terms energy: -75.539055 where: bonds (distance) C4'-P energy: -17.169 bonds (distance) P-C4' energy: -14.841 flat angles C4'-P-C4' energy: -15.742 flat angles P-C4'-P energy: -11.804 tors. eta vs tors. theta energy: -15.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -236.748408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.748408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.748408 (E_RNA) where: Base-Base interactions energy: -152.280 where: short stacking energy: -74.277 Base-Backbone interact. energy: -0.309 local terms energy: -84.159283 where: bonds (distance) C4'-P energy: -16.474 bonds (distance) P-C4' energy: -16.312 flat angles C4'-P-C4' energy: -18.462 flat angles P-C4'-P energy: -10.496 tors. eta vs tors. theta energy: -22.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -215.663441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.663441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.663441 (E_RNA) where: Base-Base interactions energy: -153.275 where: short stacking energy: -66.438 Base-Backbone interact. energy: -1.509 local terms energy: -60.880009 where: bonds (distance) C4'-P energy: -14.601 bonds (distance) P-C4' energy: -13.073 flat angles C4'-P-C4' energy: -13.505 flat angles P-C4'-P energy: -8.864 tors. eta vs tors. theta energy: -10.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -155.698352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.698352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.698352 (E_RNA) where: Base-Base interactions energy: -100.779 where: short stacking energy: -56.285 Base-Backbone interact. energy: -0.201 local terms energy: -54.718027 where: bonds (distance) C4'-P energy: -11.062 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -18.097 flat angles P-C4'-P energy: -4.950 tors. eta vs tors. theta energy: -12.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -176.694767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.694767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.694767 (E_RNA) where: Base-Base interactions energy: -112.749 where: short stacking energy: -65.104 Base-Backbone interact. energy: -0.039 local terms energy: -63.907023 where: bonds (distance) C4'-P energy: -13.414 bonds (distance) P-C4' energy: -17.270 flat angles C4'-P-C4' energy: -13.924 flat angles P-C4'-P energy: -7.106 tors. eta vs tors. theta energy: -12.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -151.875276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.875276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.875276 (E_RNA) where: Base-Base interactions energy: -95.254 where: short stacking energy: -54.394 Base-Backbone interact. energy: -0.027 local terms energy: -56.594482 where: bonds (distance) C4'-P energy: -12.524 bonds (distance) P-C4' energy: -17.682 flat angles C4'-P-C4' energy: -11.050 flat angles P-C4'-P energy: -12.271 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: 6 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -260.929295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.929295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.929295 (E_RNA) where: Base-Base interactions energy: -172.001 where: short stacking energy: -89.222 Base-Backbone interact. energy: -0.003 local terms energy: -88.924964 where: bonds (distance) C4'-P energy: -16.253 bonds (distance) P-C4' energy: -17.363 flat angles C4'-P-C4' energy: -17.641 flat angles P-C4'-P energy: -14.464 tors. eta vs tors. theta energy: -23.205 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: 2, replica: 7 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -282.931571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.931571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.931571 (E_RNA) where: Base-Base interactions energy: -201.187 where: short stacking energy: -87.664 Base-Backbone interact. energy: 0.118 local terms energy: -81.862570 where: bonds (distance) C4'-P energy: -18.136 bonds (distance) P-C4' energy: -11.279 flat angles C4'-P-C4' energy: -20.077 flat angles P-C4'-P energy: -13.504 tors. eta vs tors. theta energy: -18.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -256.885200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.885200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.885200 (E_RNA) where: Base-Base interactions energy: -170.603 where: short stacking energy: -89.524 Base-Backbone interact. energy: -0.617 local terms energy: -85.664999 where: bonds (distance) C4'-P energy: -13.192 bonds (distance) P-C4' energy: -19.371 flat angles C4'-P-C4' energy: -17.739 flat angles P-C4'-P energy: -10.440 tors. eta vs tors. theta energy: -24.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -262.789300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.789300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.789300 (E_RNA) where: Base-Base interactions energy: -184.790 where: short stacking energy: -80.427 Base-Backbone interact. energy: -0.409 local terms energy: -77.590691 where: bonds (distance) C4'-P energy: -19.506 bonds (distance) P-C4' energy: -11.406 flat angles C4'-P-C4' energy: -16.644 flat angles P-C4'-P energy: -9.189 tors. eta vs tors. theta energy: -20.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -231.853787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.853787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.853787 (E_RNA) where: Base-Base interactions energy: -151.976 where: short stacking energy: -76.295 Base-Backbone interact. energy: -0.010 local terms energy: -79.867865 where: bonds (distance) C4'-P energy: -18.509 bonds (distance) P-C4' energy: -15.972 flat angles C4'-P-C4' energy: -16.665 flat angles P-C4'-P energy: -9.235 tors. eta vs tors. theta energy: -19.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -227.534500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.534500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.534500 (E_RNA) where: Base-Base interactions energy: -155.586 where: short stacking energy: -76.277 Base-Backbone interact. energy: -0.015 local terms energy: -71.933705 where: bonds (distance) C4'-P energy: -15.089 bonds (distance) P-C4' energy: -15.131 flat angles C4'-P-C4' energy: -16.979 flat angles P-C4'-P energy: -7.233 tors. eta vs tors. theta energy: -17.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -230.029287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.029287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.029287 (E_RNA) where: Base-Base interactions energy: -162.431 where: short stacking energy: -77.294 Base-Backbone interact. energy: -0.148 local terms energy: -67.451025 where: bonds (distance) C4'-P energy: -17.337 bonds (distance) P-C4' energy: -15.013 flat angles C4'-P-C4' energy: -13.960 flat angles P-C4'-P energy: -10.446 tors. eta vs tors. theta energy: -10.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -149.209529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.209529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.209529 (E_RNA) where: Base-Base interactions energy: -80.426 where: short stacking energy: -55.997 Base-Backbone interact. energy: -0.203 local terms energy: -68.581159 where: bonds (distance) C4'-P energy: -15.084 bonds (distance) P-C4' energy: -18.537 flat angles C4'-P-C4' energy: -16.365 flat angles P-C4'-P energy: -10.587 tors. eta vs tors. theta energy: -8.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -173.899831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.899831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.899831 (E_RNA) where: Base-Base interactions energy: -112.866 where: short stacking energy: -57.246 Base-Backbone interact. energy: -0.106 local terms energy: -60.927185 where: bonds (distance) C4'-P energy: -13.409 bonds (distance) P-C4' energy: -16.491 flat angles C4'-P-C4' energy: -12.339 flat angles P-C4'-P energy: -5.160 tors. eta vs tors. theta energy: -13.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -152.475561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.475561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.475561 (E_RNA) where: Base-Base interactions energy: -99.301 where: short stacking energy: -49.648 Base-Backbone interact. energy: -0.721 local terms energy: -52.453634 where: bonds (distance) C4'-P energy: -14.769 bonds (distance) P-C4' energy: -12.214 flat angles C4'-P-C4' energy: -7.694 flat angles P-C4'-P energy: -8.648 tors. eta vs tors. theta energy: -9.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -264.045159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.045159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.045159 (E_RNA) where: Base-Base interactions energy: -175.222 where: short stacking energy: -93.699 Base-Backbone interact. energy: -0.008 local terms energy: -88.815378 where: bonds (distance) C4'-P energy: -17.419 bonds (distance) P-C4' energy: -17.133 flat angles C4'-P-C4' energy: -19.626 flat angles P-C4'-P energy: -10.550 tors. eta vs tors. theta energy: -24.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -293.511417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.511417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.511417 (E_RNA) where: Base-Base interactions energy: -207.473 where: short stacking energy: -82.061 Base-Backbone interact. energy: -0.812 local terms energy: -85.226411 where: bonds (distance) C4'-P energy: -13.839 bonds (distance) P-C4' energy: -19.507 flat angles C4'-P-C4' energy: -19.751 flat angles P-C4'-P energy: -13.676 tors. eta vs tors. theta energy: -18.453 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: 2 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -251.803347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.803347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.803347 (E_RNA) where: Base-Base interactions energy: -165.842 where: short stacking energy: -85.001 Base-Backbone interact. energy: -0.494 local terms energy: -85.467963 where: bonds (distance) C4'-P energy: -16.228 bonds (distance) P-C4' energy: -17.360 flat angles C4'-P-C4' energy: -18.580 flat angles P-C4'-P energy: -11.745 tors. eta vs tors. theta energy: -21.556 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: 3 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -261.777159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.777159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.777159 (E_RNA) where: Base-Base interactions energy: -187.179 where: short stacking energy: -82.690 Base-Backbone interact. energy: 0.376 local terms energy: -74.973477 where: bonds (distance) C4'-P energy: -11.988 bonds (distance) P-C4' energy: -13.985 flat angles C4'-P-C4' energy: -15.980 flat angles P-C4'-P energy: -13.173 tors. eta vs tors. theta energy: -19.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -238.683424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.683424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.683424 (E_RNA) where: Base-Base interactions energy: -159.946 where: short stacking energy: -74.111 Base-Backbone interact. energy: -1.273 local terms energy: -77.464875 where: bonds (distance) C4'-P energy: -18.333 bonds (distance) P-C4' energy: -14.276 flat angles C4'-P-C4' energy: -17.873 flat angles P-C4'-P energy: -9.780 tors. eta vs tors. theta energy: -17.204 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: 8 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -225.802887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.802887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.802887 (E_RNA) where: Base-Base interactions energy: -161.566 where: short stacking energy: -67.229 Base-Backbone interact. energy: -0.429 local terms energy: -63.807516 where: bonds (distance) C4'-P energy: -15.565 bonds (distance) P-C4' energy: -16.153 flat angles C4'-P-C4' energy: -11.395 flat angles P-C4'-P energy: -9.499 tors. eta vs tors. theta energy: -11.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -214.391673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.391673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.391673 (E_RNA) where: Base-Base interactions energy: -141.059 where: short stacking energy: -70.659 Base-Backbone interact. energy: -0.236 local terms energy: -73.096511 where: bonds (distance) C4'-P energy: -14.042 bonds (distance) P-C4' energy: -14.356 flat angles C4'-P-C4' energy: -15.935 flat angles P-C4'-P energy: -13.071 tors. eta vs tors. theta energy: -15.692 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: 8, replica: 9 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -169.277346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.277346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.277346 (E_RNA) where: Base-Base interactions energy: -108.976 where: short stacking energy: -55.624 Base-Backbone interact. energy: -0.087 local terms energy: -60.213776 where: bonds (distance) C4'-P energy: -13.681 bonds (distance) P-C4' energy: -18.096 flat angles C4'-P-C4' energy: -12.816 flat angles P-C4'-P energy: -7.135 tors. eta vs tors. theta energy: -8.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -152.279823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.279823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.279823 (E_RNA) where: Base-Base interactions energy: -99.130 where: short stacking energy: -45.587 Base-Backbone interact. energy: 0.354 local terms energy: -53.503582 where: bonds (distance) C4'-P energy: -7.306 bonds (distance) P-C4' energy: -14.906 flat angles C4'-P-C4' energy: -12.274 flat angles P-C4'-P energy: -10.527 tors. eta vs tors. theta energy: -8.490 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: 1 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -154.383890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.383890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.383890 (E_RNA) where: Base-Base interactions energy: -91.272 where: short stacking energy: -48.635 Base-Backbone interact. energy: -1.095 local terms energy: -62.016766 where: bonds (distance) C4'-P energy: -18.007 bonds (distance) P-C4' energy: -18.365 flat angles C4'-P-C4' energy: -10.340 flat angles P-C4'-P energy: -9.726 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: 1, replica: 7 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -299.232247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.232247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.232247 (E_RNA) where: Base-Base interactions energy: -211.165 where: short stacking energy: -86.089 Base-Backbone interact. energy: -1.082 local terms energy: -86.985187 where: bonds (distance) C4'-P energy: -19.850 bonds (distance) P-C4' energy: -15.960 flat angles C4'-P-C4' energy: -19.970 flat angles P-C4'-P energy: -11.712 tors. eta vs tors. theta energy: -19.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -256.811724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.811724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.811724 (E_RNA) where: Base-Base interactions energy: -165.381 where: short stacking energy: -86.262 Base-Backbone interact. energy: -0.026 local terms energy: -91.404374 where: bonds (distance) C4'-P energy: -13.652 bonds (distance) P-C4' energy: -18.412 flat angles C4'-P-C4' energy: -20.215 flat angles P-C4'-P energy: -15.571 tors. eta vs tors. theta energy: -23.555 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: 3 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -264.041232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.041232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.041232 (E_RNA) where: Base-Base interactions energy: -183.262 where: short stacking energy: -81.429 Base-Backbone interact. energy: -1.529 local terms energy: -79.249941 where: bonds (distance) C4'-P energy: -14.977 bonds (distance) P-C4' energy: -15.075 flat angles C4'-P-C4' energy: -19.751 flat angles P-C4'-P energy: -10.325 tors. eta vs tors. theta energy: -19.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -250.592291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.592291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.592291 (E_RNA) where: Base-Base interactions energy: -166.512 where: short stacking energy: -86.075 Base-Backbone interact. energy: -0.719 local terms energy: -83.361459 where: bonds (distance) C4'-P energy: -16.317 bonds (distance) P-C4' energy: -17.373 flat angles C4'-P-C4' energy: -16.967 flat angles P-C4'-P energy: -11.162 tors. eta vs tors. theta energy: -21.543 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: 10 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -230.595585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.595585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.595585 (E_RNA) where: Base-Base interactions energy: -151.565 where: short stacking energy: -73.549 Base-Backbone interact. energy: -0.006 local terms energy: -79.024543 where: bonds (distance) C4'-P energy: -16.025 bonds (distance) P-C4' energy: -18.058 flat angles C4'-P-C4' energy: -17.808 flat angles P-C4'-P energy: -10.115 tors. eta vs tors. theta energy: -17.018 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: 8 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -219.188470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.188470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.188470 (E_RNA) where: Base-Base interactions energy: -150.754 where: short stacking energy: -59.368 Base-Backbone interact. energy: -0.942 local terms energy: -67.493119 where: bonds (distance) C4'-P energy: -16.765 bonds (distance) P-C4' energy: -12.567 flat angles C4'-P-C4' energy: -15.689 flat angles P-C4'-P energy: -11.533 tors. eta vs tors. theta energy: -10.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -185.969935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.969935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.969935 (E_RNA) where: Base-Base interactions energy: -118.775 where: short stacking energy: -61.563 Base-Backbone interact. energy: -0.199 local terms energy: -66.995686 where: bonds (distance) C4'-P energy: -14.463 bonds (distance) P-C4' energy: -16.786 flat angles C4'-P-C4' energy: -13.407 flat angles P-C4'-P energy: -9.028 tors. eta vs tors. theta energy: -13.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -190.462971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.462971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.462971 (E_RNA) where: Base-Base interactions energy: -114.714 where: short stacking energy: -56.965 Base-Backbone interact. energy: -0.490 local terms energy: -75.258452 where: bonds (distance) C4'-P energy: -14.112 bonds (distance) P-C4' energy: -20.370 flat angles C4'-P-C4' energy: -16.673 flat angles P-C4'-P energy: -11.475 tors. eta vs tors. theta energy: -12.629 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: 1 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -184.190085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.190085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.190085 (E_RNA) where: Base-Base interactions energy: -119.551 where: short stacking energy: -61.187 Base-Backbone interact. energy: -0.305 local terms energy: -64.333944 where: bonds (distance) C4'-P energy: -16.062 bonds (distance) P-C4' energy: -16.886 flat angles C4'-P-C4' energy: -9.993 flat angles P-C4'-P energy: -10.235 tors. eta vs tors. theta energy: -11.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -107.397112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.397112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.397112 (E_RNA) where: Base-Base interactions energy: -48.715 where: short stacking energy: -46.423 Base-Backbone interact. energy: -0.253 local terms energy: -58.429806 where: bonds (distance) C4'-P energy: -16.822 bonds (distance) P-C4' energy: -13.465 flat angles C4'-P-C4' energy: -16.148 flat angles P-C4'-P energy: -4.567 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: 1, replica: 7 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -296.531617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.531617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.531617 (E_RNA) where: Base-Base interactions energy: -215.193 where: short stacking energy: -84.483 Base-Backbone interact. energy: -0.080 local terms energy: -81.258884 where: bonds (distance) C4'-P energy: -11.564 bonds (distance) P-C4' energy: -19.172 flat angles C4'-P-C4' energy: -17.944 flat angles P-C4'-P energy: -10.284 tors. eta vs tors. theta energy: -22.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -272.450531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.450531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.450531 (E_RNA) where: Base-Base interactions energy: -189.742 where: short stacking energy: -81.452 Base-Backbone interact. energy: -0.072 local terms energy: -82.636810 where: bonds (distance) C4'-P energy: -18.706 bonds (distance) P-C4' energy: -15.029 flat angles C4'-P-C4' energy: -16.343 flat angles P-C4'-P energy: -10.799 tors. eta vs tors. theta energy: -21.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -248.872447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.872447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.872447 (E_RNA) where: Base-Base interactions energy: -173.537 where: short stacking energy: -92.030 Base-Backbone interact. energy: -0.126 local terms energy: -75.210364 where: bonds (distance) C4'-P energy: -17.146 bonds (distance) P-C4' energy: -15.484 flat angles C4'-P-C4' energy: -14.058 flat angles P-C4'-P energy: -9.581 tors. eta vs tors. theta energy: -18.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -233.885065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.885065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.885065 (E_RNA) where: Base-Base interactions energy: -163.882 where: short stacking energy: -79.551 Base-Backbone interact. energy: -0.044 local terms energy: -69.958620 where: bonds (distance) C4'-P energy: -15.118 bonds (distance) P-C4' energy: -17.406 flat angles C4'-P-C4' energy: -8.682 flat angles P-C4'-P energy: -9.091 tors. eta vs tors. theta energy: -19.662 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: 2 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -239.069272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.069272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.069272 (E_RNA) where: Base-Base interactions energy: -158.407 where: short stacking energy: -83.420 Base-Backbone interact. energy: -0.002 local terms energy: -80.660516 where: bonds (distance) C4'-P energy: -18.139 bonds (distance) P-C4' energy: -16.809 flat angles C4'-P-C4' energy: -14.124 flat angles P-C4'-P energy: -9.224 tors. eta vs tors. theta energy: -22.363 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: 6, replica: 9 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -203.958722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.958722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.958722 (E_RNA) where: Base-Base interactions energy: -132.386 where: short stacking energy: -64.142 Base-Backbone interact. energy: -0.107 local terms energy: -71.465638 where: bonds (distance) C4'-P energy: -14.650 bonds (distance) P-C4' energy: -18.469 flat angles C4'-P-C4' energy: -14.664 flat angles P-C4'-P energy: -9.318 tors. eta vs tors. theta energy: -14.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -212.753345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.753345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.753345 (E_RNA) where: Base-Base interactions energy: -142.624 where: short stacking energy: -64.410 Base-Backbone interact. energy: -0.262 local terms energy: -69.866848 where: bonds (distance) C4'-P energy: -12.850 bonds (distance) P-C4' energy: -14.600 flat angles C4'-P-C4' energy: -16.938 flat angles P-C4'-P energy: -11.065 tors. eta vs tors. theta energy: -14.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -177.536981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.536981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.536981 (E_RNA) where: Base-Base interactions energy: -111.657 where: short stacking energy: -57.119 Base-Backbone interact. energy: -0.179 local terms energy: -65.700965 where: bonds (distance) C4'-P energy: -15.652 bonds (distance) P-C4' energy: -18.566 flat angles C4'-P-C4' energy: -10.976 flat angles P-C4'-P energy: -8.953 tors. eta vs tors. theta energy: -11.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -184.372392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.372392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.372392 (E_RNA) where: Base-Base interactions energy: -129.502 where: short stacking energy: -55.354 Base-Backbone interact. energy: -1.898 local terms energy: -52.972439 where: bonds (distance) C4'-P energy: -13.022 bonds (distance) P-C4' energy: -11.854 flat angles C4'-P-C4' energy: -13.659 flat angles P-C4'-P energy: -13.105 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: 10, replica: 5 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -104.410748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.410748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.410748 (E_RNA) where: Base-Base interactions energy: -53.528 where: short stacking energy: -39.463 Base-Backbone interact. energy: -0.293 local terms energy: -50.589260 where: bonds (distance) C4'-P energy: -11.748 bonds (distance) P-C4' energy: -12.215 flat angles C4'-P-C4' energy: -13.504 flat angles P-C4'-P energy: -9.072 tors. eta vs tors. theta energy: -4.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -289.591433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.591433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.591433 (E_RNA) where: Base-Base interactions energy: -205.994 where: short stacking energy: -96.198 Base-Backbone interact. energy: 1.256 local terms energy: -84.852644 where: bonds (distance) C4'-P energy: -18.023 bonds (distance) P-C4' energy: -13.137 flat angles C4'-P-C4' energy: -20.446 flat angles P-C4'-P energy: -12.846 tors. eta vs tors. theta energy: -20.400 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: 7 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -290.223691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.223691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.223691 (E_RNA) where: Base-Base interactions energy: -211.707 where: short stacking energy: -92.937 Base-Backbone interact. energy: -1.094 local terms energy: -77.421973 where: bonds (distance) C4'-P energy: -12.006 bonds (distance) P-C4' energy: -17.226 flat angles C4'-P-C4' energy: -17.377 flat angles P-C4'-P energy: -9.280 tors. eta vs tors. theta energy: -21.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -251.676129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.676129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.676129 (E_RNA) where: Base-Base interactions energy: -164.941 where: short stacking energy: -87.848 Base-Backbone interact. energy: -0.269 local terms energy: -86.465728 where: bonds (distance) C4'-P energy: -15.996 bonds (distance) P-C4' energy: -19.601 flat angles C4'-P-C4' energy: -16.592 flat angles P-C4'-P energy: -12.356 tors. eta vs tors. theta energy: -21.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -255.851398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.851398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.851398 (E_RNA) where: Base-Base interactions energy: -175.635 where: short stacking energy: -92.085 Base-Backbone interact. energy: -0.550 local terms energy: -79.667208 where: bonds (distance) C4'-P energy: -15.767 bonds (distance) P-C4' energy: -15.187 flat angles C4'-P-C4' energy: -19.749 flat angles P-C4'-P energy: -6.764 tors. eta vs tors. theta energy: -22.200 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: 5, replica: 2 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -240.658281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.658281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.658281 (E_RNA) where: Base-Base interactions energy: -164.467 where: short stacking energy: -82.674 Base-Backbone interact. energy: -0.019 local terms energy: -76.172375 where: bonds (distance) C4'-P energy: -11.469 bonds (distance) P-C4' energy: -18.541 flat angles C4'-P-C4' energy: -18.926 flat angles P-C4'-P energy: -8.983 tors. eta vs tors. theta energy: -18.253 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: 6, replica: 9 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -184.188574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.188574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.188574 (E_RNA) where: Base-Base interactions energy: -115.003 where: short stacking energy: -54.367 Base-Backbone interact. energy: -0.614 local terms energy: -68.571752 where: bonds (distance) C4'-P energy: -15.249 bonds (distance) P-C4' energy: -15.835 flat angles C4'-P-C4' energy: -18.827 flat angles P-C4'-P energy: -8.698 tors. eta vs tors. theta energy: -9.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -216.172033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.172033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.172033 (E_RNA) where: Base-Base interactions energy: -141.805 where: short stacking energy: -61.295 Base-Backbone interact. energy: -0.308 local terms energy: -74.058678 where: bonds (distance) C4'-P energy: -14.804 bonds (distance) P-C4' energy: -15.009 flat angles C4'-P-C4' energy: -19.708 flat angles P-C4'-P energy: -10.396 tors. eta vs tors. theta energy: -14.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -187.804999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.804999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.804999 (E_RNA) where: Base-Base interactions energy: -120.166 where: short stacking energy: -61.022 Base-Backbone interact. energy: -0.206 local terms energy: -67.432785 where: bonds (distance) C4'-P energy: -15.710 bonds (distance) P-C4' energy: -16.739 flat angles C4'-P-C4' energy: -12.319 flat angles P-C4'-P energy: -9.314 tors. eta vs tors. theta energy: -13.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -210.712323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.712323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.712323 (E_RNA) where: Base-Base interactions energy: -144.749 where: short stacking energy: -62.386 Base-Backbone interact. energy: -0.284 local terms energy: -65.678753 where: bonds (distance) C4'-P energy: -18.221 bonds (distance) P-C4' energy: -14.400 flat angles C4'-P-C4' energy: -15.089 flat angles P-C4'-P energy: -5.314 tors. eta vs tors. theta energy: -12.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -104.113366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.113366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.113366 (E_RNA) where: Base-Base interactions energy: -47.787 where: short stacking energy: -41.786 Base-Backbone interact. energy: -0.010 local terms energy: -56.316355 where: bonds (distance) C4'-P energy: -14.795 bonds (distance) P-C4' energy: -16.580 flat angles C4'-P-C4' energy: -10.469 flat angles P-C4'-P energy: -10.983 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: 1, replica: 3 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -284.884324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.884324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.884324 (E_RNA) where: Base-Base interactions energy: -200.184 where: short stacking energy: -89.690 Base-Backbone interact. energy: -0.365 local terms energy: -84.335382 where: bonds (distance) C4'-P energy: -17.991 bonds (distance) P-C4' energy: -17.657 flat angles C4'-P-C4' energy: -16.830 flat angles P-C4'-P energy: -10.616 tors. eta vs tors. theta energy: -21.241 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: 7 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -278.544533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.544533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.544533 (E_RNA) where: Base-Base interactions energy: -196.509 where: short stacking energy: -79.445 Base-Backbone interact. energy: -1.584 local terms energy: -80.452013 where: bonds (distance) C4'-P energy: -15.737 bonds (distance) P-C4' energy: -17.382 flat angles C4'-P-C4' energy: -16.445 flat angles P-C4'-P energy: -11.081 tors. eta vs tors. theta energy: -19.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -239.727564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.727564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.727564 (E_RNA) where: Base-Base interactions energy: -157.721 where: short stacking energy: -83.343 Base-Backbone interact. energy: -0.026 local terms energy: -81.980837 where: bonds (distance) C4'-P energy: -18.330 bonds (distance) P-C4' energy: -14.137 flat angles C4'-P-C4' energy: -18.300 flat angles P-C4'-P energy: -10.595 tors. eta vs tors. theta energy: -20.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -240.878546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.878546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.878546 (E_RNA) where: Base-Base interactions energy: -160.502 where: short stacking energy: -74.320 Base-Backbone interact. energy: -0.548 local terms energy: -79.829110 where: bonds (distance) C4'-P energy: -17.034 bonds (distance) P-C4' energy: -17.286 flat angles C4'-P-C4' energy: -20.588 flat angles P-C4'-P energy: -8.651 tors. eta vs tors. theta energy: -16.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -244.580294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.580294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.580294 (E_RNA) where: Base-Base interactions energy: -168.636 where: short stacking energy: -91.430 Base-Backbone interact. energy: -0.005 local terms energy: -75.938959 where: bonds (distance) C4'-P energy: -12.564 bonds (distance) P-C4' energy: -20.398 flat angles C4'-P-C4' energy: -16.818 flat angles P-C4'-P energy: -4.477 tors. eta vs tors. theta energy: -21.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -218.303886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.303886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.303886 (E_RNA) where: Base-Base interactions energy: -147.951 where: short stacking energy: -67.446 Base-Backbone interact. energy: -0.045 local terms energy: -70.307651 where: bonds (distance) C4'-P energy: -9.200 bonds (distance) P-C4' energy: -15.489 flat angles C4'-P-C4' energy: -18.347 flat angles P-C4'-P energy: -11.332 tors. eta vs tors. theta energy: -15.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -182.956797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.956797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.956797 (E_RNA) where: Base-Base interactions energy: -121.668 where: short stacking energy: -63.695 Base-Backbone interact. energy: -0.067 local terms energy: -61.221150 where: bonds (distance) C4'-P energy: -11.139 bonds (distance) P-C4' energy: -14.690 flat angles C4'-P-C4' energy: -13.407 flat angles P-C4'-P energy: -9.755 tors. eta vs tors. theta energy: -12.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -207.293340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.293340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.293340 (E_RNA) where: Base-Base interactions energy: -144.213 where: short stacking energy: -64.021 Base-Backbone interact. energy: -0.050 local terms energy: -63.030162 where: bonds (distance) C4'-P energy: -16.351 bonds (distance) P-C4' energy: -11.257 flat angles C4'-P-C4' energy: -10.172 flat angles P-C4'-P energy: -11.329 tors. eta vs tors. theta energy: -13.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -173.891735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.891735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.891735 (E_RNA) where: Base-Base interactions energy: -106.991 where: short stacking energy: -58.404 Base-Backbone interact. energy: -0.134 local terms energy: -66.767096 where: bonds (distance) C4'-P energy: -14.480 bonds (distance) P-C4' energy: -14.609 flat angles C4'-P-C4' energy: -18.794 flat angles P-C4'-P energy: -9.947 tors. eta vs tors. theta energy: -8.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -94.802914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.802914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.802914 (E_RNA) where: Base-Base interactions energy: -49.875 where: short stacking energy: -32.008 Base-Backbone interact. energy: -0.218 local terms energy: -44.709431 where: bonds (distance) C4'-P energy: -14.253 bonds (distance) P-C4' energy: -10.372 flat angles C4'-P-C4' energy: -14.918 flat angles P-C4'-P energy: -4.587 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: 1, replica: 3 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -291.224408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.224408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.224408 (E_RNA) where: Base-Base interactions energy: -207.998 where: short stacking energy: -86.479 Base-Backbone interact. energy: -0.227 local terms energy: -82.999950 where: bonds (distance) C4'-P energy: -12.811 bonds (distance) P-C4' energy: -21.579 flat angles C4'-P-C4' energy: -18.843 flat angles P-C4'-P energy: -9.490 tors. eta vs tors. theta energy: -20.278 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: 7 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -287.944028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.944028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.944028 (E_RNA) where: Base-Base interactions energy: -201.275 where: short stacking energy: -85.581 Base-Backbone interact. energy: 1.126 local terms energy: -87.795505 where: bonds (distance) C4'-P energy: -18.757 bonds (distance) P-C4' energy: -18.343 flat angles C4'-P-C4' energy: -18.765 flat angles P-C4'-P energy: -10.406 tors. eta vs tors. theta energy: -21.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -249.593454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.593454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.593454 (E_RNA) where: Base-Base interactions energy: -169.137 where: short stacking energy: -78.019 Base-Backbone interact. energy: -0.211 local terms energy: -80.245370 where: bonds (distance) C4'-P energy: -16.603 bonds (distance) P-C4' energy: -17.434 flat angles C4'-P-C4' energy: -17.595 flat angles P-C4'-P energy: -10.453 tors. eta vs tors. theta energy: -18.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -241.752158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.752158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.752158 (E_RNA) where: Base-Base interactions energy: -155.962 where: short stacking energy: -80.038 Base-Backbone interact. energy: 1.405 local terms energy: -87.194536 where: bonds (distance) C4'-P energy: -13.021 bonds (distance) P-C4' energy: -20.852 flat angles C4'-P-C4' energy: -19.932 flat angles P-C4'-P energy: -12.668 tors. eta vs tors. theta energy: -20.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -237.069927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.069927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.069927 (E_RNA) where: Base-Base interactions energy: -163.894 where: short stacking energy: -84.888 Base-Backbone interact. energy: 0.935 local terms energy: -74.111316 where: bonds (distance) C4'-P energy: -16.739 bonds (distance) P-C4' energy: -14.521 flat angles C4'-P-C4' energy: -15.302 flat angles P-C4'-P energy: -6.524 tors. eta vs tors. theta energy: -21.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -225.969402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.969402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.969402 (E_RNA) where: Base-Base interactions energy: -157.172 where: short stacking energy: -70.675 Base-Backbone interact. energy: -0.369 local terms energy: -68.427804 where: bonds (distance) C4'-P energy: -12.533 bonds (distance) P-C4' energy: -18.634 flat angles C4'-P-C4' energy: -16.478 flat angles P-C4'-P energy: -8.056 tors. eta vs tors. theta energy: -12.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -201.209968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.209968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.209968 (E_RNA) where: Base-Base interactions energy: -126.331 where: short stacking energy: -51.190 Base-Backbone interact. energy: 0.455 local terms energy: -75.333809 where: bonds (distance) C4'-P energy: -19.001 bonds (distance) P-C4' energy: -18.304 flat angles C4'-P-C4' energy: -18.001 flat angles P-C4'-P energy: -8.808 tors. eta vs tors. theta energy: -11.220 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: 9 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -188.193856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.193856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.193856 (E_RNA) where: Base-Base interactions energy: -105.471 where: short stacking energy: -62.690 Base-Backbone interact. energy: -0.073 local terms energy: -82.650391 where: bonds (distance) C4'-P energy: -13.217 bonds (distance) P-C4' energy: -19.879 flat angles C4'-P-C4' energy: -18.222 flat angles P-C4'-P energy: -12.334 tors. eta vs tors. theta energy: -18.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -194.240646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.240646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.240646 (E_RNA) where: Base-Base interactions energy: -119.108 where: short stacking energy: -68.535 Base-Backbone interact. energy: -0.966 local terms energy: -74.166787 where: bonds (distance) C4'-P energy: -16.206 bonds (distance) P-C4' energy: -17.275 flat angles C4'-P-C4' energy: -17.548 flat angles P-C4'-P energy: -6.927 tors. eta vs tors. theta energy: -16.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -98.576952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.576952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.576952 (E_RNA) where: Base-Base interactions energy: -38.168 where: short stacking energy: -38.168 Base-Backbone interact. energy: -0.153 local terms energy: -60.256426 where: bonds (distance) C4'-P energy: -19.452 bonds (distance) P-C4' energy: -13.833 flat angles C4'-P-C4' energy: -12.244 flat angles P-C4'-P energy: -9.349 tors. eta vs tors. theta energy: -5.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -290.145554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.145554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.145554 (E_RNA) where: Base-Base interactions energy: -203.967 where: short stacking energy: -81.995 Base-Backbone interact. energy: -1.658 local terms energy: -84.520062 where: bonds (distance) C4'-P energy: -15.899 bonds (distance) P-C4' energy: -18.352 flat angles C4'-P-C4' energy: -15.853 flat angles P-C4'-P energy: -12.822 tors. eta vs tors. theta energy: -21.593 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: 79 Temperature: 0.950000 Total energy: -248.195623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.195623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.195623 (E_RNA) where: Base-Base interactions energy: -168.744 where: short stacking energy: -77.976 Base-Backbone interact. energy: -0.344 local terms energy: -79.107796 where: bonds (distance) C4'-P energy: -17.999 bonds (distance) P-C4' energy: -19.008 flat angles C4'-P-C4' energy: -17.010 flat angles P-C4'-P energy: -5.196 tors. eta vs tors. theta energy: -19.895 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: 7 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -290.075581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.075581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.075581 (E_RNA) where: Base-Base interactions energy: -206.071 where: short stacking energy: -89.581 Base-Backbone interact. energy: -2.058 local terms energy: -81.946718 where: bonds (distance) C4'-P energy: -12.582 bonds (distance) P-C4' energy: -19.190 flat angles C4'-P-C4' energy: -16.781 flat angles P-C4'-P energy: -10.587 tors. eta vs tors. theta energy: -22.807 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: 4, replica: 10 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -251.957369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.957369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.957369 (E_RNA) where: Base-Base interactions energy: -177.388 where: short stacking energy: -84.460 Base-Backbone interact. energy: -0.007 local terms energy: -74.562013 where: bonds (distance) C4'-P energy: -15.797 bonds (distance) P-C4' energy: -12.026 flat angles C4'-P-C4' energy: -17.407 flat angles P-C4'-P energy: -7.503 tors. eta vs tors. theta energy: -21.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -238.138763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.138763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.138763 (E_RNA) where: Base-Base interactions energy: -156.766 where: short stacking energy: -77.886 Base-Backbone interact. energy: -0.024 local terms energy: -81.349272 where: bonds (distance) C4'-P energy: -16.881 bonds (distance) P-C4' energy: -15.191 flat angles C4'-P-C4' energy: -16.268 flat angles P-C4'-P energy: -11.668 tors. eta vs tors. theta energy: -21.341 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: 6, replica: 8 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -218.149383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.149383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.149383 (E_RNA) where: Base-Base interactions energy: -143.036 where: short stacking energy: -73.278 Base-Backbone interact. energy: -0.694 local terms energy: -74.420209 where: bonds (distance) C4'-P energy: -14.476 bonds (distance) P-C4' energy: -17.580 flat angles C4'-P-C4' energy: -14.764 flat angles P-C4'-P energy: -10.270 tors. eta vs tors. theta energy: -17.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -205.706174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.706174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.706174 (E_RNA) where: Base-Base interactions energy: -137.062 where: short stacking energy: -68.084 Base-Backbone interact. energy: 0.183 local terms energy: -68.827033 where: bonds (distance) C4'-P energy: -12.179 bonds (distance) P-C4' energy: -12.458 flat angles C4'-P-C4' energy: -16.869 flat angles P-C4'-P energy: -11.010 tors. eta vs tors. theta energy: -16.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -176.503217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.503217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.503217 (E_RNA) where: Base-Base interactions energy: -104.624 where: short stacking energy: -64.520 Base-Backbone interact. energy: -0.423 local terms energy: -71.455714 where: bonds (distance) C4'-P energy: -12.079 bonds (distance) P-C4' energy: -18.188 flat angles C4'-P-C4' energy: -13.509 flat angles P-C4'-P energy: -11.332 tors. eta vs tors. theta energy: -16.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -172.408481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.408481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.408481 (E_RNA) where: Base-Base interactions energy: -108.812 where: short stacking energy: -51.780 Base-Backbone interact. energy: -0.475 local terms energy: -63.120550 where: bonds (distance) C4'-P energy: -9.660 bonds (distance) P-C4' energy: -15.607 flat angles C4'-P-C4' energy: -18.238 flat angles P-C4'-P energy: -10.818 tors. eta vs tors. theta energy: -8.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -101.800409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.800409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.800409 (E_RNA) where: Base-Base interactions energy: -35.503 where: short stacking energy: -30.484 Base-Backbone interact. energy: -0.141 local terms energy: -66.156353 where: bonds (distance) C4'-P energy: -18.471 bonds (distance) P-C4' energy: -11.300 flat angles C4'-P-C4' energy: -17.624 flat angles P-C4'-P energy: -10.907 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: 1, replica: 3 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -288.586954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.586954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.586954 (E_RNA) where: Base-Base interactions energy: -207.497 where: short stacking energy: -89.145 Base-Backbone interact. energy: -0.926 local terms energy: -80.164686 where: bonds (distance) C4'-P energy: -11.519 bonds (distance) P-C4' energy: -19.372 flat angles C4'-P-C4' energy: -17.233 flat angles P-C4'-P energy: -10.197 tors. eta vs tors. theta energy: -21.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -249.219848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.219848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.219848 (E_RNA) where: Base-Base interactions energy: -166.448 where: short stacking energy: -80.212 Base-Backbone interact. energy: -0.042 local terms energy: -82.729940 where: bonds (distance) C4'-P energy: -14.476 bonds (distance) P-C4' energy: -18.521 flat angles C4'-P-C4' energy: -19.126 flat angles P-C4'-P energy: -9.190 tors. eta vs tors. theta energy: -21.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -283.346096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.346096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.346096 (E_RNA) where: Base-Base interactions energy: -206.316 where: short stacking energy: -86.863 Base-Backbone interact. energy: -1.707 local terms energy: -75.323607 where: bonds (distance) C4'-P energy: -12.592 bonds (distance) P-C4' energy: -17.724 flat angles C4'-P-C4' energy: -13.989 flat angles P-C4'-P energy: -11.883 tors. eta vs tors. theta energy: -19.136 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: 80 Temperature: 1.050000 Total energy: -247.296644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.296644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.296644 (E_RNA) where: Base-Base interactions energy: -167.165 where: short stacking energy: -87.979 Base-Backbone interact. energy: -0.135 local terms energy: -79.997284 where: bonds (distance) C4'-P energy: -15.311 bonds (distance) P-C4' energy: -18.908 flat angles C4'-P-C4' energy: -15.295 flat angles P-C4'-P energy: -8.989 tors. eta vs tors. theta energy: -21.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -237.288613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.288613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.288613 (E_RNA) where: Base-Base interactions energy: -151.563 where: short stacking energy: -69.710 Base-Backbone interact. energy: -0.181 local terms energy: -85.544106 where: bonds (distance) C4'-P energy: -16.312 bonds (distance) P-C4' energy: -19.100 flat angles C4'-P-C4' energy: -19.800 flat angles P-C4'-P energy: -12.901 tors. eta vs tors. theta energy: -17.431 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: 6, replica: 2 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -235.406943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.406943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.406943 (E_RNA) where: Base-Base interactions energy: -167.149 where: short stacking energy: -86.283 Base-Backbone interact. energy: -0.049 local terms energy: -68.208710 where: bonds (distance) C4'-P energy: -14.218 bonds (distance) P-C4' energy: -7.293 flat angles C4'-P-C4' energy: -19.518 flat angles P-C4'-P energy: -8.002 tors. eta vs tors. theta energy: -19.177 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: 1 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -191.459852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.459852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.459852 (E_RNA) where: Base-Base interactions energy: -121.914 where: short stacking energy: -54.299 Base-Backbone interact. energy: -0.084 local terms energy: -69.461975 where: bonds (distance) C4'-P energy: -13.196 bonds (distance) P-C4' energy: -16.972 flat angles C4'-P-C4' energy: -17.832 flat angles P-C4'-P energy: -8.493 tors. eta vs tors. theta energy: -12.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -210.300991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.300991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.300991 (E_RNA) where: Base-Base interactions energy: -140.912 where: short stacking energy: -64.730 Base-Backbone interact. energy: -0.543 local terms energy: -68.846308 where: bonds (distance) C4'-P energy: -12.177 bonds (distance) P-C4' energy: -16.074 flat angles C4'-P-C4' energy: -15.054 flat angles P-C4'-P energy: -10.309 tors. eta vs tors. theta energy: -15.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -102.896303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.896303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.896303 (E_RNA) where: Base-Base interactions energy: -38.617 where: short stacking energy: -36.823 Base-Backbone interact. energy: 0.437 local terms energy: -64.716135 where: bonds (distance) C4'-P energy: -19.042 bonds (distance) P-C4' energy: -16.755 flat angles C4'-P-C4' energy: -17.572 flat angles P-C4'-P energy: -7.634 tors. eta vs tors. theta energy: -3.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -160.755251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.755251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.755251 (E_RNA) where: Base-Base interactions energy: -109.652 where: short stacking energy: -48.650 Base-Backbone interact. energy: -0.757 local terms energy: -50.346062 where: bonds (distance) C4'-P energy: -16.208 bonds (distance) P-C4' energy: -9.690 flat angles C4'-P-C4' energy: -15.851 flat angles P-C4'-P energy: -1.095 tors. eta vs tors. theta energy: -7.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -281.756963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.756963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.756963 (E_RNA) where: Base-Base interactions energy: -198.541 where: short stacking energy: -88.986 Base-Backbone interact. energy: -2.629 local terms energy: -80.587256 where: bonds (distance) C4'-P energy: -15.716 bonds (distance) P-C4' energy: -15.826 flat angles C4'-P-C4' energy: -19.041 flat angles P-C4'-P energy: -11.653 tors. eta vs tors. theta energy: -18.352 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: 81 Temperature: 0.950000 Total energy: -286.629866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.629866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.629866 (E_RNA) where: Base-Base interactions energy: -203.518 where: short stacking energy: -87.730 Base-Backbone interact. energy: -1.133 local terms energy: -81.978493 where: bonds (distance) C4'-P energy: -19.559 bonds (distance) P-C4' energy: -12.710 flat angles C4'-P-C4' energy: -17.430 flat angles P-C4'-P energy: -10.842 tors. eta vs tors. theta energy: -21.438 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: 6 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -261.689546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.689546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.689546 (E_RNA) where: Base-Base interactions energy: -179.068 where: short stacking energy: -91.877 Base-Backbone interact. energy: -0.965 local terms energy: -81.657175 where: bonds (distance) C4'-P energy: -16.616 bonds (distance) P-C4' energy: -16.130 flat angles C4'-P-C4' energy: -15.938 flat angles P-C4'-P energy: -7.615 tors. eta vs tors. theta energy: -25.359 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: 8 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -257.311379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.311379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.311379 (E_RNA) where: Base-Base interactions energy: -170.064 where: short stacking energy: -87.879 Base-Backbone interact. energy: -0.759 local terms energy: -86.488181 where: bonds (distance) C4'-P energy: -15.891 bonds (distance) P-C4' energy: -17.707 flat angles C4'-P-C4' energy: -18.289 flat angles P-C4'-P energy: -10.693 tors. eta vs tors. theta energy: -23.909 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: 10 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -229.874546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.874546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.874546 (E_RNA) where: Base-Base interactions energy: -162.238 where: short stacking energy: -72.809 Base-Backbone interact. energy: -1.166 local terms energy: -66.470127 where: bonds (distance) C4'-P energy: -14.297 bonds (distance) P-C4' energy: -16.355 flat angles C4'-P-C4' energy: -13.913 flat angles P-C4'-P energy: -5.822 tors. eta vs tors. theta energy: -16.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -222.345395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.345395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.345395 (E_RNA) where: Base-Base interactions energy: -142.799 where: short stacking energy: -67.295 Base-Backbone interact. energy: -0.253 local terms energy: -79.293567 where: bonds (distance) C4'-P energy: -16.189 bonds (distance) P-C4' energy: -16.371 flat angles C4'-P-C4' energy: -17.565 flat angles P-C4'-P energy: -11.150 tors. eta vs tors. theta energy: -18.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -167.971110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.971110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.971110 (E_RNA) where: Base-Base interactions energy: -103.862 where: short stacking energy: -45.578 Base-Backbone interact. energy: -0.211 local terms energy: -63.897909 where: bonds (distance) C4'-P energy: -15.535 bonds (distance) P-C4' energy: -16.280 flat angles C4'-P-C4' energy: -16.634 flat angles P-C4'-P energy: -9.266 tors. eta vs tors. theta energy: -6.183 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: 4 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -224.086878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.086878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.086878 (E_RNA) where: Base-Base interactions energy: -155.022 where: short stacking energy: -79.653 Base-Backbone interact. energy: 1.439 local terms energy: -70.503485 where: bonds (distance) C4'-P energy: -15.510 bonds (distance) P-C4' energy: -13.764 flat angles C4'-P-C4' energy: -13.382 flat angles P-C4'-P energy: -9.996 tors. eta vs tors. theta energy: -17.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -103.562356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.562356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.562356 (E_RNA) where: Base-Base interactions energy: -41.427 where: short stacking energy: -37.809 Base-Backbone interact. energy: -0.207 local terms energy: -61.928488 where: bonds (distance) C4'-P energy: -13.838 bonds (distance) P-C4' energy: -19.468 flat angles C4'-P-C4' energy: -11.845 flat angles P-C4'-P energy: -9.231 tors. eta vs tors. theta energy: -7.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -174.029903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.029903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.029903 (E_RNA) where: Base-Base interactions energy: -104.754 where: short stacking energy: -59.078 Base-Backbone interact. energy: -0.056 local terms energy: -69.220440 where: bonds (distance) C4'-P energy: -17.494 bonds (distance) P-C4' energy: -16.151 flat angles C4'-P-C4' energy: -17.561 flat angles P-C4'-P energy: -6.634 tors. eta vs tors. theta energy: -11.380 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: 82 Temperature: 0.900000 Total energy: -289.358668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.358668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.358668 (E_RNA) where: Base-Base interactions energy: -208.309 where: short stacking energy: -93.321 Base-Backbone interact. energy: -0.337 local terms energy: -80.712449 where: bonds (distance) C4'-P energy: -17.742 bonds (distance) P-C4' energy: -16.210 flat angles C4'-P-C4' energy: -16.667 flat angles P-C4'-P energy: -9.628 tors. eta vs tors. theta energy: -20.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -287.578576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.578576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.578576 (E_RNA) where: Base-Base interactions energy: -203.955 where: short stacking energy: -85.973 Base-Backbone interact. energy: -0.239 local terms energy: -83.384591 where: bonds (distance) C4'-P energy: -15.329 bonds (distance) P-C4' energy: -15.865 flat angles C4'-P-C4' energy: -19.868 flat angles P-C4'-P energy: -10.971 tors. eta vs tors. theta energy: -21.352 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: 8 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -253.942564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.942564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.942564 (E_RNA) where: Base-Base interactions energy: -168.380 where: short stacking energy: -89.500 Base-Backbone interact. energy: 0.006 local terms energy: -85.568863 where: bonds (distance) C4'-P energy: -18.885 bonds (distance) P-C4' energy: -13.848 flat angles C4'-P-C4' energy: -17.981 flat angles P-C4'-P energy: -11.901 tors. eta vs tors. theta energy: -22.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -247.776899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.776899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.776899 (E_RNA) where: Base-Base interactions energy: -167.428 where: short stacking energy: -85.334 Base-Backbone interact. energy: -0.341 local terms energy: -80.007572 where: bonds (distance) C4'-P energy: -16.000 bonds (distance) P-C4' energy: -15.441 flat angles C4'-P-C4' energy: -19.497 flat angles P-C4'-P energy: -8.181 tors. eta vs tors. theta energy: -20.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -242.505623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.505623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.505623 (E_RNA) where: Base-Base interactions energy: -161.301 where: short stacking energy: -86.991 Base-Backbone interact. energy: -0.531 local terms energy: -80.673743 where: bonds (distance) C4'-P energy: -15.336 bonds (distance) P-C4' energy: -15.492 flat angles C4'-P-C4' energy: -18.265 flat angles P-C4'-P energy: -9.985 tors. eta vs tors. theta energy: -21.595 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: 82 Temperature: 1.150000 Total energy: -227.818055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.818055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.818055 (E_RNA) where: Base-Base interactions energy: -148.857 where: short stacking energy: -78.241 Base-Backbone interact. energy: 0.035 local terms energy: -78.996142 where: bonds (distance) C4'-P energy: -15.176 bonds (distance) P-C4' energy: -12.657 flat angles C4'-P-C4' energy: -19.953 flat angles P-C4'-P energy: -12.172 tors. eta vs tors. theta energy: -19.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -229.224907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.224907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.224907 (E_RNA) where: Base-Base interactions energy: -163.573 where: short stacking energy: -85.683 Base-Backbone interact. energy: 0.167 local terms energy: -65.819486 where: bonds (distance) C4'-P energy: -16.255 bonds (distance) P-C4' energy: -10.567 flat angles C4'-P-C4' energy: -11.209 flat angles P-C4'-P energy: -8.134 tors. eta vs tors. theta energy: -19.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -163.876442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.876442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.876442 (E_RNA) where: Base-Base interactions energy: -104.936 where: short stacking energy: -55.247 Base-Backbone interact. energy: -0.278 local terms energy: -58.662877 where: bonds (distance) C4'-P energy: -8.687 bonds (distance) P-C4' energy: -12.644 flat angles C4'-P-C4' energy: -16.397 flat angles P-C4'-P energy: -14.155 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: 9, replica: 9 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -169.890275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.890275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.890275 (E_RNA) where: Base-Base interactions energy: -111.866 where: short stacking energy: -56.386 Base-Backbone interact. energy: 1.639 local terms energy: -59.663275 where: bonds (distance) C4'-P energy: -9.557 bonds (distance) P-C4' energy: -15.687 flat angles C4'-P-C4' energy: -13.838 flat angles P-C4'-P energy: -10.950 tors. eta vs tors. theta energy: -9.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -92.703076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.703076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.703076 (E_RNA) where: Base-Base interactions energy: -41.665 where: short stacking energy: -37.215 Base-Backbone interact. energy: -0.408 local terms energy: -50.630220 where: bonds (distance) C4'-P energy: -14.193 bonds (distance) P-C4' energy: -14.741 flat angles C4'-P-C4' energy: -10.441 flat angles P-C4'-P energy: -7.698 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: 1, replica: 7 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -284.382846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.382846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.382846 (E_RNA) where: Base-Base interactions energy: -196.990 where: short stacking energy: -82.121 Base-Backbone interact. energy: -2.299 local terms energy: -85.094564 where: bonds (distance) C4'-P energy: -19.111 bonds (distance) P-C4' energy: -18.020 flat angles C4'-P-C4' energy: -13.464 flat angles P-C4'-P energy: -12.044 tors. eta vs tors. theta energy: -22.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -289.880406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.880406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.880406 (E_RNA) where: Base-Base interactions energy: -201.425 where: short stacking energy: -86.051 Base-Backbone interact. energy: -1.077 local terms energy: -87.378771 where: bonds (distance) C4'-P energy: -17.676 bonds (distance) P-C4' energy: -17.691 flat angles C4'-P-C4' energy: -19.797 flat angles P-C4'-P energy: -10.430 tors. eta vs tors. theta energy: -21.785 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: 83 Temperature: 1.000000 Total energy: -243.553954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.553954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.553954 (E_RNA) where: Base-Base interactions energy: -161.904 where: short stacking energy: -79.550 Base-Backbone interact. energy: 0.221 local terms energy: -81.870027 where: bonds (distance) C4'-P energy: -14.861 bonds (distance) P-C4' energy: -17.113 flat angles C4'-P-C4' energy: -18.997 flat angles P-C4'-P energy: -9.251 tors. eta vs tors. theta energy: -21.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -246.986821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.986821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.986821 (E_RNA) where: Base-Base interactions energy: -165.817 where: short stacking energy: -82.060 Base-Backbone interact. energy: -0.112 local terms energy: -81.058220 where: bonds (distance) C4'-P energy: -16.532 bonds (distance) P-C4' energy: -16.440 flat angles C4'-P-C4' energy: -18.011 flat angles P-C4'-P energy: -11.591 tors. eta vs tors. theta energy: -18.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -240.133534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.133534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.133534 (E_RNA) where: Base-Base interactions energy: -162.768 where: short stacking energy: -87.100 Base-Backbone interact. energy: 0.007 local terms energy: -77.372903 where: bonds (distance) C4'-P energy: -19.220 bonds (distance) P-C4' energy: -12.929 flat angles C4'-P-C4' energy: -17.257 flat angles P-C4'-P energy: -9.016 tors. eta vs tors. theta energy: -18.951 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: 6, replica: 4 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -219.941845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.941845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.941845 (E_RNA) where: Base-Base interactions energy: -151.118 where: short stacking energy: -74.519 Base-Backbone interact. energy: -0.401 local terms energy: -68.423241 where: bonds (distance) C4'-P energy: -13.154 bonds (distance) P-C4' energy: -11.081 flat angles C4'-P-C4' energy: -18.768 flat angles P-C4'-P energy: -10.778 tors. eta vs tors. theta energy: -14.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -210.969398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.969398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.969398 (E_RNA) where: Base-Base interactions energy: -139.201 where: short stacking energy: -66.832 Base-Backbone interact. energy: -0.088 local terms energy: -71.680998 where: bonds (distance) C4'-P energy: -16.682 bonds (distance) P-C4' energy: -13.751 flat angles C4'-P-C4' energy: -15.610 flat angles P-C4'-P energy: -8.634 tors. eta vs tors. theta energy: -17.003 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: 1 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -177.002471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.002471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.002471 (E_RNA) where: Base-Base interactions energy: -104.393 where: short stacking energy: -56.478 Base-Backbone interact. energy: -0.369 local terms energy: -72.241062 where: bonds (distance) C4'-P energy: -16.355 bonds (distance) P-C4' energy: -15.696 flat angles C4'-P-C4' energy: -16.352 flat angles P-C4'-P energy: -12.652 tors. eta vs tors. theta energy: -11.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -156.662017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.662017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.662017 (E_RNA) where: Base-Base interactions energy: -93.501 where: short stacking energy: -43.612 Base-Backbone interact. energy: 0.991 local terms energy: -64.151704 where: bonds (distance) C4'-P energy: -14.542 bonds (distance) P-C4' energy: -18.942 flat angles C4'-P-C4' energy: -12.191 flat angles P-C4'-P energy: -12.767 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: 5 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -103.839301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.839301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.839301 (E_RNA) where: Base-Base interactions energy: -45.179 where: short stacking energy: -45.179 Base-Backbone interact. energy: -0.082 local terms energy: -58.578552 where: bonds (distance) C4'-P energy: -11.623 bonds (distance) P-C4' energy: -16.684 flat angles C4'-P-C4' energy: -13.748 flat angles P-C4'-P energy: -6.325 tors. eta vs tors. theta energy: -10.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -287.059823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.059823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.059823 (E_RNA) where: Base-Base interactions energy: -203.601 where: short stacking energy: -86.142 Base-Backbone interact. energy: -1.685 local terms energy: -81.774054 where: bonds (distance) C4'-P energy: -16.269 bonds (distance) P-C4' energy: -17.204 flat angles C4'-P-C4' energy: -15.910 flat angles P-C4'-P energy: -10.581 tors. eta vs tors. theta energy: -21.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -290.967995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.967995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.967995 (E_RNA) where: Base-Base interactions energy: -214.261 where: short stacking energy: -86.477 Base-Backbone interact. energy: -0.187 local terms energy: -76.520590 where: bonds (distance) C4'-P energy: -15.648 bonds (distance) P-C4' energy: -16.825 flat angles C4'-P-C4' energy: -16.283 flat angles P-C4'-P energy: -8.408 tors. eta vs tors. theta energy: -19.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -227.957159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.957159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.957159 (E_RNA) where: Base-Base interactions energy: -153.671 where: short stacking energy: -76.340 Base-Backbone interact. energy: -0.029 local terms energy: -74.257396 where: bonds (distance) C4'-P energy: -15.915 bonds (distance) P-C4' energy: -17.658 flat angles C4'-P-C4' energy: -19.070 flat angles P-C4'-P energy: -8.262 tors. eta vs tors. theta energy: -13.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -246.199752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.199752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.199752 (E_RNA) where: Base-Base interactions energy: -170.967 where: short stacking energy: -81.123 Base-Backbone interact. energy: 0.112 local terms energy: -75.344236 where: bonds (distance) C4'-P energy: -10.837 bonds (distance) P-C4' energy: -15.141 flat angles C4'-P-C4' energy: -14.626 flat angles P-C4'-P energy: -11.727 tors. eta vs tors. theta energy: -23.013 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: 6 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -236.215509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.215509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.215509 (E_RNA) where: Base-Base interactions energy: -173.305 where: short stacking energy: -85.233 Base-Backbone interact. energy: 0.636 local terms energy: -63.546262 where: bonds (distance) C4'-P energy: -13.404 bonds (distance) P-C4' energy: -15.392 flat angles C4'-P-C4' energy: -7.852 flat angles P-C4'-P energy: -9.548 tors. eta vs tors. theta energy: -17.350 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: 4 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -229.700331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.700331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.700331 (E_RNA) where: Base-Base interactions energy: -160.544 where: short stacking energy: -75.736 Base-Backbone interact. energy: -0.874 local terms energy: -68.282385 where: bonds (distance) C4'-P energy: -12.796 bonds (distance) P-C4' energy: -15.844 flat angles C4'-P-C4' energy: -12.222 flat angles P-C4'-P energy: -8.592 tors. eta vs tors. theta energy: -18.829 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: 84 Temperature: 1.200000 Total energy: -210.709596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.709596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.709596 (E_RNA) where: Base-Base interactions energy: -142.685 where: short stacking energy: -67.106 Base-Backbone interact. energy: -0.872 local terms energy: -67.152737 where: bonds (distance) C4'-P energy: -12.911 bonds (distance) P-C4' energy: -17.646 flat angles C4'-P-C4' energy: -17.237 flat angles P-C4'-P energy: -7.725 tors. eta vs tors. theta energy: -11.633 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: 8, replica: 1 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -173.505939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.505939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.505939 (E_RNA) where: Base-Base interactions energy: -109.819 where: short stacking energy: -58.393 Base-Backbone interact. energy: -0.897 local terms energy: -62.790088 where: bonds (distance) C4'-P energy: -10.591 bonds (distance) P-C4' energy: -12.254 flat angles C4'-P-C4' energy: -12.720 flat angles P-C4'-P energy: -13.305 tors. eta vs tors. theta energy: -13.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -107.864491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.864491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.864491 (E_RNA) where: Base-Base interactions energy: -50.134 where: short stacking energy: -34.466 Base-Backbone interact. energy: -0.467 local terms energy: -57.263702 where: bonds (distance) C4'-P energy: -11.320 bonds (distance) P-C4' energy: -14.484 flat angles C4'-P-C4' energy: -18.463 flat angles P-C4'-P energy: -11.116 tors. eta vs tors. theta energy: -1.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -154.175580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.175580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.175580 (E_RNA) where: Base-Base interactions energy: -92.650 where: short stacking energy: -41.362 Base-Backbone interact. energy: -0.250 local terms energy: -61.274956 where: bonds (distance) C4'-P energy: -18.268 bonds (distance) P-C4' energy: -16.653 flat angles C4'-P-C4' energy: -10.541 flat angles P-C4'-P energy: -8.930 tors. eta vs tors. theta energy: -6.882 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: 1, replica: 3 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -284.338720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.338720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.338720 (E_RNA) where: Base-Base interactions energy: -195.425 where: short stacking energy: -85.289 Base-Backbone interact. energy: 0.175 local terms energy: -89.088654 where: bonds (distance) C4'-P energy: -17.236 bonds (distance) P-C4' energy: -16.326 flat angles C4'-P-C4' energy: -19.121 flat angles P-C4'-P energy: -14.316 tors. eta vs tors. theta energy: -22.090 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: 2, replica: 7 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -290.051177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.051177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.051177 (E_RNA) where: Base-Base interactions energy: -201.309 where: short stacking energy: -86.317 Base-Backbone interact. energy: -1.880 local terms energy: -86.861899 where: bonds (distance) C4'-P energy: -18.048 bonds (distance) P-C4' energy: -17.380 flat angles C4'-P-C4' energy: -17.990 flat angles P-C4'-P energy: -10.274 tors. eta vs tors. theta energy: -23.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -244.774401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.774401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.774401 (E_RNA) where: Base-Base interactions energy: -159.201 where: short stacking energy: -84.757 Base-Backbone interact. energy: -0.718 local terms energy: -84.855360 where: bonds (distance) C4'-P energy: -15.125 bonds (distance) P-C4' energy: -17.641 flat angles C4'-P-C4' energy: -17.867 flat angles P-C4'-P energy: -12.799 tors. eta vs tors. theta energy: -21.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -242.644486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.644486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.644486 (E_RNA) where: Base-Base interactions energy: -176.750 where: short stacking energy: -81.217 Base-Backbone interact. energy: -0.704 local terms energy: -65.190877 where: bonds (distance) C4'-P energy: -10.631 bonds (distance) P-C4' energy: -16.268 flat angles C4'-P-C4' energy: -15.650 flat angles P-C4'-P energy: -5.652 tors. eta vs tors. theta energy: -16.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -244.581126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.581126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.581126 (E_RNA) where: Base-Base interactions energy: -168.623 where: short stacking energy: -83.215 Base-Backbone interact. energy: -0.592 local terms energy: -75.366580 where: bonds (distance) C4'-P energy: -13.201 bonds (distance) P-C4' energy: -18.129 flat angles C4'-P-C4' energy: -15.100 flat angles P-C4'-P energy: -7.937 tors. eta vs tors. theta energy: -21.000 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: 4 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -225.698403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.698403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.698403 (E_RNA) where: Base-Base interactions energy: -149.764 where: short stacking energy: -80.286 Base-Backbone interact. energy: -0.403 local terms energy: -75.530981 where: bonds (distance) C4'-P energy: -14.111 bonds (distance) P-C4' energy: -19.255 flat angles C4'-P-C4' energy: -14.466 flat angles P-C4'-P energy: -8.548 tors. eta vs tors. theta energy: -19.150 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: 7, replica: 10 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -215.490347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.490347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.490347 (E_RNA) where: Base-Base interactions energy: -150.786 where: short stacking energy: -70.715 Base-Backbone interact. energy: -0.198 local terms energy: -64.505619 where: bonds (distance) C4'-P energy: -14.583 bonds (distance) P-C4' energy: -16.679 flat angles C4'-P-C4' energy: -14.941 flat angles P-C4'-P energy: -7.640 tors. eta vs tors. theta energy: -10.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -179.912848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.912848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.912848 (E_RNA) where: Base-Base interactions energy: -117.085 where: short stacking energy: -61.975 Base-Backbone interact. energy: -1.307 local terms energy: -61.520274 where: bonds (distance) C4'-P energy: -6.867 bonds (distance) P-C4' energy: -14.533 flat angles C4'-P-C4' energy: -17.194 flat angles P-C4'-P energy: -10.885 tors. eta vs tors. theta energy: -12.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -107.959435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.959435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.959435 (E_RNA) where: Base-Base interactions energy: -46.667 where: short stacking energy: -44.244 Base-Backbone interact. energy: -0.056 local terms energy: -61.236330 where: bonds (distance) C4'-P energy: -15.816 bonds (distance) P-C4' energy: -17.286 flat angles C4'-P-C4' energy: -8.698 flat angles P-C4'-P energy: -5.818 tors. eta vs tors. theta energy: -13.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -150.727083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.727083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.727083 (E_RNA) where: Base-Base interactions energy: -92.115 where: short stacking energy: -33.392 Base-Backbone interact. energy: -0.391 local terms energy: -58.220946 where: bonds (distance) C4'-P energy: -16.359 bonds (distance) P-C4' energy: -14.432 flat angles C4'-P-C4' energy: -16.038 flat angles P-C4'-P energy: -8.329 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: 1, replica: 7 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -281.864189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.864189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.864189 (E_RNA) where: Base-Base interactions energy: -200.423 where: short stacking energy: -93.422 Base-Backbone interact. energy: 0.038 local terms energy: -81.479167 where: bonds (distance) C4'-P energy: -15.773 bonds (distance) P-C4' energy: -16.766 flat angles C4'-P-C4' energy: -18.058 flat angles P-C4'-P energy: -8.087 tors. eta vs tors. theta energy: -22.795 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: 2, replica: 3 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -276.437468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.437468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.437468 (E_RNA) where: Base-Base interactions energy: -200.895 where: short stacking energy: -86.875 Base-Backbone interact. energy: -0.071 local terms energy: -75.472090 where: bonds (distance) C4'-P energy: -18.306 bonds (distance) P-C4' energy: -11.781 flat angles C4'-P-C4' energy: -19.823 flat angles P-C4'-P energy: -7.918 tors. eta vs tors. theta energy: -17.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -256.458665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.458665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.458665 (E_RNA) where: Base-Base interactions energy: -185.551 where: short stacking energy: -88.115 Base-Backbone interact. energy: 0.478 local terms energy: -71.384830 where: bonds (distance) C4'-P energy: -16.765 bonds (distance) P-C4' energy: -11.959 flat angles C4'-P-C4' energy: -15.561 flat angles P-C4'-P energy: -7.228 tors. eta vs tors. theta energy: -19.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -237.766357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.766357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.766357 (E_RNA) where: Base-Base interactions energy: -158.572 where: short stacking energy: -82.984 Base-Backbone interact. energy: -0.623 local terms energy: -78.570776 where: bonds (distance) C4'-P energy: -17.614 bonds (distance) P-C4' energy: -13.852 flat angles C4'-P-C4' energy: -19.034 flat angles P-C4'-P energy: -8.850 tors. eta vs tors. theta energy: -19.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -237.506223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.506223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.506223 (E_RNA) where: Base-Base interactions energy: -162.055 where: short stacking energy: -70.733 Base-Backbone interact. energy: 0.811 local terms energy: -76.262117 where: bonds (distance) C4'-P energy: -10.407 bonds (distance) P-C4' energy: -19.746 flat angles C4'-P-C4' energy: -19.973 flat angles P-C4'-P energy: -9.559 tors. eta vs tors. theta energy: -16.578 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: 6, replica: 2 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -214.485041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.485041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.485041 (E_RNA) where: Base-Base interactions energy: -142.464 where: short stacking energy: -65.101 Base-Backbone interact. energy: -0.555 local terms energy: -71.465938 where: bonds (distance) C4'-P energy: -16.719 bonds (distance) P-C4' energy: -17.619 flat angles C4'-P-C4' energy: -16.314 flat angles P-C4'-P energy: -8.203 tors. eta vs tors. theta energy: -12.612 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: 10 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -214.801108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.801108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.801108 (E_RNA) where: Base-Base interactions energy: -140.373 where: short stacking energy: -64.789 Base-Backbone interact. energy: -0.066 local terms energy: -74.361309 where: bonds (distance) C4'-P energy: -12.560 bonds (distance) P-C4' energy: -21.798 flat angles C4'-P-C4' energy: -14.212 flat angles P-C4'-P energy: -9.444 tors. eta vs tors. theta energy: -16.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -172.740220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.740220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.740220 (E_RNA) where: Base-Base interactions energy: -107.186 where: short stacking energy: -61.007 Base-Backbone interact. energy: -0.010 local terms energy: -65.544678 where: bonds (distance) C4'-P energy: -15.159 bonds (distance) P-C4' energy: -16.918 flat angles C4'-P-C4' energy: -10.935 flat angles P-C4'-P energy: -10.211 tors. eta vs tors. theta energy: -12.321 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: 9 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -157.796736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.796736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.796736 (E_RNA) where: Base-Base interactions energy: -110.275 where: short stacking energy: -58.813 Base-Backbone interact. energy: -0.243 local terms energy: -47.278707 where: bonds (distance) C4'-P energy: -14.282 bonds (distance) P-C4' energy: -13.027 flat angles C4'-P-C4' energy: -12.725 flat angles P-C4'-P energy: -3.166 tors. eta vs tors. theta energy: -4.079 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: 10, replica: 5 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -112.800560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.800560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.800560 (E_RNA) where: Base-Base interactions energy: -54.394 where: short stacking energy: -41.408 Base-Backbone interact. energy: 0.036 local terms energy: -58.442572 where: bonds (distance) C4'-P energy: -10.395 bonds (distance) P-C4' energy: -18.111 flat angles C4'-P-C4' energy: -10.918 flat angles P-C4'-P energy: -12.512 tors. eta vs tors. theta energy: -6.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -289.379095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.379095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.379095 (E_RNA) where: Base-Base interactions energy: -212.348 where: short stacking energy: -93.836 Base-Backbone interact. energy: -0.819 local terms energy: -76.212198 where: bonds (distance) C4'-P energy: -14.365 bonds (distance) P-C4' energy: -15.776 flat angles C4'-P-C4' energy: -15.914 flat angles P-C4'-P energy: -9.164 tors. eta vs tors. theta energy: -20.993 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: 3 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -288.789119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.789119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.789119 (E_RNA) where: Base-Base interactions energy: -205.030 where: short stacking energy: -93.363 Base-Backbone interact. energy: -0.976 local terms energy: -82.783473 where: bonds (distance) C4'-P energy: -15.631 bonds (distance) P-C4' energy: -12.643 flat angles C4'-P-C4' energy: -18.821 flat angles P-C4'-P energy: -13.737 tors. eta vs tors. theta energy: -21.952 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: 6 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -268.591630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.591630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.591630 (E_RNA) where: Base-Base interactions energy: -184.513 where: short stacking energy: -98.318 Base-Backbone interact. energy: -0.346 local terms energy: -83.733427 where: bonds (distance) C4'-P energy: -16.686 bonds (distance) P-C4' energy: -11.695 flat angles C4'-P-C4' energy: -18.669 flat angles P-C4'-P energy: -11.026 tors. eta vs tors. theta energy: -25.657 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: 4 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -249.489025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.489025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.489025 (E_RNA) where: Base-Base interactions energy: -170.607 where: short stacking energy: -86.635 Base-Backbone interact. energy: -0.536 local terms energy: -78.345534 where: bonds (distance) C4'-P energy: -12.485 bonds (distance) P-C4' energy: -16.409 flat angles C4'-P-C4' energy: -17.442 flat angles P-C4'-P energy: -9.863 tors. eta vs tors. theta energy: -22.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -217.476128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.476128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.476128 (E_RNA) where: Base-Base interactions energy: -142.971 where: short stacking energy: -64.288 Base-Backbone interact. energy: -0.022 local terms energy: -74.483446 where: bonds (distance) C4'-P energy: -14.915 bonds (distance) P-C4' energy: -16.508 flat angles C4'-P-C4' energy: -17.408 flat angles P-C4'-P energy: -10.290 tors. eta vs tors. theta energy: -15.363 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: 6, replica: 10 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -237.063123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.063123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.063123 (E_RNA) where: Base-Base interactions energy: -151.380 where: short stacking energy: -78.493 Base-Backbone interact. energy: -0.017 local terms energy: -85.665920 where: bonds (distance) C4'-P energy: -16.981 bonds (distance) P-C4' energy: -17.962 flat angles C4'-P-C4' energy: -20.656 flat angles P-C4'-P energy: -11.494 tors. eta vs tors. theta energy: -18.572 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: 2 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -206.333414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.333414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.333414 (E_RNA) where: Base-Base interactions energy: -144.958 where: short stacking energy: -67.407 Base-Backbone interact. energy: -0.616 local terms energy: -60.759633 where: bonds (distance) C4'-P energy: -12.527 bonds (distance) P-C4' energy: -14.607 flat angles C4'-P-C4' energy: -12.068 flat angles P-C4'-P energy: -9.813 tors. eta vs tors. theta energy: -11.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -166.186860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.186860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.186860 (E_RNA) where: Base-Base interactions energy: -112.493 where: short stacking energy: -61.056 Base-Backbone interact. energy: -0.231 local terms energy: -53.462662 where: bonds (distance) C4'-P energy: -9.950 bonds (distance) P-C4' energy: -14.770 flat angles C4'-P-C4' energy: -10.472 flat angles P-C4'-P energy: -5.919 tors. eta vs tors. theta energy: -12.352 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: 1 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -173.385482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.385482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.385482 (E_RNA) where: Base-Base interactions energy: -99.749 where: short stacking energy: -55.298 Base-Backbone interact. energy: -0.260 local terms energy: -73.376149 where: bonds (distance) C4'-P energy: -17.708 bonds (distance) P-C4' energy: -17.836 flat angles C4'-P-C4' energy: -14.685 flat angles P-C4'-P energy: -14.282 tors. eta vs tors. theta energy: -8.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -92.710323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.710323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.710323 (E_RNA) where: Base-Base interactions energy: -44.658 where: short stacking energy: -33.571 Base-Backbone interact. energy: -0.142 local terms energy: -47.911062 where: bonds (distance) C4'-P energy: -16.641 bonds (distance) P-C4' energy: -13.516 flat angles C4'-P-C4' energy: -8.105 flat angles P-C4'-P energy: -6.711 tors. eta vs tors. theta energy: -2.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -293.287476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.287476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.287476 (E_RNA) where: Base-Base interactions energy: -210.686 where: short stacking energy: -95.935 Base-Backbone interact. energy: -0.433 local terms energy: -82.168886 where: bonds (distance) C4'-P energy: -15.104 bonds (distance) P-C4' energy: -17.921 flat angles C4'-P-C4' energy: -18.012 flat angles P-C4'-P energy: -10.879 tors. eta vs tors. theta energy: -20.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -290.067618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.067618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.067618 (E_RNA) where: Base-Base interactions energy: -209.143 where: short stacking energy: -89.098 Base-Backbone interact. energy: -1.304 local terms energy: -79.620354 where: bonds (distance) C4'-P energy: -15.110 bonds (distance) P-C4' energy: -15.341 flat angles C4'-P-C4' energy: -15.397 flat angles P-C4'-P energy: -10.544 tors. eta vs tors. theta energy: -23.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -262.918877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.918877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.918877 (E_RNA) where: Base-Base interactions energy: -175.633 where: short stacking energy: -86.531 Base-Backbone interact. energy: -0.020 local terms energy: -87.265687 where: bonds (distance) C4'-P energy: -19.621 bonds (distance) P-C4' energy: -16.819 flat angles C4'-P-C4' energy: -15.543 flat angles P-C4'-P energy: -12.809 tors. eta vs tors. theta energy: -22.473 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: 4 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -242.855447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.855447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.855447 (E_RNA) where: Base-Base interactions energy: -161.758 where: short stacking energy: -87.186 Base-Backbone interact. energy: -0.132 local terms energy: -80.965559 where: bonds (distance) C4'-P energy: -17.253 bonds (distance) P-C4' energy: -17.101 flat angles C4'-P-C4' energy: -14.282 flat angles P-C4'-P energy: -9.814 tors. eta vs tors. theta energy: -22.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -230.401415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.401415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.401415 (E_RNA) where: Base-Base interactions energy: -157.596 where: short stacking energy: -77.684 Base-Backbone interact. energy: -0.324 local terms energy: -72.481252 where: bonds (distance) C4'-P energy: -10.889 bonds (distance) P-C4' energy: -17.859 flat angles C4'-P-C4' energy: -17.452 flat angles P-C4'-P energy: -9.080 tors. eta vs tors. theta energy: -17.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -216.555347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.555347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.555347 (E_RNA) where: Base-Base interactions energy: -149.754 where: short stacking energy: -67.157 Base-Backbone interact. energy: -0.033 local terms energy: -66.768971 where: bonds (distance) C4'-P energy: -13.979 bonds (distance) P-C4' energy: -15.007 flat angles C4'-P-C4' energy: -17.425 flat angles P-C4'-P energy: -7.679 tors. eta vs tors. theta energy: -12.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -208.740060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.740060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.740060 (E_RNA) where: Base-Base interactions energy: -141.506 where: short stacking energy: -68.598 Base-Backbone interact. energy: -0.002 local terms energy: -67.232198 where: bonds (distance) C4'-P energy: -10.333 bonds (distance) P-C4' energy: -14.938 flat angles C4'-P-C4' energy: -15.021 flat angles P-C4'-P energy: -11.756 tors. eta vs tors. theta energy: -15.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -171.967646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.967646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.967646 (E_RNA) where: Base-Base interactions energy: -109.874 where: short stacking energy: -63.022 Base-Backbone interact. energy: -0.129 local terms energy: -61.963749 where: bonds (distance) C4'-P energy: -14.517 bonds (distance) P-C4' energy: -12.926 flat angles C4'-P-C4' energy: -13.815 flat angles P-C4'-P energy: -8.695 tors. eta vs tors. theta energy: -12.011 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: 1 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -187.469404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.469404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.469404 (E_RNA) where: Base-Base interactions energy: -117.817 where: short stacking energy: -62.069 Base-Backbone interact. energy: -0.986 local terms energy: -68.665839 where: bonds (distance) C4'-P energy: -14.463 bonds (distance) P-C4' energy: -15.397 flat angles C4'-P-C4' energy: -17.169 flat angles P-C4'-P energy: -8.058 tors. eta vs tors. theta energy: -13.580 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: 10, replica: 5 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -97.002183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.002183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.002183 (E_RNA) where: Base-Base interactions energy: -48.421 where: short stacking energy: -36.459 Base-Backbone interact. energy: -0.226 local terms energy: -48.355067 where: bonds (distance) C4'-P energy: -13.135 bonds (distance) P-C4' energy: -12.347 flat angles C4'-P-C4' energy: -12.615 flat angles P-C4'-P energy: -9.978 tors. eta vs tors. theta energy: -0.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -291.774834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.774834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.774834 (E_RNA) where: Base-Base interactions energy: -204.639 where: short stacking energy: -80.365 Base-Backbone interact. energy: 0.157 local terms energy: -87.292971 where: bonds (distance) C4'-P energy: -18.590 bonds (distance) P-C4' energy: -17.830 flat angles C4'-P-C4' energy: -19.317 flat angles P-C4'-P energy: -11.613 tors. eta vs tors. theta energy: -19.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -291.335042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.335042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.335042 (E_RNA) where: Base-Base interactions energy: -207.509 where: short stacking energy: -94.316 Base-Backbone interact. energy: -2.826 local terms energy: -80.999669 where: bonds (distance) C4'-P energy: -12.649 bonds (distance) P-C4' energy: -18.376 flat angles C4'-P-C4' energy: -16.158 flat angles P-C4'-P energy: -11.397 tors. eta vs tors. theta energy: -22.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -253.493163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.493163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.493163 (E_RNA) where: Base-Base interactions energy: -171.000 where: short stacking energy: -85.609 Base-Backbone interact. energy: -0.027 local terms energy: -82.466234 where: bonds (distance) C4'-P energy: -16.488 bonds (distance) P-C4' energy: -16.736 flat angles C4'-P-C4' energy: -20.726 flat angles P-C4'-P energy: -10.295 tors. eta vs tors. theta energy: -18.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -234.547162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.547162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.547162 (E_RNA) where: Base-Base interactions energy: -152.160 where: short stacking energy: -76.291 Base-Backbone interact. energy: -0.028 local terms energy: -82.358646 where: bonds (distance) C4'-P energy: -17.916 bonds (distance) P-C4' energy: -16.913 flat angles C4'-P-C4' energy: -16.654 flat angles P-C4'-P energy: -11.926 tors. eta vs tors. theta energy: -18.951 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: 89 Temperature: 1.100000 Total energy: -231.823979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.823979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.823979 (E_RNA) where: Base-Base interactions energy: -152.095 where: short stacking energy: -74.901 Base-Backbone interact. energy: -0.090 local terms energy: -79.639403 where: bonds (distance) C4'-P energy: -16.114 bonds (distance) P-C4' energy: -18.594 flat angles C4'-P-C4' energy: -17.304 flat angles P-C4'-P energy: -8.482 tors. eta vs tors. theta energy: -19.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -225.023940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.023940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.023940 (E_RNA) where: Base-Base interactions energy: -152.348 where: short stacking energy: -73.165 Base-Backbone interact. energy: -0.577 local terms energy: -72.099581 where: bonds (distance) C4'-P energy: -17.752 bonds (distance) P-C4' energy: -12.905 flat angles C4'-P-C4' energy: -13.268 flat angles P-C4'-P energy: -12.677 tors. eta vs tors. theta energy: -15.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -217.103337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.103337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.103337 (E_RNA) where: Base-Base interactions energy: -144.230 where: short stacking energy: -66.722 Base-Backbone interact. energy: -0.575 local terms energy: -72.298720 where: bonds (distance) C4'-P energy: -13.684 bonds (distance) P-C4' energy: -14.885 flat angles C4'-P-C4' energy: -19.308 flat angles P-C4'-P energy: -10.751 tors. eta vs tors. theta energy: -13.672 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: 9 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -184.913192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.913192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.913192 (E_RNA) where: Base-Base interactions energy: -117.113 where: short stacking energy: -72.051 Base-Backbone interact. energy: 0.373 local terms energy: -68.173487 where: bonds (distance) C4'-P energy: -15.685 bonds (distance) P-C4' energy: -15.355 flat angles C4'-P-C4' energy: -14.757 flat angles P-C4'-P energy: -7.707 tors. eta vs tors. theta energy: -14.670 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: 9, replica: 1 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -154.712145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.712145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.712145 (E_RNA) where: Base-Base interactions energy: -97.029 where: short stacking energy: -35.555 Base-Backbone interact. energy: -1.053 local terms energy: -56.629765 where: bonds (distance) C4'-P energy: -13.191 bonds (distance) P-C4' energy: -16.372 flat angles C4'-P-C4' energy: -10.250 flat angles P-C4'-P energy: -14.376 tors. eta vs tors. theta energy: -2.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -107.307040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.307040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.307040 (E_RNA) where: Base-Base interactions energy: -43.296 where: short stacking energy: -38.257 Base-Backbone interact. energy: -0.161 local terms energy: -63.850427 where: bonds (distance) C4'-P energy: -16.347 bonds (distance) P-C4' energy: -19.390 flat angles C4'-P-C4' energy: -13.378 flat angles P-C4'-P energy: -7.001 tors. eta vs tors. theta energy: -7.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -298.955507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.955507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.955507 (E_RNA) where: Base-Base interactions energy: -210.515 where: short stacking energy: -94.314 Base-Backbone interact. energy: -0.508 local terms energy: -87.932366 where: bonds (distance) C4'-P energy: -16.838 bonds (distance) P-C4' energy: -16.240 flat angles C4'-P-C4' energy: -19.573 flat angles P-C4'-P energy: -11.350 tors. eta vs tors. theta energy: -23.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -277.186599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.186599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.186599 (E_RNA) where: Base-Base interactions energy: -195.634 where: short stacking energy: -87.470 Base-Backbone interact. energy: -1.294 local terms energy: -80.258543 where: bonds (distance) C4'-P energy: -17.644 bonds (distance) P-C4' energy: -17.741 flat angles C4'-P-C4' energy: -16.902 flat angles P-C4'-P energy: -9.916 tors. eta vs tors. theta energy: -18.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -247.500584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.500584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.500584 (E_RNA) where: Base-Base interactions energy: -168.704 where: short stacking energy: -85.905 Base-Backbone interact. energy: -0.132 local terms energy: -78.664433 where: bonds (distance) C4'-P energy: -17.010 bonds (distance) P-C4' energy: -19.500 flat angles C4'-P-C4' energy: -16.782 flat angles P-C4'-P energy: -8.945 tors. eta vs tors. theta energy: -16.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -252.196879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.196879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.196879 (E_RNA) where: Base-Base interactions energy: -172.927 where: short stacking energy: -91.797 Base-Backbone interact. energy: -0.124 local terms energy: -79.146385 where: bonds (distance) C4'-P energy: -16.344 bonds (distance) P-C4' energy: -10.419 flat angles C4'-P-C4' energy: -18.775 flat angles P-C4'-P energy: -11.658 tors. eta vs tors. theta energy: -21.950 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: 5, replica: 2 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -235.496292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.496292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.496292 (E_RNA) where: Base-Base interactions energy: -161.981 where: short stacking energy: -81.810 Base-Backbone interact. energy: -0.018 local terms energy: -73.496638 where: bonds (distance) C4'-P energy: -6.255 bonds (distance) P-C4' energy: -18.971 flat angles C4'-P-C4' energy: -16.253 flat angles P-C4'-P energy: -9.228 tors. eta vs tors. theta energy: -22.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -225.901880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.901880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.901880 (E_RNA) where: Base-Base interactions energy: -154.658 where: short stacking energy: -79.199 Base-Backbone interact. energy: -0.302 local terms energy: -70.941864 where: bonds (distance) C4'-P energy: -14.898 bonds (distance) P-C4' energy: -14.009 flat angles C4'-P-C4' energy: -16.640 flat angles P-C4'-P energy: -7.147 tors. eta vs tors. theta energy: -18.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -221.923543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.923543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.923543 (E_RNA) where: Base-Base interactions energy: -144.336 where: short stacking energy: -68.338 Base-Backbone interact. energy: -0.053 local terms energy: -77.534095 where: bonds (distance) C4'-P energy: -15.396 bonds (distance) P-C4' energy: -18.640 flat angles C4'-P-C4' energy: -15.253 flat angles P-C4'-P energy: -12.573 tors. eta vs tors. theta energy: -15.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -178.727475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.727475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.727475 (E_RNA) where: Base-Base interactions energy: -112.701 where: short stacking energy: -60.837 Base-Backbone interact. energy: -0.020 local terms energy: -66.006839 where: bonds (distance) C4'-P energy: -14.550 bonds (distance) P-C4' energy: -11.086 flat angles C4'-P-C4' energy: -15.026 flat angles P-C4'-P energy: -10.316 tors. eta vs tors. theta energy: -15.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -160.720820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.720820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.720820 (E_RNA) where: Base-Base interactions energy: -96.987 where: short stacking energy: -42.117 Base-Backbone interact. energy: -1.461 local terms energy: -62.273173 where: bonds (distance) C4'-P energy: -15.509 bonds (distance) P-C4' energy: -15.276 flat angles C4'-P-C4' energy: -12.298 flat angles P-C4'-P energy: -12.455 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: 10, replica: 5 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -109.435055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.435055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.435055 (E_RNA) where: Base-Base interactions energy: -56.433 where: short stacking energy: -39.566 Base-Backbone interact. energy: -0.061 local terms energy: -52.941022 where: bonds (distance) C4'-P energy: -9.114 bonds (distance) P-C4' energy: -17.166 flat angles C4'-P-C4' energy: -10.707 flat angles P-C4'-P energy: -9.024 tors. eta vs tors. theta energy: -6.930 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: 3 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -291.315541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.315541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.315541 (E_RNA) where: Base-Base interactions energy: -205.773 where: short stacking energy: -98.614 Base-Backbone interact. energy: 0.110 local terms energy: -85.652955 where: bonds (distance) C4'-P energy: -18.437 bonds (distance) P-C4' energy: -18.186 flat angles C4'-P-C4' energy: -17.116 flat angles P-C4'-P energy: -6.155 tors. eta vs tors. theta energy: -25.758 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: 10 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -262.002666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.002666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.002666 (E_RNA) where: Base-Base interactions energy: -177.840 where: short stacking energy: -91.516 Base-Backbone interact. energy: -0.249 local terms energy: -83.913643 where: bonds (distance) C4'-P energy: -17.498 bonds (distance) P-C4' energy: -17.225 flat angles C4'-P-C4' energy: -18.913 flat angles P-C4'-P energy: -9.588 tors. eta vs tors. theta energy: -20.689 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: 7 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -274.265030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.265030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.265030 (E_RNA) where: Base-Base interactions energy: -189.558 where: short stacking energy: -88.299 Base-Backbone interact. energy: -0.615 local terms energy: -84.091736 where: bonds (distance) C4'-P energy: -15.853 bonds (distance) P-C4' energy: -19.492 flat angles C4'-P-C4' energy: -18.096 flat angles P-C4'-P energy: -8.713 tors. eta vs tors. theta energy: -21.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -245.898664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.898664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.898664 (E_RNA) where: Base-Base interactions energy: -174.270 where: short stacking energy: -95.337 Base-Backbone interact. energy: -0.627 local terms energy: -71.001198 where: bonds (distance) C4'-P energy: -13.003 bonds (distance) P-C4' energy: -16.269 flat angles C4'-P-C4' energy: -11.000 flat angles P-C4'-P energy: -9.208 tors. eta vs tors. theta energy: -21.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -236.139081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.139081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.139081 (E_RNA) where: Base-Base interactions energy: -157.311 where: short stacking energy: -81.697 Base-Backbone interact. energy: -0.158 local terms energy: -78.669558 where: bonds (distance) C4'-P energy: -17.908 bonds (distance) P-C4' energy: -19.259 flat angles C4'-P-C4' energy: -17.302 flat angles P-C4'-P energy: -6.895 tors. eta vs tors. theta energy: -17.306 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: 8 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -222.439967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.439967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.439967 (E_RNA) where: Base-Base interactions energy: -152.192 where: short stacking energy: -68.982 Base-Backbone interact. energy: -0.982 local terms energy: -69.266564 where: bonds (distance) C4'-P energy: -12.604 bonds (distance) P-C4' energy: -18.407 flat angles C4'-P-C4' energy: -12.975 flat angles P-C4'-P energy: -8.696 tors. eta vs tors. theta energy: -16.583 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: 4 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -229.807527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.807527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.807527 (E_RNA) where: Base-Base interactions energy: -162.238 where: short stacking energy: -87.517 Base-Backbone interact. energy: -0.564 local terms energy: -67.005643 where: bonds (distance) C4'-P energy: -13.520 bonds (distance) P-C4' energy: -10.477 flat angles C4'-P-C4' energy: -16.517 flat angles P-C4'-P energy: -6.916 tors. eta vs tors. theta energy: -19.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -175.968861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.968861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.968861 (E_RNA) where: Base-Base interactions energy: -111.350 where: short stacking energy: -56.721 Base-Backbone interact. energy: -0.357 local terms energy: -64.262189 where: bonds (distance) C4'-P energy: -16.969 bonds (distance) P-C4' energy: -14.155 flat angles C4'-P-C4' energy: -18.418 flat angles P-C4'-P energy: -4.819 tors. eta vs tors. theta energy: -9.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -178.785086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.785086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.785086 (E_RNA) where: Base-Base interactions energy: -110.651 where: short stacking energy: -67.238 Base-Backbone interact. energy: 0.696 local terms energy: -68.829905 where: bonds (distance) C4'-P energy: -16.127 bonds (distance) P-C4' energy: -18.745 flat angles C4'-P-C4' energy: -9.121 flat angles P-C4'-P energy: -13.660 tors. eta vs tors. theta energy: -11.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -141.646362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.646362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.646362 (E_RNA) where: Base-Base interactions energy: -92.129 where: short stacking energy: -48.468 Base-Backbone interact. energy: -0.146 local terms energy: -49.370556 where: bonds (distance) C4'-P energy: -14.574 bonds (distance) P-C4' energy: -15.445 flat angles C4'-P-C4' energy: -4.794 flat angles P-C4'-P energy: -6.464 tors. eta vs tors. theta energy: -8.093 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: 3 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -303.663043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.663043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.663043 (E_RNA) where: Base-Base interactions energy: -211.905 where: short stacking energy: -92.528 Base-Backbone interact. energy: -2.802 local terms energy: -88.956133 where: bonds (distance) C4'-P energy: -15.053 bonds (distance) P-C4' energy: -18.231 flat angles C4'-P-C4' energy: -20.537 flat angles P-C4'-P energy: -10.584 tors. eta vs tors. theta energy: -24.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -262.881796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.881796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.881796 (E_RNA) where: Base-Base interactions energy: -173.384 where: short stacking energy: -84.483 Base-Backbone interact. energy: -0.366 local terms energy: -89.132106 where: bonds (distance) C4'-P energy: -19.423 bonds (distance) P-C4' energy: -20.252 flat angles C4'-P-C4' energy: -18.534 flat angles P-C4'-P energy: -8.102 tors. eta vs tors. theta energy: -22.822 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: 3, replica: 7 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -279.647498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.647498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.647498 (E_RNA) where: Base-Base interactions energy: -197.631 where: short stacking energy: -85.499 Base-Backbone interact. energy: -0.704 local terms energy: -81.312540 where: bonds (distance) C4'-P energy: -12.534 bonds (distance) P-C4' energy: -16.693 flat angles C4'-P-C4' energy: -18.537 flat angles P-C4'-P energy: -13.810 tors. eta vs tors. theta energy: -19.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -239.804530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.804530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.804530 (E_RNA) where: Base-Base interactions energy: -158.817 where: short stacking energy: -83.181 Base-Backbone interact. energy: -0.434 local terms energy: -80.552832 where: bonds (distance) C4'-P energy: -19.000 bonds (distance) P-C4' energy: -17.215 flat angles C4'-P-C4' energy: -18.088 flat angles P-C4'-P energy: -5.939 tors. eta vs tors. theta energy: -20.310 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: 8 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -231.014504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.014504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.014504 (E_RNA) where: Base-Base interactions energy: -156.037 where: short stacking energy: -83.613 Base-Backbone interact. energy: -0.542 local terms energy: -74.436053 where: bonds (distance) C4'-P energy: -17.513 bonds (distance) P-C4' energy: -12.425 flat angles C4'-P-C4' energy: -12.374 flat angles P-C4'-P energy: -12.160 tors. eta vs tors. theta energy: -19.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -215.417370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.417370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.417370 (E_RNA) where: Base-Base interactions energy: -147.042 where: short stacking energy: -75.024 Base-Backbone interact. energy: -0.110 local terms energy: -68.264720 where: bonds (distance) C4'-P energy: -13.465 bonds (distance) P-C4' energy: -17.543 flat angles C4'-P-C4' energy: -13.675 flat angles P-C4'-P energy: -8.079 tors. eta vs tors. theta energy: -15.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -221.407576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.407576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.407576 (E_RNA) where: Base-Base interactions energy: -146.538 where: short stacking energy: -65.045 Base-Backbone interact. energy: -0.054 local terms energy: -74.815765 where: bonds (distance) C4'-P energy: -17.762 bonds (distance) P-C4' energy: -17.191 flat angles C4'-P-C4' energy: -13.859 flat angles P-C4'-P energy: -4.652 tors. eta vs tors. theta energy: -21.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -183.269049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.269049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.269049 (E_RNA) where: Base-Base interactions energy: -113.445 where: short stacking energy: -67.014 Base-Backbone interact. energy: -0.481 local terms energy: -69.343302 where: bonds (distance) C4'-P energy: -13.598 bonds (distance) P-C4' energy: -16.284 flat angles C4'-P-C4' energy: -15.981 flat angles P-C4'-P energy: -9.199 tors. eta vs tors. theta energy: -14.282 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: 9 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -161.458492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.458492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.458492 (E_RNA) where: Base-Base interactions energy: -107.608 where: short stacking energy: -54.777 Base-Backbone interact. energy: -0.191 local terms energy: -53.659392 where: bonds (distance) C4'-P energy: -14.660 bonds (distance) P-C4' energy: -11.457 flat angles C4'-P-C4' energy: -8.231 flat angles P-C4'-P energy: -13.829 tors. eta vs tors. theta energy: -5.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -147.249051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.249051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.249051 (E_RNA) where: Base-Base interactions energy: -99.797 where: short stacking energy: -48.274 Base-Backbone interact. energy: -1.338 local terms energy: -46.114513 where: bonds (distance) C4'-P energy: -9.566 bonds (distance) P-C4' energy: -12.734 flat angles C4'-P-C4' energy: -14.035 flat angles P-C4'-P energy: -2.648 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: 1, replica: 3 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -298.680913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.680913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.680913 (E_RNA) where: Base-Base interactions energy: -207.453 where: short stacking energy: -93.840 Base-Backbone interact. energy: -1.615 local terms energy: -89.612108 where: bonds (distance) C4'-P energy: -16.938 bonds (distance) P-C4' energy: -20.662 flat angles C4'-P-C4' energy: -18.439 flat angles P-C4'-P energy: -8.694 tors. eta vs tors. theta energy: -24.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -280.234040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.234040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.234040 (E_RNA) where: Base-Base interactions energy: -205.785 where: short stacking energy: -80.297 Base-Backbone interact. energy: -0.151 local terms energy: -74.298442 where: bonds (distance) C4'-P energy: -12.787 bonds (distance) P-C4' energy: -17.355 flat angles C4'-P-C4' energy: -15.540 flat angles P-C4'-P energy: -9.641 tors. eta vs tors. theta energy: -18.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -268.775191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.775191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.775191 (E_RNA) where: Base-Base interactions energy: -183.726 where: short stacking energy: -98.496 Base-Backbone interact. energy: -0.040 local terms energy: -85.008582 where: bonds (distance) C4'-P energy: -15.377 bonds (distance) P-C4' energy: -17.024 flat angles C4'-P-C4' energy: -17.175 flat angles P-C4'-P energy: -11.360 tors. eta vs tors. theta energy: -24.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -247.575403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.575403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.575403 (E_RNA) where: Base-Base interactions energy: -164.355 where: short stacking energy: -84.672 Base-Backbone interact. energy: -0.527 local terms energy: -82.692849 where: bonds (distance) C4'-P energy: -15.891 bonds (distance) P-C4' energy: -20.208 flat angles C4'-P-C4' energy: -17.878 flat angles P-C4'-P energy: -9.290 tors. eta vs tors. theta energy: -19.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -230.634337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.634337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.634337 (E_RNA) where: Base-Base interactions energy: -151.251 where: short stacking energy: -65.740 Base-Backbone interact. energy: -0.657 local terms energy: -78.725764 where: bonds (distance) C4'-P energy: -18.811 bonds (distance) P-C4' energy: -19.091 flat angles C4'-P-C4' energy: -16.934 flat angles P-C4'-P energy: -8.979 tors. eta vs tors. theta energy: -14.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -214.154618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.154618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.154618 (E_RNA) where: Base-Base interactions energy: -141.024 where: short stacking energy: -65.868 Base-Backbone interact. energy: -0.513 local terms energy: -72.617729 where: bonds (distance) C4'-P energy: -18.298 bonds (distance) P-C4' energy: -17.632 flat angles C4'-P-C4' energy: -15.158 flat angles P-C4'-P energy: -12.624 tors. eta vs tors. theta energy: -8.906 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: 7, replica: 2 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -208.696356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.696356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.696356 (E_RNA) where: Base-Base interactions energy: -139.819 where: short stacking energy: -59.802 Base-Backbone interact. energy: -0.124 local terms energy: -68.753358 where: bonds (distance) C4'-P energy: -13.539 bonds (distance) P-C4' energy: -13.271 flat angles C4'-P-C4' energy: -18.986 flat angles P-C4'-P energy: -9.488 tors. eta vs tors. theta energy: -13.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -186.735697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.735697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.735697 (E_RNA) where: Base-Base interactions energy: -117.585 where: short stacking energy: -58.491 Base-Backbone interact. energy: -0.846 local terms energy: -68.305035 where: bonds (distance) C4'-P energy: -12.683 bonds (distance) P-C4' energy: -17.046 flat angles C4'-P-C4' energy: -16.195 flat angles P-C4'-P energy: -8.221 tors. eta vs tors. theta energy: -14.161 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: 9 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -164.842379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.842379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.842379 (E_RNA) where: Base-Base interactions energy: -102.725 where: short stacking energy: -54.258 Base-Backbone interact. energy: -0.234 local terms energy: -61.882998 where: bonds (distance) C4'-P energy: -16.939 bonds (distance) P-C4' energy: -16.825 flat angles C4'-P-C4' energy: -12.326 flat angles P-C4'-P energy: -8.905 tors. eta vs tors. theta energy: -6.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -170.762280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.762280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.762280 (E_RNA) where: Base-Base interactions energy: -114.202 where: short stacking energy: -53.737 Base-Backbone interact. energy: -0.345 local terms energy: -56.215569 where: bonds (distance) C4'-P energy: -14.111 bonds (distance) P-C4' energy: -10.486 flat angles C4'-P-C4' energy: -13.767 flat angles P-C4'-P energy: -6.532 tors. eta vs tors. theta energy: -11.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -290.945037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.945037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.945037 (E_RNA) where: Base-Base interactions energy: -203.061 where: short stacking energy: -91.597 Base-Backbone interact. energy: -1.807 local terms energy: -86.077050 where: bonds (distance) C4'-P energy: -15.614 bonds (distance) P-C4' energy: -17.305 flat angles C4'-P-C4' energy: -17.889 flat angles P-C4'-P energy: -11.997 tors. eta vs tors. theta energy: -23.272 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: 2, replica: 7 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -284.125421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.125421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.125421 (E_RNA) where: Base-Base interactions energy: -201.075 where: short stacking energy: -91.949 Base-Backbone interact. energy: -1.023 local terms energy: -82.027604 where: bonds (distance) C4'-P energy: -15.817 bonds (distance) P-C4' energy: -18.672 flat angles C4'-P-C4' energy: -15.973 flat angles P-C4'-P energy: -10.434 tors. eta vs tors. theta energy: -21.132 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: 94 Temperature: 1.000000 Total energy: -254.429604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.429604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.429604 (E_RNA) where: Base-Base interactions energy: -172.468 where: short stacking energy: -77.034 Base-Backbone interact. energy: -2.530 local terms energy: -79.431668 where: bonds (distance) C4'-P energy: -18.582 bonds (distance) P-C4' energy: -8.840 flat angles C4'-P-C4' energy: -18.373 flat angles P-C4'-P energy: -9.585 tors. eta vs tors. theta energy: -24.051 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: 4, replica: 8 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -234.903567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.903567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.903567 (E_RNA) where: Base-Base interactions energy: -154.415 where: short stacking energy: -67.450 Base-Backbone interact. energy: 0.645 local terms energy: -81.133139 where: bonds (distance) C4'-P energy: -19.522 bonds (distance) P-C4' energy: -19.951 flat angles C4'-P-C4' energy: -15.225 flat angles P-C4'-P energy: -9.407 tors. eta vs tors. theta energy: -17.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -235.163270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.163270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.163270 (E_RNA) where: Base-Base interactions energy: -156.475 where: short stacking energy: -76.506 Base-Backbone interact. energy: -1.341 local terms energy: -77.347474 where: bonds (distance) C4'-P energy: -15.560 bonds (distance) P-C4' energy: -16.932 flat angles C4'-P-C4' energy: -16.627 flat angles P-C4'-P energy: -10.886 tors. eta vs tors. theta energy: -17.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -232.089115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.089115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.089115 (E_RNA) where: Base-Base interactions energy: -154.504 where: short stacking energy: -75.727 Base-Backbone interact. energy: -0.220 local terms energy: -77.365362 where: bonds (distance) C4'-P energy: -14.476 bonds (distance) P-C4' energy: -18.981 flat angles C4'-P-C4' energy: -16.294 flat angles P-C4'-P energy: -9.021 tors. eta vs tors. theta energy: -18.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -233.911908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.911908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.911908 (E_RNA) where: Base-Base interactions energy: -155.933 where: short stacking energy: -74.819 Base-Backbone interact. energy: -0.377 local terms energy: -77.601192 where: bonds (distance) C4'-P energy: -11.221 bonds (distance) P-C4' energy: -17.539 flat angles C4'-P-C4' energy: -21.002 flat angles P-C4'-P energy: -10.986 tors. eta vs tors. theta energy: -16.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -176.010760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.010760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.010760 (E_RNA) where: Base-Base interactions energy: -114.110 where: short stacking energy: -63.872 Base-Backbone interact. energy: -0.480 local terms energy: -61.420312 where: bonds (distance) C4'-P energy: -14.696 bonds (distance) P-C4' energy: -17.784 flat angles C4'-P-C4' energy: -12.448 flat angles P-C4'-P energy: -4.140 tors. eta vs tors. theta energy: -12.352 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: 5 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -155.302700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.302700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.302700 (E_RNA) where: Base-Base interactions energy: -92.878 where: short stacking energy: -50.792 Base-Backbone interact. energy: -1.047 local terms energy: -61.377739 where: bonds (distance) C4'-P energy: -13.627 bonds (distance) P-C4' energy: -12.496 flat angles C4'-P-C4' energy: -15.282 flat angles P-C4'-P energy: -7.074 tors. eta vs tors. theta energy: -12.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -146.415423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.415423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.415423 (E_RNA) where: Base-Base interactions energy: -94.047 where: short stacking energy: -44.806 Base-Backbone interact. energy: 0.845 local terms energy: -53.212532 where: bonds (distance) C4'-P energy: -11.616 bonds (distance) P-C4' energy: -17.760 flat angles C4'-P-C4' energy: -8.519 flat angles P-C4'-P energy: -8.974 tors. eta vs tors. theta energy: -6.344 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: 3 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -285.461285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.461285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.461285 (E_RNA) where: Base-Base interactions energy: -200.574 where: short stacking energy: -92.639 Base-Backbone interact. energy: 2.477 local terms energy: -87.364493 where: bonds (distance) C4'-P energy: -14.380 bonds (distance) P-C4' energy: -21.318 flat angles C4'-P-C4' energy: -18.973 flat angles P-C4'-P energy: -12.642 tors. eta vs tors. theta energy: -20.051 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: 7 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -286.912753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.912753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.912753 (E_RNA) where: Base-Base interactions energy: -203.120 where: short stacking energy: -82.607 Base-Backbone interact. energy: -1.281 local terms energy: -82.511723 where: bonds (distance) C4'-P energy: -11.743 bonds (distance) P-C4' energy: -20.300 flat angles C4'-P-C4' energy: -17.837 flat angles P-C4'-P energy: -11.959 tors. eta vs tors. theta energy: -20.673 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: 10 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -249.514429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.514429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.514429 (E_RNA) where: Base-Base interactions energy: -168.308 where: short stacking energy: -73.678 Base-Backbone interact. energy: -0.615 local terms energy: -80.591574 where: bonds (distance) C4'-P energy: -14.210 bonds (distance) P-C4' energy: -17.436 flat angles C4'-P-C4' energy: -18.718 flat angles P-C4'-P energy: -11.420 tors. eta vs tors. theta energy: -18.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -256.593785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.593785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.593785 (E_RNA) where: Base-Base interactions energy: -174.336 where: short stacking energy: -89.217 Base-Backbone interact. energy: -0.156 local terms energy: -82.101569 where: bonds (distance) C4'-P energy: -17.114 bonds (distance) P-C4' energy: -17.142 flat angles C4'-P-C4' energy: -20.132 flat angles P-C4'-P energy: -6.234 tors. eta vs tors. theta energy: -21.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -230.905259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.905259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.905259 (E_RNA) where: Base-Base interactions energy: -161.374 where: short stacking energy: -82.072 Base-Backbone interact. energy: -0.530 local terms energy: -69.000972 where: bonds (distance) C4'-P energy: -15.108 bonds (distance) P-C4' energy: -15.658 flat angles C4'-P-C4' energy: -15.514 flat angles P-C4'-P energy: -6.576 tors. eta vs tors. theta energy: -16.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -237.890493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.890493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.890493 (E_RNA) where: Base-Base interactions energy: -165.203 where: short stacking energy: -74.522 Base-Backbone interact. energy: -0.792 local terms energy: -71.895765 where: bonds (distance) C4'-P energy: -11.790 bonds (distance) P-C4' energy: -16.632 flat angles C4'-P-C4' energy: -16.138 flat angles P-C4'-P energy: -10.522 tors. eta vs tors. theta energy: -16.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -218.122192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.122192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.122192 (E_RNA) where: Base-Base interactions energy: -138.741 where: short stacking energy: -64.849 Base-Backbone interact. energy: -0.416 local terms energy: -78.964647 where: bonds (distance) C4'-P energy: -13.511 bonds (distance) P-C4' energy: -18.628 flat angles C4'-P-C4' energy: -17.502 flat angles P-C4'-P energy: -13.054 tors. eta vs tors. theta energy: -16.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -187.122695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.122695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.122695 (E_RNA) where: Base-Base interactions energy: -120.426 where: short stacking energy: -63.509 Base-Backbone interact. energy: 1.054 local terms energy: -67.750494 where: bonds (distance) C4'-P energy: -12.945 bonds (distance) P-C4' energy: -13.114 flat angles C4'-P-C4' energy: -17.026 flat angles P-C4'-P energy: -10.451 tors. eta vs tors. theta energy: -14.214 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: 9, replica: 1 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -154.638583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.638583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.638583 (E_RNA) where: Base-Base interactions energy: -95.118 where: short stacking energy: -40.527 Base-Backbone interact. energy: -0.333 local terms energy: -59.187403 where: bonds (distance) C4'-P energy: -14.095 bonds (distance) P-C4' energy: -16.720 flat angles C4'-P-C4' energy: -13.633 flat angles P-C4'-P energy: -9.640 tors. eta vs tors. theta energy: -5.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -146.830512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.830512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.830512 (E_RNA) where: Base-Base interactions energy: -88.969 where: short stacking energy: -50.281 Base-Backbone interact. energy: -0.109 local terms energy: -57.752558 where: bonds (distance) C4'-P energy: -11.694 bonds (distance) P-C4' energy: -16.057 flat angles C4'-P-C4' energy: -12.867 flat angles P-C4'-P energy: -8.758 tors. eta vs tors. theta energy: -8.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -283.706710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.706710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.706710 (E_RNA) where: Base-Base interactions energy: -195.737 where: short stacking energy: -84.292 Base-Backbone interact. energy: -0.400 local terms energy: -87.569281 where: bonds (distance) C4'-P energy: -19.018 bonds (distance) P-C4' energy: -19.008 flat angles C4'-P-C4' energy: -15.431 flat angles P-C4'-P energy: -13.019 tors. eta vs tors. theta energy: -21.094 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: 3 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -272.765214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.765214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.765214 (E_RNA) where: Base-Base interactions energy: -194.132 where: short stacking energy: -85.938 Base-Backbone interact. energy: -0.545 local terms energy: -78.088375 where: bonds (distance) C4'-P energy: -15.986 bonds (distance) P-C4' energy: -15.504 flat angles C4'-P-C4' energy: -17.579 flat angles P-C4'-P energy: -10.898 tors. eta vs tors. theta energy: -18.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -245.581655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.581655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.581655 (E_RNA) where: Base-Base interactions energy: -161.460 where: short stacking energy: -84.683 Base-Backbone interact. energy: 0.137 local terms energy: -84.258051 where: bonds (distance) C4'-P energy: -13.561 bonds (distance) P-C4' energy: -17.660 flat angles C4'-P-C4' energy: -19.881 flat angles P-C4'-P energy: -12.428 tors. eta vs tors. theta energy: -20.729 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: 4 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -242.158038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.158038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.158038 (E_RNA) where: Base-Base interactions energy: -169.165 where: short stacking energy: -81.237 Base-Backbone interact. energy: -1.180 local terms energy: -71.813308 where: bonds (distance) C4'-P energy: -15.161 bonds (distance) P-C4' energy: -12.975 flat angles C4'-P-C4' energy: -17.120 flat angles P-C4'-P energy: -7.973 tors. eta vs tors. theta energy: -18.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -229.593960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.593960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.593960 (E_RNA) where: Base-Base interactions energy: -155.640 where: short stacking energy: -83.077 Base-Backbone interact. energy: -0.015 local terms energy: -73.939058 where: bonds (distance) C4'-P energy: -16.060 bonds (distance) P-C4' energy: -12.669 flat angles C4'-P-C4' energy: -14.424 flat angles P-C4'-P energy: -12.957 tors. eta vs tors. theta energy: -17.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -232.119875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.119875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.119875 (E_RNA) where: Base-Base interactions energy: -156.122 where: short stacking energy: -78.733 Base-Backbone interact. energy: -0.100 local terms energy: -75.897828 where: bonds (distance) C4'-P energy: -12.883 bonds (distance) P-C4' energy: -17.072 flat angles C4'-P-C4' energy: -16.355 flat angles P-C4'-P energy: -8.425 tors. eta vs tors. theta energy: -21.163 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: 2 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -220.527288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.527288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.527288 (E_RNA) where: Base-Base interactions energy: -146.054 where: short stacking energy: -69.769 Base-Backbone interact. energy: -0.632 local terms energy: -73.841585 where: bonds (distance) C4'-P energy: -13.542 bonds (distance) P-C4' energy: -15.320 flat angles C4'-P-C4' energy: -16.152 flat angles P-C4'-P energy: -13.184 tors. eta vs tors. theta energy: -15.644 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: 5 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -192.835238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.835238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.835238 (E_RNA) where: Base-Base interactions energy: -126.657 where: short stacking energy: -56.242 Base-Backbone interact. energy: -0.959 local terms energy: -65.218880 where: bonds (distance) C4'-P energy: -16.066 bonds (distance) P-C4' energy: -14.144 flat angles C4'-P-C4' energy: -14.309 flat angles P-C4'-P energy: -10.005 tors. eta vs tors. theta energy: -10.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -159.745370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.745370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.745370 (E_RNA) where: Base-Base interactions energy: -87.367 where: short stacking energy: -45.166 Base-Backbone interact. energy: -0.297 local terms energy: -72.081192 where: bonds (distance) C4'-P energy: -17.365 bonds (distance) P-C4' energy: -17.724 flat angles C4'-P-C4' energy: -13.835 flat angles P-C4'-P energy: -9.526 tors. eta vs tors. theta energy: -13.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -170.926943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.926943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.926943 (E_RNA) where: Base-Base interactions energy: -102.923 where: short stacking energy: -62.616 Base-Backbone interact. energy: -0.053 local terms energy: -67.951200 where: bonds (distance) C4'-P energy: -14.062 bonds (distance) P-C4' energy: -16.685 flat angles C4'-P-C4' energy: -12.963 flat angles P-C4'-P energy: -11.888 tors. eta vs tors. theta energy: -12.353 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: 7 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -285.560208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.560208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.560208 (E_RNA) where: Base-Base interactions energy: -203.877 where: short stacking energy: -84.979 Base-Backbone interact. energy: -0.811 local terms energy: -80.872140 where: bonds (distance) C4'-P energy: -19.316 bonds (distance) P-C4' energy: -15.467 flat angles C4'-P-C4' energy: -18.438 flat angles P-C4'-P energy: -9.519 tors. eta vs tors. theta energy: -18.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -255.813828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.813828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.813828 (E_RNA) where: Base-Base interactions energy: -167.988 where: short stacking energy: -83.957 Base-Backbone interact. energy: -0.032 local terms energy: -87.794314 where: bonds (distance) C4'-P energy: -16.601 bonds (distance) P-C4' energy: -20.383 flat angles C4'-P-C4' energy: -18.217 flat angles P-C4'-P energy: -10.659 tors. eta vs tors. theta energy: -21.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -281.320532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.320532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.320532 (E_RNA) where: Base-Base interactions energy: -201.158 where: short stacking energy: -91.553 Base-Backbone interact. energy: -0.374 local terms energy: -79.788383 where: bonds (distance) C4'-P energy: -14.481 bonds (distance) P-C4' energy: -19.013 flat angles C4'-P-C4' energy: -17.430 flat angles P-C4'-P energy: -6.828 tors. eta vs tors. theta energy: -22.037 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: 8 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -232.464919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.464919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.464919 (E_RNA) where: Base-Base interactions energy: -157.291 where: short stacking energy: -78.557 Base-Backbone interact. energy: -0.005 local terms energy: -75.169437 where: bonds (distance) C4'-P energy: -16.676 bonds (distance) P-C4' energy: -16.388 flat angles C4'-P-C4' energy: -19.090 flat angles P-C4'-P energy: -7.957 tors. eta vs tors. theta energy: -15.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -255.097504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.097504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.097504 (E_RNA) where: Base-Base interactions energy: -167.955 where: short stacking energy: -83.749 Base-Backbone interact. energy: 0.004 local terms energy: -87.146454 where: bonds (distance) C4'-P energy: -19.716 bonds (distance) P-C4' energy: -18.219 flat angles C4'-P-C4' energy: -15.446 flat angles P-C4'-P energy: -12.519 tors. eta vs tors. theta energy: -21.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -235.362336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.362336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.362336 (E_RNA) where: Base-Base interactions energy: -160.995 where: short stacking energy: -79.649 Base-Backbone interact. energy: -1.002 local terms energy: -73.364899 where: bonds (distance) C4'-P energy: -14.785 bonds (distance) P-C4' energy: -16.890 flat angles C4'-P-C4' energy: -15.245 flat angles P-C4'-P energy: -9.546 tors. eta vs tors. theta energy: -16.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -229.755473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.755473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.755473 (E_RNA) where: Base-Base interactions energy: -155.781 where: short stacking energy: -73.369 Base-Backbone interact. energy: 0.518 local terms energy: -74.492756 where: bonds (distance) C4'-P energy: -14.698 bonds (distance) P-C4' energy: -18.386 flat angles C4'-P-C4' energy: -15.929 flat angles P-C4'-P energy: -8.986 tors. eta vs tors. theta energy: -16.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -200.622445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.622445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.622445 (E_RNA) where: Base-Base interactions energy: -137.559 where: short stacking energy: -62.890 Base-Backbone interact. energy: -0.170 local terms energy: -62.892793 where: bonds (distance) C4'-P energy: -12.778 bonds (distance) P-C4' energy: -15.688 flat angles C4'-P-C4' energy: -12.096 flat angles P-C4'-P energy: -9.112 tors. eta vs tors. theta energy: -13.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -169.656230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.656230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.656230 (E_RNA) where: Base-Base interactions energy: -112.231 where: short stacking energy: -55.752 Base-Backbone interact. energy: -0.998 local terms energy: -56.427498 where: bonds (distance) C4'-P energy: -9.052 bonds (distance) P-C4' energy: -15.416 flat angles C4'-P-C4' energy: -10.544 flat angles P-C4'-P energy: -8.940 tors. eta vs tors. theta energy: -12.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -153.836885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.836885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.836885 (E_RNA) where: Base-Base interactions energy: -99.592 where: short stacking energy: -56.188 Base-Backbone interact. energy: -0.248 local terms energy: -53.997000 where: bonds (distance) C4'-P energy: -10.418 bonds (distance) P-C4' energy: -16.914 flat angles C4'-P-C4' energy: -9.802 flat angles P-C4'-P energy: -9.844 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: 1, replica: 7 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -280.436510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.436510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.436510 (E_RNA) where: Base-Base interactions energy: -194.733 where: short stacking energy: -86.242 Base-Backbone interact. energy: -0.495 local terms energy: -85.208168 where: bonds (distance) C4'-P energy: -13.745 bonds (distance) P-C4' energy: -18.404 flat angles C4'-P-C4' energy: -18.269 flat angles P-C4'-P energy: -11.197 tors. eta vs tors. theta energy: -23.593 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: 10 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -240.245294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.245294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.245294 (E_RNA) where: Base-Base interactions energy: -165.052 where: short stacking energy: -78.465 Base-Backbone interact. energy: -0.051 local terms energy: -75.142293 where: bonds (distance) C4'-P energy: -16.790 bonds (distance) P-C4' energy: -18.305 flat angles C4'-P-C4' energy: -17.473 flat angles P-C4'-P energy: -9.224 tors. eta vs tors. theta energy: -13.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -273.199140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.199140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.199140 (E_RNA) where: Base-Base interactions energy: -192.602 where: short stacking energy: -76.846 Base-Backbone interact. energy: -1.565 local terms energy: -79.031973 where: bonds (distance) C4'-P energy: -17.832 bonds (distance) P-C4' energy: -16.206 flat angles C4'-P-C4' energy: -15.785 flat angles P-C4'-P energy: -7.404 tors. eta vs tors. theta energy: -21.806 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: 98 Temperature: 1.050000 Total energy: -250.334220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.334220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.334220 (E_RNA) where: Base-Base interactions energy: -160.524 where: short stacking energy: -81.086 Base-Backbone interact. energy: -0.040 local terms energy: -89.770071 where: bonds (distance) C4'-P energy: -17.360 bonds (distance) P-C4' energy: -17.298 flat angles C4'-P-C4' energy: -20.428 flat angles P-C4'-P energy: -13.253 tors. eta vs tors. theta energy: -21.430 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: 4 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -217.412688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.412688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.412688 (E_RNA) where: Base-Base interactions energy: -150.979 where: short stacking energy: -77.681 Base-Backbone interact. energy: 0.112 local terms energy: -66.545370 where: bonds (distance) C4'-P energy: -13.110 bonds (distance) P-C4' energy: -12.339 flat angles C4'-P-C4' energy: -16.967 flat angles P-C4'-P energy: -7.508 tors. eta vs tors. theta energy: -16.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -226.425041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.425041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.425041 (E_RNA) where: Base-Base interactions energy: -148.155 where: short stacking energy: -77.616 Base-Backbone interact. energy: 0.232 local terms energy: -78.501787 where: bonds (distance) C4'-P energy: -16.776 bonds (distance) P-C4' energy: -12.875 flat angles C4'-P-C4' energy: -19.348 flat angles P-C4'-P energy: -12.330 tors. eta vs tors. theta energy: -17.172 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: 5 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -206.924388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.924388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.924388 (E_RNA) where: Base-Base interactions energy: -131.670 where: short stacking energy: -64.508 Base-Backbone interact. energy: -0.019 local terms energy: -75.234663 where: bonds (distance) C4'-P energy: -13.031 bonds (distance) P-C4' energy: -15.194 flat angles C4'-P-C4' energy: -19.000 flat angles P-C4'-P energy: -13.324 tors. eta vs tors. theta energy: -14.686 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: 6 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -223.538273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.538273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.538273 (E_RNA) where: Base-Base interactions energy: -156.181 where: short stacking energy: -75.356 Base-Backbone interact. energy: -0.218 local terms energy: -67.139286 where: bonds (distance) C4'-P energy: -13.131 bonds (distance) P-C4' energy: -15.194 flat angles C4'-P-C4' energy: -15.612 flat angles P-C4'-P energy: -6.417 tors. eta vs tors. theta energy: -16.786 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: 9, replica: 1 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -186.155387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.155387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.155387 (E_RNA) where: Base-Base interactions energy: -112.472 where: short stacking energy: -51.223 Base-Backbone interact. energy: -1.057 local terms energy: -72.625986 where: bonds (distance) C4'-P energy: -16.877 bonds (distance) P-C4' energy: -17.321 flat angles C4'-P-C4' energy: -18.487 flat angles P-C4'-P energy: -10.094 tors. eta vs tors. theta energy: -9.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -157.820132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.820132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.820132 (E_RNA) where: Base-Base interactions energy: -97.133 where: short stacking energy: -51.166 Base-Backbone interact. energy: 0.992 local terms energy: -61.679748 where: bonds (distance) C4'-P energy: -14.124 bonds (distance) P-C4' energy: -13.521 flat angles C4'-P-C4' energy: -11.696 flat angles P-C4'-P energy: -10.945 tors. eta vs tors. theta energy: -11.394 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: 1, replica: 7 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -284.979165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.979165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.979165 (E_RNA) where: Base-Base interactions energy: -200.556 where: short stacking energy: -92.615 Base-Backbone interact. energy: -0.810 local terms energy: -83.612893 where: bonds (distance) C4'-P energy: -17.523 bonds (distance) P-C4' energy: -18.220 flat angles C4'-P-C4' energy: -14.493 flat angles P-C4'-P energy: -11.383 tors. eta vs tors. theta energy: -21.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -279.720583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.720583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.720583 (E_RNA) where: Base-Base interactions energy: -200.004 where: short stacking energy: -95.746 Base-Backbone interact. energy: -1.287 local terms energy: -78.430218 where: bonds (distance) C4'-P energy: -14.893 bonds (distance) P-C4' energy: -16.883 flat angles C4'-P-C4' energy: -16.359 flat angles P-C4'-P energy: -8.817 tors. eta vs tors. theta energy: -21.479 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: 99 Temperature: 1.000000 Total energy: -239.919013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.919013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.919013 (E_RNA) where: Base-Base interactions energy: -159.734 where: short stacking energy: -76.146 Base-Backbone interact. energy: -0.029 local terms energy: -80.155913 where: bonds (distance) C4'-P energy: -15.407 bonds (distance) P-C4' energy: -16.423 flat angles C4'-P-C4' energy: -17.492 flat angles P-C4'-P energy: -10.239 tors. eta vs tors. theta energy: -20.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -241.105232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.105232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.105232 (E_RNA) where: Base-Base interactions energy: -167.087 where: short stacking energy: -82.709 Base-Backbone interact. energy: -0.381 local terms energy: -73.637170 where: bonds (distance) C4'-P energy: -17.320 bonds (distance) P-C4' energy: -15.549 flat angles C4'-P-C4' energy: -14.293 flat angles P-C4'-P energy: -9.036 tors. eta vs tors. theta energy: -17.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -228.971278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.971278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.971278 (E_RNA) where: Base-Base interactions energy: -149.318 where: short stacking energy: -76.691 Base-Backbone interact. energy: -0.067 local terms energy: -79.587028 where: bonds (distance) C4'-P energy: -15.568 bonds (distance) P-C4' energy: -17.196 flat angles C4'-P-C4' energy: -18.779 flat angles P-C4'-P energy: -7.833 tors. eta vs tors. theta energy: -20.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -222.215970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.215970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.215970 (E_RNA) where: Base-Base interactions energy: -154.819 where: short stacking energy: -78.293 Base-Backbone interact. energy: -0.025 local terms energy: -67.372229 where: bonds (distance) C4'-P energy: -14.374 bonds (distance) P-C4' energy: -14.754 flat angles C4'-P-C4' energy: -14.598 flat angles P-C4'-P energy: -8.063 tors. eta vs tors. theta energy: -15.583 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: 5 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -199.997688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.997688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.997688 (E_RNA) where: Base-Base interactions energy: -134.375 where: short stacking energy: -59.435 Base-Backbone interact. energy: -0.533 local terms energy: -65.089880 where: bonds (distance) C4'-P energy: -15.126 bonds (distance) P-C4' energy: -14.349 flat angles C4'-P-C4' energy: -15.444 flat angles P-C4'-P energy: -12.383 tors. eta vs tors. theta energy: -7.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -227.559136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.559136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.559136 (E_RNA) where: Base-Base interactions energy: -146.209 where: short stacking energy: -70.131 Base-Backbone interact. energy: -0.005 local terms energy: -81.345537 where: bonds (distance) C4'-P energy: -17.363 bonds (distance) P-C4' energy: -19.144 flat angles C4'-P-C4' energy: -15.904 flat angles P-C4'-P energy: -10.334 tors. eta vs tors. theta energy: -18.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -168.737996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.737996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.737996 (E_RNA) where: Base-Base interactions energy: -102.850 where: short stacking energy: -43.840 Base-Backbone interact. energy: -0.288 local terms energy: -65.600221 where: bonds (distance) C4'-P energy: -17.072 bonds (distance) P-C4' energy: -14.922 flat angles C4'-P-C4' energy: -17.148 flat angles P-C4'-P energy: -7.395 tors. eta vs tors. theta energy: -9.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -146.097234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.097234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.097234 (E_RNA) where: Base-Base interactions energy: -85.189 where: short stacking energy: -42.108 Base-Backbone interact. energy: -0.497 local terms energy: -60.411703 where: bonds (distance) C4'-P energy: -11.035 bonds (distance) P-C4' energy: -20.165 flat angles C4'-P-C4' energy: -17.167 flat angles P-C4'-P energy: -6.452 tors. eta vs tors. theta energy: -5.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -283.352281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.352281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.352281 (E_RNA) where: Base-Base interactions energy: -194.194 where: short stacking energy: -95.125 Base-Backbone interact. energy: -1.044 local terms energy: -88.114781 where: bonds (distance) C4'-P energy: -16.508 bonds (distance) P-C4' energy: -18.975 flat angles C4'-P-C4' energy: -18.130 flat angles P-C4'-P energy: -10.579 tors. eta vs tors. theta energy: -23.923 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: 2, replica: 7 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -286.648957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.648957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.648957 (E_RNA) where: Base-Base interactions energy: -200.015 where: short stacking energy: -88.868 Base-Backbone interact. energy: -0.634 local terms energy: -86.000174 where: bonds (distance) C4'-P energy: -18.872 bonds (distance) P-C4' energy: -17.308 flat angles C4'-P-C4' energy: -18.240 flat angles P-C4'-P energy: -11.294 tors. eta vs tors. theta energy: -20.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -241.174530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.174530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.174530 (E_RNA) where: Base-Base interactions energy: -162.984 where: short stacking energy: -80.390 Base-Backbone interact. energy: -0.108 local terms energy: -78.082089 where: bonds (distance) C4'-P energy: -17.422 bonds (distance) P-C4' energy: -17.160 flat angles C4'-P-C4' energy: -16.522 flat angles P-C4'-P energy: -11.333 tors. eta vs tors. theta energy: -15.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -237.878415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.878415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.878415 (E_RNA) where: Base-Base interactions energy: -155.288 where: short stacking energy: -72.542 Base-Backbone interact. energy: -0.176 local terms energy: -82.414024 where: bonds (distance) C4'-P energy: -16.413 bonds (distance) P-C4' energy: -17.831 flat angles C4'-P-C4' energy: -17.605 flat angles P-C4'-P energy: -9.678 tors. eta vs tors. theta energy: -20.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -236.469511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.469511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.469511 (E_RNA) where: Base-Base interactions energy: -157.846 where: short stacking energy: -74.568 Base-Backbone interact. energy: -0.072 local terms energy: -78.550721 where: bonds (distance) C4'-P energy: -13.759 bonds (distance) P-C4' energy: -19.467 flat angles C4'-P-C4' energy: -19.687 flat angles P-C4'-P energy: -8.742 tors. eta vs tors. theta energy: -16.896 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: 8 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -220.742302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.742302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.742302 (E_RNA) where: Base-Base interactions energy: -149.056 where: short stacking energy: -71.718 Base-Backbone interact. energy: -0.572 local terms energy: -71.114218 where: bonds (distance) C4'-P energy: -15.158 bonds (distance) P-C4' energy: -16.299 flat angles C4'-P-C4' energy: -15.970 flat angles P-C4'-P energy: -10.136 tors. eta vs tors. theta energy: -13.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -212.614838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.614838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.614838 (E_RNA) where: Base-Base interactions energy: -142.057 where: short stacking energy: -63.641 Base-Backbone interact. energy: -0.403 local terms energy: -70.154935 where: bonds (distance) C4'-P energy: -13.514 bonds (distance) P-C4' energy: -19.092 flat angles C4'-P-C4' energy: -15.416 flat angles P-C4'-P energy: -6.470 tors. eta vs tors. theta energy: -15.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -199.847167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.847167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.847167 (E_RNA) where: Base-Base interactions energy: -131.030 where: short stacking energy: -66.874 Base-Backbone interact. energy: -0.074 local terms energy: -68.742835 where: bonds (distance) C4'-P energy: -13.524 bonds (distance) P-C4' energy: -16.286 flat angles C4'-P-C4' energy: -16.878 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: -13.657 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: 9, replica: 1 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -165.494472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.494472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.494472 (E_RNA) where: Base-Base interactions energy: -105.115 where: short stacking energy: -50.818 Base-Backbone interact. energy: -1.866 local terms energy: -58.514186 where: bonds (distance) C4'-P energy: -10.712 bonds (distance) P-C4' energy: -12.573 flat angles C4'-P-C4' energy: -17.694 flat angles P-C4'-P energy: -6.632 tors. eta vs tors. theta energy: -10.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -103.049658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.049658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.049658 (E_RNA) where: Base-Base interactions energy: -59.151 where: short stacking energy: -39.612 Base-Backbone interact. energy: 1.311 local terms energy: -45.210100 where: bonds (distance) C4'-P energy: -12.445 bonds (distance) P-C4' energy: -12.484 flat angles C4'-P-C4' energy: -11.347 flat angles P-C4'-P energy: -6.668 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: 1, replica: 3 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -288.581897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.581897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.581897 (E_RNA) where: Base-Base interactions energy: -207.737 where: short stacking energy: -95.523 Base-Backbone interact. energy: -0.155 local terms energy: -80.689470 where: bonds (distance) C4'-P energy: -15.054 bonds (distance) P-C4' energy: -16.227 flat angles C4'-P-C4' energy: -20.067 flat angles P-C4'-P energy: -8.241 tors. eta vs tors. theta energy: -21.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -285.999083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.999083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.999083 (E_RNA) where: Base-Base interactions energy: -203.824 where: short stacking energy: -91.797 Base-Backbone interact. energy: -0.714 local terms energy: -81.460826 where: bonds (distance) C4'-P energy: -19.183 bonds (distance) P-C4' energy: -14.166 flat angles C4'-P-C4' energy: -15.829 flat angles P-C4'-P energy: -7.462 tors. eta vs tors. theta energy: -24.820 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: 4 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -243.572684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.572684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.572684 (E_RNA) where: Base-Base interactions energy: -163.019 where: short stacking energy: -77.951 Base-Backbone interact. energy: 1.208 local terms energy: -81.761257 where: bonds (distance) C4'-P energy: -16.881 bonds (distance) P-C4' energy: -13.411 flat angles C4'-P-C4' energy: -14.684 flat angles P-C4'-P energy: -14.344 tors. eta vs tors. theta energy: -22.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -243.741033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.741033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.741033 (E_RNA) where: Base-Base interactions energy: -161.410 where: short stacking energy: -76.785 Base-Backbone interact. energy: -0.380 local terms energy: -81.950971 where: bonds (distance) C4'-P energy: -16.052 bonds (distance) P-C4' energy: -17.058 flat angles C4'-P-C4' energy: -15.992 flat angles P-C4'-P energy: -13.552 tors. eta vs tors. theta energy: -19.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -226.439646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.439646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.439646 (E_RNA) where: Base-Base interactions energy: -160.869 where: short stacking energy: -72.509 Base-Backbone interact. energy: -0.023 local terms energy: -65.547877 where: bonds (distance) C4'-P energy: -14.651 bonds (distance) P-C4' energy: -14.899 flat angles C4'-P-C4' energy: -12.601 flat angles P-C4'-P energy: -8.109 tors. eta vs tors. theta energy: -15.288 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: 6, replica: 6 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -240.121898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.121898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.121898 (E_RNA) where: Base-Base interactions energy: -158.287 where: short stacking energy: -74.809 Base-Backbone interact. energy: -0.997 local terms energy: -80.837354 where: bonds (distance) C4'-P energy: -14.194 bonds (distance) P-C4' energy: -18.545 flat angles C4'-P-C4' energy: -18.741 flat angles P-C4'-P energy: -11.338 tors. eta vs tors. theta energy: -18.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -216.821571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.821571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.821571 (E_RNA) where: Base-Base interactions energy: -151.417 where: short stacking energy: -71.732 Base-Backbone interact. energy: -0.669 local terms energy: -64.735721 where: bonds (distance) C4'-P energy: -17.712 bonds (distance) P-C4' energy: -13.603 flat angles C4'-P-C4' energy: -11.146 flat angles P-C4'-P energy: -3.711 tors. eta vs tors. theta energy: -18.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -210.561568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.561568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.561568 (E_RNA) where: Base-Base interactions energy: -150.732 where: short stacking energy: -68.279 Base-Backbone interact. energy: 0.403 local terms energy: -60.231804 where: bonds (distance) C4'-P energy: -12.848 bonds (distance) P-C4' energy: -18.112 flat angles C4'-P-C4' energy: -14.187 flat angles P-C4'-P energy: -3.812 tors. eta vs tors. theta energy: -11.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -168.310951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.310951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.310951 (E_RNA) where: Base-Base interactions energy: -100.415 where: short stacking energy: -47.365 Base-Backbone interact. energy: -0.249 local terms energy: -67.646714 where: bonds (distance) C4'-P energy: -16.176 bonds (distance) P-C4' energy: -19.123 flat angles C4'-P-C4' energy: -12.589 flat angles P-C4'-P energy: -14.433 tors. eta vs tors. theta energy: -5.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -115.380801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.380801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.380801 (E_RNA) where: Base-Base interactions energy: -54.725 where: short stacking energy: -40.527 Base-Backbone interact. energy: -0.443 local terms energy: -60.213285 where: bonds (distance) C4'-P energy: -12.604 bonds (distance) P-C4' energy: -11.593 flat angles C4'-P-C4' energy: -15.406 flat angles P-C4'-P energy: -13.862 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: 1, replica: 3 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -276.221650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.221650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.221650 (E_RNA) where: Base-Base interactions energy: -192.633 where: short stacking energy: -86.317 Base-Backbone interact. energy: -0.440 local terms energy: -83.148479 where: bonds (distance) C4'-P energy: -15.179 bonds (distance) P-C4' energy: -20.855 flat angles C4'-P-C4' energy: -16.441 flat angles P-C4'-P energy: -11.072 tors. eta vs tors. theta energy: -19.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -279.934161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.934161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.934161 (E_RNA) where: Base-Base interactions energy: -200.421 where: short stacking energy: -91.260 Base-Backbone interact. energy: -0.131 local terms energy: -79.381874 where: bonds (distance) C4'-P energy: -12.998 bonds (distance) P-C4' energy: -17.758 flat angles C4'-P-C4' energy: -17.463 flat angles P-C4'-P energy: -8.922 tors. eta vs tors. theta energy: -22.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -247.946227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.946227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.946227 (E_RNA) where: Base-Base interactions energy: -176.177 where: short stacking energy: -86.532 Base-Backbone interact. energy: -0.111 local terms energy: -71.657662 where: bonds (distance) C4'-P energy: -12.894 bonds (distance) P-C4' energy: -13.931 flat angles C4'-P-C4' energy: -15.220 flat angles P-C4'-P energy: -8.419 tors. eta vs tors. theta energy: -21.194 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: 2 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -242.225760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.225760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.225760 (E_RNA) where: Base-Base interactions energy: -158.062 where: short stacking energy: -83.015 Base-Backbone interact. energy: -0.057 local terms energy: -84.106463 where: bonds (distance) C4'-P energy: -13.668 bonds (distance) P-C4' energy: -19.958 flat angles C4'-P-C4' energy: -17.554 flat angles P-C4'-P energy: -13.281 tors. eta vs tors. theta energy: -19.646 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: 6 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -244.208467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.208467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.208467 (E_RNA) where: Base-Base interactions energy: -159.016 where: short stacking energy: -73.515 Base-Backbone interact. energy: -0.848 local terms energy: -84.344587 where: bonds (distance) C4'-P energy: -15.870 bonds (distance) P-C4' energy: -16.899 flat angles C4'-P-C4' energy: -18.826 flat angles P-C4'-P energy: -10.784 tors. eta vs tors. theta energy: -21.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -219.239598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.239598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.239598 (E_RNA) where: Base-Base interactions energy: -148.417 where: short stacking energy: -65.363 Base-Backbone interact. energy: -0.747 local terms energy: -70.075795 where: bonds (distance) C4'-P energy: -17.263 bonds (distance) P-C4' energy: -15.120 flat angles C4'-P-C4' energy: -15.477 flat angles P-C4'-P energy: -6.995 tors. eta vs tors. theta energy: -15.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -220.922470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.922470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.922470 (E_RNA) where: Base-Base interactions energy: -158.300 where: short stacking energy: -69.750 Base-Backbone interact. energy: -0.226 local terms energy: -62.397192 where: bonds (distance) C4'-P energy: -9.607 bonds (distance) P-C4' energy: -17.460 flat angles C4'-P-C4' energy: -15.277 flat angles P-C4'-P energy: -4.317 tors. eta vs tors. theta energy: -15.736 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: 5 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -195.601393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.601393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.601393 (E_RNA) where: Base-Base interactions energy: -139.477 where: short stacking energy: -62.141 Base-Backbone interact. energy: -0.152 local terms energy: -55.972843 where: bonds (distance) C4'-P energy: -11.536 bonds (distance) P-C4' energy: -13.168 flat angles C4'-P-C4' energy: -14.732 flat angles P-C4'-P energy: -7.557 tors. eta vs tors. theta energy: -8.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -177.633669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.633669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.633669 (E_RNA) where: Base-Base interactions energy: -110.594 where: short stacking energy: -55.210 Base-Backbone interact. energy: -1.254 local terms energy: -65.786293 where: bonds (distance) C4'-P energy: -13.183 bonds (distance) P-C4' energy: -15.601 flat angles C4'-P-C4' energy: -15.266 flat angles P-C4'-P energy: -13.140 tors. eta vs tors. theta energy: -8.595 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: 9 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -96.818652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.818652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.818652 (E_RNA) where: Base-Base interactions energy: -40.517 where: short stacking energy: -37.539 Base-Backbone interact. energy: -0.353 local terms energy: -55.949190 where: bonds (distance) C4'-P energy: -15.363 bonds (distance) P-C4' energy: -15.024 flat angles C4'-P-C4' energy: -11.709 flat angles P-C4'-P energy: -6.924 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: 1, replica: 3 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -290.579615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.579615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.579615 (E_RNA) where: Base-Base interactions energy: -203.650 where: short stacking energy: -93.265 Base-Backbone interact. energy: 0.184 local terms energy: -87.113592 where: bonds (distance) C4'-P energy: -19.031 bonds (distance) P-C4' energy: -15.961 flat angles C4'-P-C4' energy: -21.129 flat angles P-C4'-P energy: -9.737 tors. eta vs tors. theta energy: -21.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -254.470147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.470147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.470147 (E_RNA) where: Base-Base interactions energy: -176.820 where: short stacking energy: -91.135 Base-Backbone interact. energy: -0.384 local terms energy: -77.266209 where: bonds (distance) C4'-P energy: -11.872 bonds (distance) P-C4' energy: -16.992 flat angles C4'-P-C4' energy: -16.067 flat angles P-C4'-P energy: -9.365 tors. eta vs tors. theta energy: -22.971 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: 3, replica: 7 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -287.946565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.946565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.946565 (E_RNA) where: Base-Base interactions energy: -207.168 where: short stacking energy: -88.661 Base-Backbone interact. energy: -0.608 local terms energy: -80.170431 where: bonds (distance) C4'-P energy: -15.251 bonds (distance) P-C4' energy: -18.389 flat angles C4'-P-C4' energy: -14.327 flat angles P-C4'-P energy: -12.482 tors. eta vs tors. theta energy: -19.721 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: 6 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -256.362069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.362069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.362069 (E_RNA) where: Base-Base interactions energy: -175.178 where: short stacking energy: -88.504 Base-Backbone interact. energy: -0.042 local terms energy: -81.142587 where: bonds (distance) C4'-P energy: -13.760 bonds (distance) P-C4' energy: -17.534 flat angles C4'-P-C4' energy: -18.644 flat angles P-C4'-P energy: -10.121 tors. eta vs tors. theta energy: -21.084 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: 5, replica: 2 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -235.811645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.811645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.811645 (E_RNA) where: Base-Base interactions energy: -157.924 where: short stacking energy: -82.386 Base-Backbone interact. energy: -0.666 local terms energy: -77.221763 where: bonds (distance) C4'-P energy: -15.010 bonds (distance) P-C4' energy: -17.958 flat angles C4'-P-C4' energy: -16.447 flat angles P-C4'-P energy: -7.467 tors. eta vs tors. theta energy: -20.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -231.878357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.878357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.878357 (E_RNA) where: Base-Base interactions energy: -153.182 where: short stacking energy: -72.396 Base-Backbone interact. energy: -0.410 local terms energy: -78.286184 where: bonds (distance) C4'-P energy: -18.706 bonds (distance) P-C4' energy: -15.572 flat angles C4'-P-C4' energy: -16.724 flat angles P-C4'-P energy: -10.043 tors. eta vs tors. theta energy: -17.240 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: 7, replica: 10 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -225.806898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.806898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.806898 (E_RNA) where: Base-Base interactions energy: -160.255 where: short stacking energy: -74.775 Base-Backbone interact. energy: -0.588 local terms energy: -64.963833 where: bonds (distance) C4'-P energy: -16.334 bonds (distance) P-C4' energy: -9.546 flat angles C4'-P-C4' energy: -16.083 flat angles P-C4'-P energy: -6.513 tors. eta vs tors. theta energy: -16.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -192.139805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.139805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.139805 (E_RNA) where: Base-Base interactions energy: -126.125 where: short stacking energy: -51.067 Base-Backbone interact. energy: -0.197 local terms energy: -65.817208 where: bonds (distance) C4'-P energy: -16.632 bonds (distance) P-C4' energy: -17.936 flat angles C4'-P-C4' energy: -16.561 flat angles P-C4'-P energy: -6.324 tors. eta vs tors. theta energy: -8.364 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: 9, replica: 1 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -185.250645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.250645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.250645 (E_RNA) where: Base-Base interactions energy: -121.966 where: short stacking energy: -73.550 Base-Backbone interact. energy: -0.058 local terms energy: -63.227259 where: bonds (distance) C4'-P energy: -13.425 bonds (distance) P-C4' energy: -11.710 flat angles C4'-P-C4' energy: -13.579 flat angles P-C4'-P energy: -5.837 tors. eta vs tors. theta energy: -18.677 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: 9 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -88.669399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.669399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.669399 (E_RNA) where: Base-Base interactions energy: -40.515 where: short stacking energy: -31.599 Base-Backbone interact. energy: -0.009 local terms energy: -48.145416 where: bonds (distance) C4'-P energy: -9.093 bonds (distance) P-C4' energy: -15.328 flat angles C4'-P-C4' energy: -9.284 flat angles P-C4'-P energy: -10.149 tors. eta vs tors. theta energy: -4.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -261.896839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.896839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.896839 (E_RNA) where: Base-Base interactions energy: -177.770 where: short stacking energy: -95.124 Base-Backbone interact. energy: -0.113 local terms energy: -84.013949 where: bonds (distance) C4'-P energy: -18.098 bonds (distance) P-C4' energy: -18.610 flat angles C4'-P-C4' energy: -20.198 flat angles P-C4'-P energy: -5.147 tors. eta vs tors. theta energy: -21.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -276.774909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.774909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.774909 (E_RNA) where: Base-Base interactions energy: -195.342 where: short stacking energy: -85.473 Base-Backbone interact. energy: -0.055 local terms energy: -81.378498 where: bonds (distance) C4'-P energy: -18.350 bonds (distance) P-C4' energy: -15.093 flat angles C4'-P-C4' energy: -17.343 flat angles P-C4'-P energy: -7.702 tors. eta vs tors. theta energy: -22.890 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: 7 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -271.543517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.543517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.543517 (E_RNA) where: Base-Base interactions energy: -202.852 where: short stacking energy: -91.354 Base-Backbone interact. energy: -0.694 local terms energy: -67.997690 where: bonds (distance) C4'-P energy: -7.519 bonds (distance) P-C4' energy: -15.512 flat angles C4'-P-C4' energy: -18.142 flat angles P-C4'-P energy: -6.809 tors. eta vs tors. theta energy: -20.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -248.686021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.686021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.686021 (E_RNA) where: Base-Base interactions energy: -161.803 where: short stacking energy: -81.849 Base-Backbone interact. energy: -0.002 local terms energy: -86.880588 where: bonds (distance) C4'-P energy: -13.402 bonds (distance) P-C4' energy: -17.187 flat angles C4'-P-C4' energy: -20.748 flat angles P-C4'-P energy: -12.158 tors. eta vs tors. theta energy: -23.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -226.995500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.995500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.995500 (E_RNA) where: Base-Base interactions energy: -144.406 where: short stacking energy: -78.110 Base-Backbone interact. energy: -0.580 local terms energy: -82.009526 where: bonds (distance) C4'-P energy: -17.345 bonds (distance) P-C4' energy: -18.640 flat angles C4'-P-C4' energy: -16.475 flat angles P-C4'-P energy: -10.984 tors. eta vs tors. theta energy: -18.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -220.746014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.746014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.746014 (E_RNA) where: Base-Base interactions energy: -142.811 where: short stacking energy: -70.099 Base-Backbone interact. energy: -0.751 local terms energy: -77.184744 where: bonds (distance) C4'-P energy: -13.634 bonds (distance) P-C4' energy: -19.285 flat angles C4'-P-C4' energy: -16.090 flat angles P-C4'-P energy: -9.881 tors. eta vs tors. theta energy: -18.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -235.773560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.773560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.773560 (E_RNA) where: Base-Base interactions energy: -159.054 where: short stacking energy: -73.364 Base-Backbone interact. energy: -1.158 local terms energy: -75.561889 where: bonds (distance) C4'-P energy: -17.750 bonds (distance) P-C4' energy: -15.963 flat angles C4'-P-C4' energy: -16.431 flat angles P-C4'-P energy: -8.123 tors. eta vs tors. theta energy: -17.296 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: 5 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -208.940453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.940453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.940453 (E_RNA) where: Base-Base interactions energy: -141.113 where: short stacking energy: -68.000 Base-Backbone interact. energy: -0.521 local terms energy: -67.307102 where: bonds (distance) C4'-P energy: -12.521 bonds (distance) P-C4' energy: -14.156 flat angles C4'-P-C4' energy: -16.794 flat angles P-C4'-P energy: -7.624 tors. eta vs tors. theta energy: -16.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -173.081172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.081172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.081172 (E_RNA) where: Base-Base interactions energy: -104.797 where: short stacking energy: -44.346 Base-Backbone interact. energy: -0.251 local terms energy: -68.033534 where: bonds (distance) C4'-P energy: -14.986 bonds (distance) P-C4' energy: -17.955 flat angles C4'-P-C4' energy: -14.474 flat angles P-C4'-P energy: -5.627 tors. eta vs tors. theta energy: -14.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -101.808163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.808163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.808163 (E_RNA) where: Base-Base interactions energy: -44.087 where: short stacking energy: -34.596 Base-Backbone interact. energy: -0.077 local terms energy: -57.643742 where: bonds (distance) C4'-P energy: -14.914 bonds (distance) P-C4' energy: -14.575 flat angles C4'-P-C4' energy: -15.994 flat angles P-C4'-P energy: -7.726 tors. eta vs tors. theta energy: -4.434 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: 1, replica: 4 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -263.005854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.005854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.005854 (E_RNA) where: Base-Base interactions energy: -179.893 where: short stacking energy: -91.386 Base-Backbone interact. energy: -0.896 local terms energy: -82.216760 where: bonds (distance) C4'-P energy: -17.241 bonds (distance) P-C4' energy: -18.405 flat angles C4'-P-C4' energy: -15.757 flat angles P-C4'-P energy: -8.570 tors. eta vs tors. theta energy: -22.243 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: 2, replica: 7 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -284.252179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.252179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.252179 (E_RNA) where: Base-Base interactions energy: -206.640 where: short stacking energy: -90.391 Base-Backbone interact. energy: -0.368 local terms energy: -77.244642 where: bonds (distance) C4'-P energy: -11.831 bonds (distance) P-C4' energy: -18.456 flat angles C4'-P-C4' energy: -16.820 flat angles P-C4'-P energy: -10.950 tors. eta vs tors. theta energy: -19.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -276.148163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.148163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.148163 (E_RNA) where: Base-Base interactions energy: -194.427 where: short stacking energy: -89.036 Base-Backbone interact. energy: -0.759 local terms energy: -80.961974 where: bonds (distance) C4'-P energy: -16.723 bonds (distance) P-C4' energy: -18.446 flat angles C4'-P-C4' energy: -14.703 flat angles P-C4'-P energy: -10.840 tors. eta vs tors. theta energy: -20.250 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: 6 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -248.507070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.507070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.507070 (E_RNA) where: Base-Base interactions energy: -165.858 where: short stacking energy: -83.050 Base-Backbone interact. energy: -0.506 local terms energy: -82.143175 where: bonds (distance) C4'-P energy: -12.825 bonds (distance) P-C4' energy: -14.715 flat angles C4'-P-C4' energy: -19.611 flat angles P-C4'-P energy: -11.464 tors. eta vs tors. theta energy: -23.528 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: 2 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -232.884220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.884220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.884220 (E_RNA) where: Base-Base interactions energy: -155.744 where: short stacking energy: -79.280 Base-Backbone interact. energy: -0.001 local terms energy: -77.139063 where: bonds (distance) C4'-P energy: -15.613 bonds (distance) P-C4' energy: -13.068 flat angles C4'-P-C4' energy: -19.151 flat angles P-C4'-P energy: -11.752 tors. eta vs tors. theta energy: -17.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -236.810556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.810556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.810556 (E_RNA) where: Base-Base interactions energy: -157.518 where: short stacking energy: -73.703 Base-Backbone interact. energy: -0.790 local terms energy: -78.502787 where: bonds (distance) C4'-P energy: -17.311 bonds (distance) P-C4' energy: -19.478 flat angles C4'-P-C4' energy: -18.106 flat angles P-C4'-P energy: -11.543 tors. eta vs tors. theta energy: -12.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -222.357134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.357134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.357134 (E_RNA) where: Base-Base interactions energy: -151.109 where: short stacking energy: -73.440 Base-Backbone interact. energy: -0.092 local terms energy: -71.155778 where: bonds (distance) C4'-P energy: -15.990 bonds (distance) P-C4' energy: -16.815 flat angles C4'-P-C4' energy: -14.942 flat angles P-C4'-P energy: -9.417 tors. eta vs tors. theta energy: -13.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -208.966217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.966217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.966217 (E_RNA) where: Base-Base interactions energy: -137.897 where: short stacking energy: -64.530 Base-Backbone interact. energy: 0.692 local terms energy: -71.760816 where: bonds (distance) C4'-P energy: -14.757 bonds (distance) P-C4' energy: -13.274 flat angles C4'-P-C4' energy: -16.844 flat angles P-C4'-P energy: -12.506 tors. eta vs tors. theta energy: -14.380 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: 1 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -160.446584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.446584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.446584 (E_RNA) where: Base-Base interactions energy: -100.582 where: short stacking energy: -46.583 Base-Backbone interact. energy: -0.131 local terms energy: -59.734376 where: bonds (distance) C4'-P energy: -16.140 bonds (distance) P-C4' energy: -12.606 flat angles C4'-P-C4' energy: -9.488 flat angles P-C4'-P energy: -9.620 tors. eta vs tors. theta energy: -11.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -119.758157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.758157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.758157 (E_RNA) where: Base-Base interactions energy: -60.498 where: short stacking energy: -34.068 Base-Backbone interact. energy: 0.564 local terms energy: -59.824121 where: bonds (distance) C4'-P energy: -17.787 bonds (distance) P-C4' energy: -16.678 flat angles C4'-P-C4' energy: -16.038 flat angles P-C4'-P energy: -8.635 tors. eta vs tors. theta energy: -0.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -281.789527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.789527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.789527 (E_RNA) where: Base-Base interactions energy: -201.075 where: short stacking energy: -87.627 Base-Backbone interact. energy: -0.675 local terms energy: -80.039413 where: bonds (distance) C4'-P energy: -13.723 bonds (distance) P-C4' energy: -15.341 flat angles C4'-P-C4' energy: -17.722 flat angles P-C4'-P energy: -10.925 tors. eta vs tors. theta energy: -22.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -249.276403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.276403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.276403 (E_RNA) where: Base-Base interactions energy: -169.500 where: short stacking energy: -87.851 Base-Backbone interact. energy: -0.004 local terms energy: -79.772386 where: bonds (distance) C4'-P energy: -16.674 bonds (distance) P-C4' energy: -15.118 flat angles C4'-P-C4' energy: -17.283 flat angles P-C4'-P energy: -11.478 tors. eta vs tors. theta energy: -19.220 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: 3 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -265.561351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.561351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.561351 (E_RNA) where: Base-Base interactions energy: -189.022 where: short stacking energy: -84.985 Base-Backbone interact. energy: 0.531 local terms energy: -77.069980 where: bonds (distance) C4'-P energy: -14.650 bonds (distance) P-C4' energy: -15.513 flat angles C4'-P-C4' energy: -19.717 flat angles P-C4'-P energy: -8.951 tors. eta vs tors. theta energy: -18.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -246.147678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.147678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.147678 (E_RNA) where: Base-Base interactions energy: -172.088 where: short stacking energy: -81.609 Base-Backbone interact. energy: -0.692 local terms energy: -73.367343 where: bonds (distance) C4'-P energy: -9.287 bonds (distance) P-C4' energy: -19.414 flat angles C4'-P-C4' energy: -15.339 flat angles P-C4'-P energy: -11.030 tors. eta vs tors. theta energy: -18.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -234.652047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.652047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.652047 (E_RNA) where: Base-Base interactions energy: -151.577 where: short stacking energy: -67.099 Base-Backbone interact. energy: -1.119 local terms energy: -81.956155 where: bonds (distance) C4'-P energy: -15.283 bonds (distance) P-C4' energy: -18.665 flat angles C4'-P-C4' energy: -16.226 flat angles P-C4'-P energy: -11.912 tors. eta vs tors. theta energy: -19.870 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: 2 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -221.447293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.447293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.447293 (E_RNA) where: Base-Base interactions energy: -143.312 where: short stacking energy: -64.456 Base-Backbone interact. energy: 0.451 local terms energy: -78.586034 where: bonds (distance) C4'-P energy: -16.127 bonds (distance) P-C4' energy: -18.911 flat angles C4'-P-C4' energy: -17.936 flat angles P-C4'-P energy: -8.855 tors. eta vs tors. theta energy: -16.756 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: 7, replica: 5 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -214.845946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.845946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.845946 (E_RNA) where: Base-Base interactions energy: -144.315 where: short stacking energy: -70.693 Base-Backbone interact. energy: -0.048 local terms energy: -70.482933 where: bonds (distance) C4'-P energy: -12.684 bonds (distance) P-C4' energy: -16.020 flat angles C4'-P-C4' energy: -19.800 flat angles P-C4'-P energy: -6.932 tors. eta vs tors. theta energy: -15.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -192.135243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.135243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.135243 (E_RNA) where: Base-Base interactions energy: -135.167 where: short stacking energy: -63.399 Base-Backbone interact. energy: -0.457 local terms energy: -56.510770 where: bonds (distance) C4'-P energy: -12.687 bonds (distance) P-C4' energy: -13.814 flat angles C4'-P-C4' energy: -13.506 flat angles P-C4'-P energy: -3.066 tors. eta vs tors. theta energy: -13.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -156.375057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.375057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.375057 (E_RNA) where: Base-Base interactions energy: -94.658 where: short stacking energy: -58.390 Base-Backbone interact. energy: -0.004 local terms energy: -61.713346 where: bonds (distance) C4'-P energy: -13.929 bonds (distance) P-C4' energy: -15.485 flat angles C4'-P-C4' energy: -16.314 flat angles P-C4'-P energy: -7.781 tors. eta vs tors. theta energy: -8.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -122.120820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.120820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.120820 (E_RNA) where: Base-Base interactions energy: -66.802 where: short stacking energy: -38.589 Base-Backbone interact. energy: -0.472 local terms energy: -54.847330 where: bonds (distance) C4'-P energy: -15.776 bonds (distance) P-C4' energy: -14.829 flat angles C4'-P-C4' energy: -7.728 flat angles P-C4'-P energy: -7.968 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: 1, replica: 7 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -289.460413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.460413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.460413 (E_RNA) where: Base-Base interactions energy: -207.800 where: short stacking energy: -100.846 Base-Backbone interact. energy: -0.923 local terms energy: -80.737729 where: bonds (distance) C4'-P energy: -16.280 bonds (distance) P-C4' energy: -15.741 flat angles C4'-P-C4' energy: -16.117 flat angles P-C4'-P energy: -9.393 tors. eta vs tors. theta energy: -23.207 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: 3 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -268.465772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.465772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.465772 (E_RNA) where: Base-Base interactions energy: -190.612 where: short stacking energy: -80.484 Base-Backbone interact. energy: -0.402 local terms energy: -77.452003 where: bonds (distance) C4'-P energy: -17.164 bonds (distance) P-C4' energy: -17.287 flat angles C4'-P-C4' energy: -16.144 flat angles P-C4'-P energy: -9.238 tors. eta vs tors. theta energy: -17.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -242.358796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.358796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.358796 (E_RNA) where: Base-Base interactions energy: -159.335 where: short stacking energy: -81.518 Base-Backbone interact. energy: -0.381 local terms energy: -82.642784 where: bonds (distance) C4'-P energy: -18.926 bonds (distance) P-C4' energy: -16.251 flat angles C4'-P-C4' energy: -15.404 flat angles P-C4'-P energy: -13.364 tors. eta vs tors. theta energy: -18.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -248.401889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.401889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.401889 (E_RNA) where: Base-Base interactions energy: -176.919 where: short stacking energy: -86.416 Base-Backbone interact. energy: 2.118 local terms energy: -73.601149 where: bonds (distance) C4'-P energy: -13.606 bonds (distance) P-C4' energy: -15.567 flat angles C4'-P-C4' energy: -12.755 flat angles P-C4'-P energy: -10.244 tors. eta vs tors. theta energy: -21.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -238.749537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.749537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.749537 (E_RNA) where: Base-Base interactions energy: -170.821 where: short stacking energy: -75.246 Base-Backbone interact. energy: -0.307 local terms energy: -67.621634 where: bonds (distance) C4'-P energy: -17.896 bonds (distance) P-C4' energy: -14.282 flat angles C4'-P-C4' energy: -16.224 flat angles P-C4'-P energy: -5.091 tors. eta vs tors. theta energy: -14.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -219.170356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.170356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.170356 (E_RNA) where: Base-Base interactions energy: -146.685 where: short stacking energy: -83.997 Base-Backbone interact. energy: -0.127 local terms energy: -72.358454 where: bonds (distance) C4'-P energy: -9.297 bonds (distance) P-C4' energy: -14.832 flat angles C4'-P-C4' energy: -16.003 flat angles P-C4'-P energy: -11.039 tors. eta vs tors. theta energy: -21.187 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: 2 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -227.962189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.962189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.962189 (E_RNA) where: Base-Base interactions energy: -155.520 where: short stacking energy: -73.661 Base-Backbone interact. energy: -0.205 local terms energy: -72.237259 where: bonds (distance) C4'-P energy: -17.141 bonds (distance) P-C4' energy: -10.722 flat angles C4'-P-C4' energy: -17.587 flat angles P-C4'-P energy: -11.999 tors. eta vs tors. theta energy: -14.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -209.786309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.786309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.786309 (E_RNA) where: Base-Base interactions energy: -136.764 where: short stacking energy: -61.165 Base-Backbone interact. energy: -0.558 local terms energy: -72.464754 where: bonds (distance) C4'-P energy: -17.639 bonds (distance) P-C4' energy: -17.042 flat angles C4'-P-C4' energy: -14.805 flat angles P-C4'-P energy: -6.811 tors. eta vs tors. theta energy: -16.167 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: 1 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -165.455366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.455366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.455366 (E_RNA) where: Base-Base interactions energy: -105.239 where: short stacking energy: -52.925 Base-Backbone interact. energy: -0.020 local terms energy: -60.195561 where: bonds (distance) C4'-P energy: -19.608 bonds (distance) P-C4' energy: -9.506 flat angles C4'-P-C4' energy: -10.634 flat angles P-C4'-P energy: -12.617 tors. eta vs tors. theta energy: -7.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -97.223529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.223529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.223529 (E_RNA) where: Base-Base interactions energy: -62.466 where: short stacking energy: -32.322 Base-Backbone interact. energy: -0.253 local terms energy: -34.505164 where: bonds (distance) C4'-P energy: -9.334 bonds (distance) P-C4' energy: -11.387 flat angles C4'-P-C4' energy: -10.393 flat angles P-C4'-P energy: -2.059 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: 1, replica: 7 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -289.487979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.487979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.487979 (E_RNA) where: Base-Base interactions energy: -198.671 where: short stacking energy: -92.025 Base-Backbone interact. energy: -1.025 local terms energy: -89.791894 where: bonds (distance) C4'-P energy: -18.649 bonds (distance) P-C4' energy: -19.045 flat angles C4'-P-C4' energy: -19.285 flat angles P-C4'-P energy: -10.334 tors. eta vs tors. theta energy: -22.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -278.322998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.322998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.322998 (E_RNA) where: Base-Base interactions energy: -190.702 where: short stacking energy: -80.997 Base-Backbone interact. energy: -0.549 local terms energy: -87.071294 where: bonds (distance) C4'-P energy: -20.234 bonds (distance) P-C4' energy: -19.046 flat angles C4'-P-C4' energy: -18.767 flat angles P-C4'-P energy: -8.266 tors. eta vs tors. theta energy: -20.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -241.538583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.538583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.538583 (E_RNA) where: Base-Base interactions energy: -154.668 where: short stacking energy: -77.177 Base-Backbone interact. energy: -0.000 local terms energy: -86.870566 where: bonds (distance) C4'-P energy: -15.978 bonds (distance) P-C4' energy: -16.228 flat angles C4'-P-C4' energy: -18.066 flat angles P-C4'-P energy: -12.340 tors. eta vs tors. theta energy: -24.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -243.689701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.689701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.689701 (E_RNA) where: Base-Base interactions energy: -163.119 where: short stacking energy: -72.846 Base-Backbone interact. energy: -0.685 local terms energy: -79.885070 where: bonds (distance) C4'-P energy: -18.863 bonds (distance) P-C4' energy: -18.128 flat angles C4'-P-C4' energy: -16.018 flat angles P-C4'-P energy: -12.635 tors. eta vs tors. theta energy: -14.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -229.984727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.984727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.984727 (E_RNA) where: Base-Base interactions energy: -149.424 where: short stacking energy: -78.441 Base-Backbone interact. energy: -0.600 local terms energy: -79.960925 where: bonds (distance) C4'-P energy: -15.800 bonds (distance) P-C4' energy: -15.875 flat angles C4'-P-C4' energy: -16.122 flat angles P-C4'-P energy: -9.876 tors. eta vs tors. theta energy: -22.288 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: 6, replica: 10 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -219.288125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.288125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.288125 (E_RNA) where: Base-Base interactions energy: -147.607 where: short stacking energy: -66.898 Base-Backbone interact. energy: -0.243 local terms energy: -71.438442 where: bonds (distance) C4'-P energy: -16.272 bonds (distance) P-C4' energy: -18.841 flat angles C4'-P-C4' energy: -16.451 flat angles P-C4'-P energy: -6.595 tors. eta vs tors. theta energy: -13.280 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: 8 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -210.178312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.178312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.178312 (E_RNA) where: Base-Base interactions energy: -148.373 where: short stacking energy: -71.117 Base-Backbone interact. energy: -0.647 local terms energy: -61.158961 where: bonds (distance) C4'-P energy: -13.258 bonds (distance) P-C4' energy: -13.553 flat angles C4'-P-C4' energy: -15.966 flat angles P-C4'-P energy: -7.640 tors. eta vs tors. theta energy: -10.742 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: 2 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -207.357711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.357711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.357711 (E_RNA) where: Base-Base interactions energy: -147.106 where: short stacking energy: -64.992 Base-Backbone interact. energy: -0.184 local terms energy: -60.068027 where: bonds (distance) C4'-P energy: -11.197 bonds (distance) P-C4' energy: -15.092 flat angles C4'-P-C4' energy: -10.006 flat angles P-C4'-P energy: -8.634 tors. eta vs tors. theta energy: -15.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -141.468331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.468331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.468331 (E_RNA) where: Base-Base interactions energy: -72.129 where: short stacking energy: -45.437 Base-Backbone interact. energy: -0.148 local terms energy: -69.191564 where: bonds (distance) C4'-P energy: -15.234 bonds (distance) P-C4' energy: -14.537 flat angles C4'-P-C4' energy: -13.694 flat angles P-C4'-P energy: -13.376 tors. eta vs tors. theta energy: -12.350 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: 1 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -179.656190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.656190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.656190 (E_RNA) where: Base-Base interactions energy: -116.702 where: short stacking energy: -62.160 Base-Backbone interact. energy: -1.383 local terms energy: -61.571232 where: bonds (distance) C4'-P energy: -13.085 bonds (distance) P-C4' energy: -11.052 flat angles C4'-P-C4' energy: -13.415 flat angles P-C4'-P energy: -11.673 tors. eta vs tors. theta energy: -12.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -285.314781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.314781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.314781 (E_RNA) where: Base-Base interactions energy: -204.176 where: short stacking energy: -97.230 Base-Backbone interact. energy: 0.459 local terms energy: -81.598033 where: bonds (distance) C4'-P energy: -14.464 bonds (distance) P-C4' energy: -16.814 flat angles C4'-P-C4' energy: -13.689 flat angles P-C4'-P energy: -13.102 tors. eta vs tors. theta energy: -23.528 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: 6 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -261.213681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.213681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.213681 (E_RNA) where: Base-Base interactions energy: -171.665 where: short stacking energy: -90.328 Base-Backbone interact. energy: -0.008 local terms energy: -89.541000 where: bonds (distance) C4'-P energy: -18.678 bonds (distance) P-C4' energy: -17.451 flat angles C4'-P-C4' energy: -15.614 flat angles P-C4'-P energy: -13.455 tors. eta vs tors. theta energy: -24.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -285.364736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.364736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.364736 (E_RNA) where: Base-Base interactions energy: -203.361 where: short stacking energy: -90.240 Base-Backbone interact. energy: -1.387 local terms energy: -80.616877 where: bonds (distance) C4'-P energy: -16.666 bonds (distance) P-C4' energy: -13.490 flat angles C4'-P-C4' energy: -19.544 flat angles P-C4'-P energy: -10.233 tors. eta vs tors. theta energy: -20.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -257.647992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.647992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.647992 (E_RNA) where: Base-Base interactions energy: -183.994 where: short stacking energy: -84.257 Base-Backbone interact. energy: -0.990 local terms energy: -72.663810 where: bonds (distance) C4'-P energy: -14.121 bonds (distance) P-C4' energy: -13.225 flat angles C4'-P-C4' energy: -18.342 flat angles P-C4'-P energy: -9.017 tors. eta vs tors. theta energy: -17.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -220.486395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.486395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.486395 (E_RNA) where: Base-Base interactions energy: -149.294 where: short stacking energy: -68.205 Base-Backbone interact. energy: -0.654 local terms energy: -70.538234 where: bonds (distance) C4'-P energy: -12.402 bonds (distance) P-C4' energy: -14.122 flat angles C4'-P-C4' energy: -17.760 flat angles P-C4'-P energy: -10.815 tors. eta vs tors. theta energy: -15.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -227.577495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.577495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.577495 (E_RNA) where: Base-Base interactions energy: -151.607 where: short stacking energy: -72.895 Base-Backbone interact. energy: -0.054 local terms energy: -75.916897 where: bonds (distance) C4'-P energy: -17.528 bonds (distance) P-C4' energy: -13.470 flat angles C4'-P-C4' energy: -15.996 flat angles P-C4'-P energy: -10.795 tors. eta vs tors. theta energy: -18.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -214.391047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.391047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.391047 (E_RNA) where: Base-Base interactions energy: -148.005 where: short stacking energy: -61.783 Base-Backbone interact. energy: -0.114 local terms energy: -66.271774 where: bonds (distance) C4'-P energy: -18.065 bonds (distance) P-C4' energy: -14.959 flat angles C4'-P-C4' energy: -12.905 flat angles P-C4'-P energy: -8.256 tors. eta vs tors. theta energy: -12.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -136.354672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.354672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.354672 (E_RNA) where: Base-Base interactions energy: -72.472 where: short stacking energy: -43.679 Base-Backbone interact. energy: -0.194 local terms energy: -63.687968 where: bonds (distance) C4'-P energy: -16.720 bonds (distance) P-C4' energy: -19.299 flat angles C4'-P-C4' energy: -11.016 flat angles P-C4'-P energy: -8.402 tors. eta vs tors. theta energy: -8.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -206.331008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.331008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.331008 (E_RNA) where: Base-Base interactions energy: -148.021 where: short stacking energy: -73.640 Base-Backbone interact. energy: -0.093 local terms energy: -58.216903 where: bonds (distance) C4'-P energy: -14.577 bonds (distance) P-C4' energy: -13.947 flat angles C4'-P-C4' energy: -8.482 flat angles P-C4'-P energy: -8.381 tors. eta vs tors. theta energy: -12.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -174.454048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.454048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.454048 (E_RNA) where: Base-Base interactions energy: -107.444 where: short stacking energy: -50.760 Base-Backbone interact. energy: -0.421 local terms energy: -66.589237 where: bonds (distance) C4'-P energy: -17.381 bonds (distance) P-C4' energy: -13.849 flat angles C4'-P-C4' energy: -9.142 flat angles P-C4'-P energy: -10.195 tors. eta vs tors. theta energy: -16.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -288.415775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.415775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.415775 (E_RNA) where: Base-Base interactions energy: -204.712 where: short stacking energy: -92.158 Base-Backbone interact. energy: -0.006 local terms energy: -83.698099 where: bonds (distance) C4'-P energy: -17.468 bonds (distance) P-C4' energy: -18.088 flat angles C4'-P-C4' energy: -19.572 flat angles P-C4'-P energy: -6.611 tors. eta vs tors. theta energy: -21.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -249.866047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.866047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.866047 (E_RNA) where: Base-Base interactions energy: -157.319 where: short stacking energy: -77.275 Base-Backbone interact. energy: -0.006 local terms energy: -92.541103 where: bonds (distance) C4'-P energy: -18.760 bonds (distance) P-C4' energy: -18.580 flat angles C4'-P-C4' energy: -18.922 flat angles P-C4'-P energy: -14.414 tors. eta vs tors. theta energy: -21.864 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: 4 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -260.923453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.923453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.923453 (E_RNA) where: Base-Base interactions energy: -196.463 where: short stacking energy: -82.908 Base-Backbone interact. energy: -0.461 local terms energy: -63.999326 where: bonds (distance) C4'-P energy: -10.032 bonds (distance) P-C4' energy: -14.108 flat angles C4'-P-C4' energy: -18.279 flat angles P-C4'-P energy: -0.951 tors. eta vs tors. theta energy: -20.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -268.721568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.721568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.721568 (E_RNA) where: Base-Base interactions energy: -189.581 where: short stacking energy: -88.477 Base-Backbone interact. energy: -0.536 local terms energy: -78.604985 where: bonds (distance) C4'-P energy: -14.594 bonds (distance) P-C4' energy: -19.433 flat angles C4'-P-C4' energy: -13.139 flat angles P-C4'-P energy: -11.864 tors. eta vs tors. theta energy: -19.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -236.297544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.297544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.297544 (E_RNA) where: Base-Base interactions energy: -158.502 where: short stacking energy: -71.458 Base-Backbone interact. energy: -0.982 local terms energy: -76.813753 where: bonds (distance) C4'-P energy: -14.740 bonds (distance) P-C4' energy: -17.210 flat angles C4'-P-C4' energy: -15.254 flat angles P-C4'-P energy: -9.443 tors. eta vs tors. theta energy: -20.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -233.357917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.357917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.357917 (E_RNA) where: Base-Base interactions energy: -159.897 where: short stacking energy: -74.198 Base-Backbone interact. energy: -0.617 local terms energy: -72.843489 where: bonds (distance) C4'-P energy: -13.001 bonds (distance) P-C4' energy: -14.861 flat angles C4'-P-C4' energy: -15.874 flat angles P-C4'-P energy: -10.526 tors. eta vs tors. theta energy: -18.581 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: 8 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -219.756691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.756691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.756691 (E_RNA) where: Base-Base interactions energy: -149.408 where: short stacking energy: -68.039 Base-Backbone interact. energy: -0.292 local terms energy: -70.057119 where: bonds (distance) C4'-P energy: -13.959 bonds (distance) P-C4' energy: -12.750 flat angles C4'-P-C4' energy: -16.460 flat angles P-C4'-P energy: -10.851 tors. eta vs tors. theta energy: -16.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -102.272345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.272345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.272345 (E_RNA) where: Base-Base interactions energy: -41.018 where: short stacking energy: -36.465 Base-Backbone interact. energy: -0.079 local terms energy: -61.175416 where: bonds (distance) C4'-P energy: -16.728 bonds (distance) P-C4' energy: -17.363 flat angles C4'-P-C4' energy: -12.094 flat angles P-C4'-P energy: -10.399 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: 9, replica: 2 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -221.805036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.805036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.805036 (E_RNA) where: Base-Base interactions energy: -155.965 where: short stacking energy: -74.945 Base-Backbone interact. energy: -0.021 local terms energy: -65.818347 where: bonds (distance) C4'-P energy: -8.810 bonds (distance) P-C4' energy: -15.456 flat angles C4'-P-C4' energy: -16.419 flat angles P-C4'-P energy: -9.133 tors. eta vs tors. theta energy: -16.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -160.226707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.226707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.226707 (E_RNA) where: Base-Base interactions energy: -101.778 where: short stacking energy: -50.319 Base-Backbone interact. energy: -0.288 local terms energy: -58.160637 where: bonds (distance) C4'-P energy: -14.688 bonds (distance) P-C4' energy: -14.294 flat angles C4'-P-C4' energy: -19.009 flat angles P-C4'-P energy: -7.324 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: 1, replica: 7 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -282.433832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.433832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.433832 (E_RNA) where: Base-Base interactions energy: -201.785 where: short stacking energy: -89.200 Base-Backbone interact. energy: -0.375 local terms energy: -80.273698 where: bonds (distance) C4'-P energy: -12.020 bonds (distance) P-C4' energy: -14.175 flat angles C4'-P-C4' energy: -18.511 flat angles P-C4'-P energy: -14.347 tors. eta vs tors. theta energy: -21.220 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: 4 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -285.463382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.463382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.463382 (E_RNA) where: Base-Base interactions energy: -204.852 where: short stacking energy: -87.424 Base-Backbone interact. energy: -0.529 local terms energy: -80.082253 where: bonds (distance) C4'-P energy: -14.211 bonds (distance) P-C4' energy: -19.332 flat angles C4'-P-C4' energy: -18.167 flat angles P-C4'-P energy: -9.780 tors. eta vs tors. theta energy: -18.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -256.073670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.073670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.073670 (E_RNA) where: Base-Base interactions energy: -163.577 where: short stacking energy: -83.680 Base-Backbone interact. energy: -0.002 local terms energy: -92.495453 where: bonds (distance) C4'-P energy: -18.305 bonds (distance) P-C4' energy: -19.166 flat angles C4'-P-C4' energy: -17.992 flat angles P-C4'-P energy: -14.891 tors. eta vs tors. theta energy: -22.141 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: 3 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -271.085106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.085106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.085106 (E_RNA) where: Base-Base interactions energy: -187.724 where: short stacking energy: -89.724 Base-Backbone interact. energy: -1.105 local terms energy: -82.255760 where: bonds (distance) C4'-P energy: -16.715 bonds (distance) P-C4' energy: -12.946 flat angles C4'-P-C4' energy: -18.358 flat angles P-C4'-P energy: -9.893 tors. eta vs tors. theta energy: -24.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -237.091853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.091853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.091853 (E_RNA) where: Base-Base interactions energy: -150.986 where: short stacking energy: -71.842 Base-Backbone interact. energy: -0.503 local terms energy: -85.603308 where: bonds (distance) C4'-P energy: -18.926 bonds (distance) P-C4' energy: -19.119 flat angles C4'-P-C4' energy: -17.160 flat angles P-C4'-P energy: -10.965 tors. eta vs tors. theta energy: -19.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -213.042613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.042613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.042613 (E_RNA) where: Base-Base interactions energy: -142.787 where: short stacking energy: -66.484 Base-Backbone interact. energy: -0.165 local terms energy: -70.090598 where: bonds (distance) C4'-P energy: -15.821 bonds (distance) P-C4' energy: -13.362 flat angles C4'-P-C4' energy: -17.222 flat angles P-C4'-P energy: -13.549 tors. eta vs tors. theta energy: -10.135 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: 5 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -228.385178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.385178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.385178 (E_RNA) where: Base-Base interactions energy: -151.397 where: short stacking energy: -72.443 Base-Backbone interact. energy: -0.007 local terms energy: -76.981255 where: bonds (distance) C4'-P energy: -16.635 bonds (distance) P-C4' energy: -15.728 flat angles C4'-P-C4' energy: -19.803 flat angles P-C4'-P energy: -8.368 tors. eta vs tors. theta energy: -16.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -205.428782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.428782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.428782 (E_RNA) where: Base-Base interactions energy: -136.267 where: short stacking energy: -66.472 Base-Backbone interact. energy: -0.099 local terms energy: -69.063168 where: bonds (distance) C4'-P energy: -16.339 bonds (distance) P-C4' energy: -10.929 flat angles C4'-P-C4' energy: -16.244 flat angles P-C4'-P energy: -9.104 tors. eta vs tors. theta energy: -16.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -115.034670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.034670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.034670 (E_RNA) where: Base-Base interactions energy: -58.148 where: short stacking energy: -35.374 Base-Backbone interact. energy: -0.374 local terms energy: -56.512766 where: bonds (distance) C4'-P energy: -17.140 bonds (distance) P-C4' energy: -16.645 flat angles C4'-P-C4' energy: -14.071 flat angles P-C4'-P energy: -4.916 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: 1 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -152.583524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.583524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.583524 (E_RNA) where: Base-Base interactions energy: -98.562 where: short stacking energy: -48.223 Base-Backbone interact. energy: -0.099 local terms energy: -53.922606 where: bonds (distance) C4'-P energy: -11.860 bonds (distance) P-C4' energy: -15.858 flat angles C4'-P-C4' energy: -9.967 flat angles P-C4'-P energy: -7.811 tors. eta vs tors. theta energy: -8.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -286.309739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.309739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.309739 (E_RNA) where: Base-Base interactions energy: -193.102 where: short stacking energy: -90.322 Base-Backbone interact. energy: -0.848 local terms energy: -92.359783 where: bonds (distance) C4'-P energy: -16.619 bonds (distance) P-C4' energy: -22.038 flat angles C4'-P-C4' energy: -19.696 flat angles P-C4'-P energy: -11.708 tors. eta vs tors. theta energy: -22.299 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: 4 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -282.783426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.783426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.783426 (E_RNA) where: Base-Base interactions energy: -205.115 where: short stacking energy: -91.420 Base-Backbone interact. energy: -0.235 local terms energy: -77.433795 where: bonds (distance) C4'-P energy: -12.763 bonds (distance) P-C4' energy: -20.205 flat angles C4'-P-C4' energy: -15.773 flat angles P-C4'-P energy: -7.177 tors. eta vs tors. theta energy: -21.515 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: 3, replica: 3 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -274.889893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.889893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.889893 (E_RNA) where: Base-Base interactions energy: -187.116 where: short stacking energy: -75.109 Base-Backbone interact. energy: -1.414 local terms energy: -86.359294 where: bonds (distance) C4'-P energy: -16.412 bonds (distance) P-C4' energy: -15.479 flat angles C4'-P-C4' energy: -19.843 flat angles P-C4'-P energy: -14.046 tors. eta vs tors. theta energy: -20.579 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: 6 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -248.951410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.951410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.951410 (E_RNA) where: Base-Base interactions energy: -166.003 where: short stacking energy: -88.012 Base-Backbone interact. energy: -0.091 local terms energy: -82.857536 where: bonds (distance) C4'-P energy: -16.869 bonds (distance) P-C4' energy: -17.275 flat angles C4'-P-C4' energy: -18.896 flat angles P-C4'-P energy: -8.434 tors. eta vs tors. theta energy: -21.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -239.110275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.110275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.110275 (E_RNA) where: Base-Base interactions energy: -158.336 where: short stacking energy: -81.091 Base-Backbone interact. energy: -0.574 local terms energy: -80.200425 where: bonds (distance) C4'-P energy: -16.313 bonds (distance) P-C4' energy: -17.563 flat angles C4'-P-C4' energy: -17.815 flat angles P-C4'-P energy: -11.880 tors. eta vs tors. theta energy: -16.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -213.551275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.551275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.551275 (E_RNA) where: Base-Base interactions energy: -143.558 where: short stacking energy: -64.218 Base-Backbone interact. energy: -0.445 local terms energy: -69.548045 where: bonds (distance) C4'-P energy: -16.343 bonds (distance) P-C4' energy: -15.445 flat angles C4'-P-C4' energy: -16.591 flat angles P-C4'-P energy: -7.443 tors. eta vs tors. theta energy: -13.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -218.596508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.596508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.596508 (E_RNA) where: Base-Base interactions energy: -147.603 where: short stacking energy: -64.436 Base-Backbone interact. energy: -0.176 local terms energy: -70.816974 where: bonds (distance) C4'-P energy: -17.001 bonds (distance) P-C4' energy: -12.977 flat angles C4'-P-C4' energy: -17.862 flat angles P-C4'-P energy: -6.951 tors. eta vs tors. theta energy: -16.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -215.672486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.672486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.672486 (E_RNA) where: Base-Base interactions energy: -155.712 where: short stacking energy: -71.727 Base-Backbone interact. energy: -0.237 local terms energy: -59.723538 where: bonds (distance) C4'-P energy: -13.072 bonds (distance) P-C4' energy: -14.805 flat angles C4'-P-C4' energy: -10.197 flat angles P-C4'-P energy: -6.857 tors. eta vs tors. theta energy: -14.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -160.241604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.241604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.241604 (E_RNA) where: Base-Base interactions energy: -104.021 where: short stacking energy: -55.574 Base-Backbone interact. energy: -0.467 local terms energy: -55.753510 where: bonds (distance) C4'-P energy: -14.124 bonds (distance) P-C4' energy: -14.137 flat angles C4'-P-C4' energy: -8.964 flat angles P-C4'-P energy: -10.174 tors. eta vs tors. theta energy: -8.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -108.653228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.653228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.653228 (E_RNA) where: Base-Base interactions energy: -54.901 where: short stacking energy: -35.474 Base-Backbone interact. energy: 0.233 local terms energy: -53.985025 where: bonds (distance) C4'-P energy: -11.689 bonds (distance) P-C4' energy: -16.617 flat angles C4'-P-C4' energy: -13.522 flat angles P-C4'-P energy: -11.215 tors. eta vs tors. theta energy: -0.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -287.022539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.022539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.022539 (E_RNA) where: Base-Base interactions energy: -206.470 where: short stacking energy: -96.816 Base-Backbone interact. energy: -0.138 local terms energy: -80.414460 where: bonds (distance) C4'-P energy: -17.336 bonds (distance) P-C4' energy: -17.009 flat angles C4'-P-C4' energy: -19.832 flat angles P-C4'-P energy: -5.652 tors. eta vs tors. theta energy: -20.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -283.982141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.982141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.982141 (E_RNA) where: Base-Base interactions energy: -193.960 where: short stacking energy: -86.573 Base-Backbone interact. energy: -2.778 local terms energy: -87.243508 where: bonds (distance) C4'-P energy: -17.742 bonds (distance) P-C4' energy: -16.899 flat angles C4'-P-C4' energy: -20.049 flat angles P-C4'-P energy: -11.524 tors. eta vs tors. theta energy: -21.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -274.981626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.981626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.981626 (E_RNA) where: Base-Base interactions energy: -190.296 where: short stacking energy: -88.501 Base-Backbone interact. energy: -0.974 local terms energy: -83.711571 where: bonds (distance) C4'-P energy: -15.055 bonds (distance) P-C4' energy: -19.715 flat angles C4'-P-C4' energy: -17.077 flat angles P-C4'-P energy: -11.366 tors. eta vs tors. theta energy: -20.500 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: 8 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -239.027090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.027090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.027090 (E_RNA) where: Base-Base interactions energy: -161.484 where: short stacking energy: -77.804 Base-Backbone interact. energy: 0.267 local terms energy: -77.810084 where: bonds (distance) C4'-P energy: -12.436 bonds (distance) P-C4' energy: -18.358 flat angles C4'-P-C4' energy: -16.052 flat angles P-C4'-P energy: -10.006 tors. eta vs tors. theta energy: -20.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -231.046377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.046377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.046377 (E_RNA) where: Base-Base interactions energy: -150.351 where: short stacking energy: -82.568 Base-Backbone interact. energy: -0.249 local terms energy: -80.445925 where: bonds (distance) C4'-P energy: -13.680 bonds (distance) P-C4' energy: -19.454 flat angles C4'-P-C4' energy: -17.371 flat angles P-C4'-P energy: -13.479 tors. eta vs tors. theta energy: -16.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -221.756680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.756680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.756680 (E_RNA) where: Base-Base interactions energy: -146.871 where: short stacking energy: -69.895 Base-Backbone interact. energy: -0.181 local terms energy: -74.704320 where: bonds (distance) C4'-P energy: -17.035 bonds (distance) P-C4' energy: -17.744 flat angles C4'-P-C4' energy: -17.489 flat angles P-C4'-P energy: -8.872 tors. eta vs tors. theta energy: -13.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -217.946777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.946777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.946777 (E_RNA) where: Base-Base interactions energy: -148.477 where: short stacking energy: -76.487 Base-Backbone interact. energy: -0.107 local terms energy: -69.362745 where: bonds (distance) C4'-P energy: -13.295 bonds (distance) P-C4' energy: -14.037 flat angles C4'-P-C4' energy: -14.537 flat angles P-C4'-P energy: -11.070 tors. eta vs tors. theta energy: -16.423 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: 113 Temperature: 1.250000 Total energy: -222.696963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.696963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.696963 (E_RNA) where: Base-Base interactions energy: -162.262 where: short stacking energy: -83.908 Base-Backbone interact. energy: -0.056 local terms energy: -60.378509 where: bonds (distance) C4'-P energy: -8.285 bonds (distance) P-C4' energy: -17.035 flat angles C4'-P-C4' energy: -12.568 flat angles P-C4'-P energy: -5.367 tors. eta vs tors. theta energy: -17.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -182.577931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.577931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.577931 (E_RNA) where: Base-Base interactions energy: -110.137 where: short stacking energy: -52.492 Base-Backbone interact. energy: -0.202 local terms energy: -72.238708 where: bonds (distance) C4'-P energy: -12.982 bonds (distance) P-C4' energy: -19.989 flat angles C4'-P-C4' energy: -15.360 flat angles P-C4'-P energy: -11.271 tors. eta vs tors. theta energy: -12.636 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: 9 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -95.426398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.426398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.426398 (E_RNA) where: Base-Base interactions energy: -39.572 where: short stacking energy: -32.870 Base-Backbone interact. energy: -0.468 local terms energy: -55.386417 where: bonds (distance) C4'-P energy: -13.808 bonds (distance) P-C4' energy: -16.850 flat angles C4'-P-C4' energy: -11.793 flat angles P-C4'-P energy: -11.083 tors. eta vs tors. theta energy: -1.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -274.409935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.409935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.409935 (E_RNA) where: Base-Base interactions energy: -189.149 where: short stacking energy: -75.172 Base-Backbone interact. energy: -1.305 local terms energy: -83.956059 where: bonds (distance) C4'-P energy: -17.120 bonds (distance) P-C4' energy: -18.632 flat angles C4'-P-C4' energy: -17.548 flat angles P-C4'-P energy: -13.363 tors. eta vs tors. theta energy: -17.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -279.937942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.937942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.937942 (E_RNA) where: Base-Base interactions energy: -194.075 where: short stacking energy: -83.997 Base-Backbone interact. energy: -1.464 local terms energy: -84.399472 where: bonds (distance) C4'-P energy: -16.050 bonds (distance) P-C4' energy: -18.991 flat angles C4'-P-C4' energy: -16.262 flat angles P-C4'-P energy: -11.369 tors. eta vs tors. theta energy: -21.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -281.441856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.441856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.441856 (E_RNA) where: Base-Base interactions energy: -199.389 where: short stacking energy: -84.623 Base-Backbone interact. energy: -1.276 local terms energy: -80.776796 where: bonds (distance) C4'-P energy: -17.601 bonds (distance) P-C4' energy: -14.456 flat angles C4'-P-C4' energy: -17.546 flat angles P-C4'-P energy: -8.769 tors. eta vs tors. theta energy: -22.405 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: 8 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -238.243356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.243356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.243356 (E_RNA) where: Base-Base interactions energy: -160.129 where: short stacking energy: -84.649 Base-Backbone interact. energy: -0.055 local terms energy: -78.059705 where: bonds (distance) C4'-P energy: -15.423 bonds (distance) P-C4' energy: -15.999 flat angles C4'-P-C4' energy: -19.615 flat angles P-C4'-P energy: -6.245 tors. eta vs tors. theta energy: -20.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -221.710794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.710794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.710794 (E_RNA) where: Base-Base interactions energy: -151.725 where: short stacking energy: -73.684 Base-Backbone interact. energy: -0.052 local terms energy: -69.932976 where: bonds (distance) C4'-P energy: -11.610 bonds (distance) P-C4' energy: -13.833 flat angles C4'-P-C4' energy: -16.311 flat angles P-C4'-P energy: -8.237 tors. eta vs tors. theta energy: -19.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -230.566776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.566776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.566776 (E_RNA) where: Base-Base interactions energy: -160.109 where: short stacking energy: -74.173 Base-Backbone interact. energy: -0.557 local terms energy: -69.900481 where: bonds (distance) C4'-P energy: -11.074 bonds (distance) P-C4' energy: -13.857 flat angles C4'-P-C4' energy: -13.761 flat angles P-C4'-P energy: -12.007 tors. eta vs tors. theta energy: -19.200 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: 5 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -209.731603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.731603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.731603 (E_RNA) where: Base-Base interactions energy: -144.841 where: short stacking energy: -68.582 Base-Backbone interact. energy: -0.187 local terms energy: -64.704158 where: bonds (distance) C4'-P energy: -18.962 bonds (distance) P-C4' energy: -14.279 flat angles C4'-P-C4' energy: -14.155 flat angles P-C4'-P energy: -6.209 tors. eta vs tors. theta energy: -11.099 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: 8, replica: 2 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -222.274810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.274810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.274810 (E_RNA) where: Base-Base interactions energy: -150.998 where: short stacking energy: -65.910 Base-Backbone interact. energy: -0.618 local terms energy: -70.658086 where: bonds (distance) C4'-P energy: -17.162 bonds (distance) P-C4' energy: -17.154 flat angles C4'-P-C4' energy: -16.200 flat angles P-C4'-P energy: -5.635 tors. eta vs tors. theta energy: -14.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -162.168587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.168587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.168587 (E_RNA) where: Base-Base interactions energy: -101.258 where: short stacking energy: -51.720 Base-Backbone interact. energy: -0.325 local terms energy: -60.584984 where: bonds (distance) C4'-P energy: -12.803 bonds (distance) P-C4' energy: -17.445 flat angles C4'-P-C4' energy: -13.678 flat angles P-C4'-P energy: -7.176 tors. eta vs tors. theta energy: -9.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -95.410697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.410697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.410697 (E_RNA) where: Base-Base interactions energy: -40.585 where: short stacking energy: -33.674 Base-Backbone interact. energy: -0.466 local terms energy: -54.360120 where: bonds (distance) C4'-P energy: -17.929 bonds (distance) P-C4' energy: -16.264 flat angles C4'-P-C4' energy: -10.857 flat angles P-C4'-P energy: -6.418 tors. eta vs tors. theta energy: -2.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -289.680851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.680851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.680851 (E_RNA) where: Base-Base interactions energy: -210.563 where: short stacking energy: -84.285 Base-Backbone interact. energy: -0.731 local terms energy: -78.386875 where: bonds (distance) C4'-P energy: -15.516 bonds (distance) P-C4' energy: -17.906 flat angles C4'-P-C4' energy: -13.503 flat angles P-C4'-P energy: -11.644 tors. eta vs tors. theta energy: -19.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -288.019861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.019861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.019861 (E_RNA) where: Base-Base interactions energy: -206.190 where: short stacking energy: -81.604 Base-Backbone interact. energy: -1.099 local terms energy: -80.730890 where: bonds (distance) C4'-P energy: -19.849 bonds (distance) P-C4' energy: -14.962 flat angles C4'-P-C4' energy: -19.497 flat angles P-C4'-P energy: -7.986 tors. eta vs tors. theta energy: -18.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -276.125139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.125139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.125139 (E_RNA) where: Base-Base interactions energy: -197.014 where: short stacking energy: -90.542 Base-Backbone interact. energy: 1.150 local terms energy: -80.260728 where: bonds (distance) C4'-P energy: -17.519 bonds (distance) P-C4' energy: -17.982 flat angles C4'-P-C4' energy: -18.591 flat angles P-C4'-P energy: -5.848 tors. eta vs tors. theta energy: -20.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -243.447326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.447326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.447326 (E_RNA) where: Base-Base interactions energy: -163.943 where: short stacking energy: -79.937 Base-Backbone interact. energy: -0.079 local terms energy: -79.425258 where: bonds (distance) C4'-P energy: -16.881 bonds (distance) P-C4' energy: -17.706 flat angles C4'-P-C4' energy: -16.931 flat angles P-C4'-P energy: -7.239 tors. eta vs tors. theta energy: -20.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -232.395274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.395274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.395274 (E_RNA) where: Base-Base interactions energy: -154.094 where: short stacking energy: -80.490 Base-Backbone interact. energy: -0.026 local terms energy: -78.274938 where: bonds (distance) C4'-P energy: -15.307 bonds (distance) P-C4' energy: -13.528 flat angles C4'-P-C4' energy: -18.300 flat angles P-C4'-P energy: -11.415 tors. eta vs tors. theta energy: -19.725 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: 5 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -230.811071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.811071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.811071 (E_RNA) where: Base-Base interactions energy: -157.707 where: short stacking energy: -72.560 Base-Backbone interact. energy: -0.052 local terms energy: -73.051415 where: bonds (distance) C4'-P energy: -16.473 bonds (distance) P-C4' energy: -18.305 flat angles C4'-P-C4' energy: -12.759 flat angles P-C4'-P energy: -8.081 tors. eta vs tors. theta energy: -17.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -226.259796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.259796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.259796 (E_RNA) where: Base-Base interactions energy: -148.704 where: short stacking energy: -71.172 Base-Backbone interact. energy: -0.807 local terms energy: -76.748423 where: bonds (distance) C4'-P energy: -11.891 bonds (distance) P-C4' energy: -16.309 flat angles C4'-P-C4' energy: -19.822 flat angles P-C4'-P energy: -11.337 tors. eta vs tors. theta energy: -17.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -205.217516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.217516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.217516 (E_RNA) where: Base-Base interactions energy: -141.103 where: short stacking energy: -58.963 Base-Backbone interact. energy: -0.674 local terms energy: -63.440704 where: bonds (distance) C4'-P energy: -17.908 bonds (distance) P-C4' energy: -16.105 flat angles C4'-P-C4' energy: -13.802 flat angles P-C4'-P energy: -5.817 tors. eta vs tors. theta energy: -9.809 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: 1 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -173.057620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.057620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.057620 (E_RNA) where: Base-Base interactions energy: -113.352 where: short stacking energy: -57.651 Base-Backbone interact. energy: -0.167 local terms energy: -59.538524 where: bonds (distance) C4'-P energy: -11.756 bonds (distance) P-C4' energy: -11.817 flat angles C4'-P-C4' energy: -15.236 flat angles P-C4'-P energy: -10.805 tors. eta vs tors. theta energy: -9.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -156.096162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.096162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.096162 (E_RNA) where: Base-Base interactions energy: -106.106 where: short stacking energy: -48.238 Base-Backbone interact. energy: 1.002 local terms energy: -50.992306 where: bonds (distance) C4'-P energy: -8.808 bonds (distance) P-C4' energy: -19.125 flat angles C4'-P-C4' energy: -14.114 flat angles P-C4'-P energy: -6.747 tors. eta vs tors. theta energy: -2.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -290.756782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.756782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.756782 (E_RNA) where: Base-Base interactions energy: -210.055 where: short stacking energy: -87.380 Base-Backbone interact. energy: -0.110 local terms energy: -80.591771 where: bonds (distance) C4'-P energy: -16.156 bonds (distance) P-C4' energy: -17.623 flat angles C4'-P-C4' energy: -18.853 flat angles P-C4'-P energy: -8.105 tors. eta vs tors. theta energy: -19.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -268.629920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.629920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.629920 (E_RNA) where: Base-Base interactions energy: -185.086 where: short stacking energy: -73.792 Base-Backbone interact. energy: -1.477 local terms energy: -82.067180 where: bonds (distance) C4'-P energy: -17.663 bonds (distance) P-C4' energy: -13.616 flat angles C4'-P-C4' energy: -18.066 flat angles P-C4'-P energy: -14.092 tors. eta vs tors. theta energy: -18.629 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: 7 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -276.438330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.438330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.438330 (E_RNA) where: Base-Base interactions energy: -190.560 where: short stacking energy: -87.777 Base-Backbone interact. energy: -1.454 local terms energy: -84.423690 where: bonds (distance) C4'-P energy: -15.420 bonds (distance) P-C4' energy: -16.723 flat angles C4'-P-C4' energy: -16.709 flat angles P-C4'-P energy: -14.381 tors. eta vs tors. theta energy: -21.191 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: 6 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -239.566283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.566283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.566283 (E_RNA) where: Base-Base interactions energy: -162.732 where: short stacking energy: -66.788 Base-Backbone interact. energy: -0.623 local terms energy: -76.211409 where: bonds (distance) C4'-P energy: -14.013 bonds (distance) P-C4' energy: -17.512 flat angles C4'-P-C4' energy: -17.923 flat angles P-C4'-P energy: -12.299 tors. eta vs tors. theta energy: -14.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -222.727293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.727293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.727293 (E_RNA) where: Base-Base interactions energy: -152.220 where: short stacking energy: -69.410 Base-Backbone interact. energy: -1.151 local terms energy: -69.356272 where: bonds (distance) C4'-P energy: -19.249 bonds (distance) P-C4' energy: -11.074 flat angles C4'-P-C4' energy: -16.835 flat angles P-C4'-P energy: -8.440 tors. eta vs tors. theta energy: -13.758 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: 6, replica: 8 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -238.160003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.160003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.160003 (E_RNA) where: Base-Base interactions energy: -162.841 where: short stacking energy: -81.946 Base-Backbone interact. energy: 2.890 local terms energy: -78.209773 where: bonds (distance) C4'-P energy: -16.396 bonds (distance) P-C4' energy: -16.230 flat angles C4'-P-C4' energy: -17.478 flat angles P-C4'-P energy: -10.831 tors. eta vs tors. theta energy: -17.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -221.459557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.459557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.459557 (E_RNA) where: Base-Base interactions energy: -144.566 where: short stacking energy: -77.301 Base-Backbone interact. energy: -0.004 local terms energy: -76.889014 where: bonds (distance) C4'-P energy: -14.236 bonds (distance) P-C4' energy: -17.546 flat angles C4'-P-C4' energy: -17.558 flat angles P-C4'-P energy: -7.053 tors. eta vs tors. theta energy: -20.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -221.938881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.938881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.938881 (E_RNA) where: Base-Base interactions energy: -147.468 where: short stacking energy: -72.859 Base-Backbone interact. energy: -0.235 local terms energy: -74.235504 where: bonds (distance) C4'-P energy: -15.337 bonds (distance) P-C4' energy: -13.901 flat angles C4'-P-C4' energy: -21.558 flat angles P-C4'-P energy: -7.766 tors. eta vs tors. theta energy: -15.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -188.150137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.150137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.150137 (E_RNA) where: Base-Base interactions energy: -112.662 where: short stacking energy: -57.317 Base-Backbone interact. energy: -0.067 local terms energy: -75.421100 where: bonds (distance) C4'-P energy: -19.625 bonds (distance) P-C4' energy: -17.586 flat angles C4'-P-C4' energy: -15.780 flat angles P-C4'-P energy: -10.132 tors. eta vs tors. theta energy: -12.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -150.155006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.155006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.155006 (E_RNA) where: Base-Base interactions energy: -101.857 where: short stacking energy: -50.248 Base-Backbone interact. energy: -0.099 local terms energy: -48.199033 where: bonds (distance) C4'-P energy: -13.793 bonds (distance) P-C4' energy: -2.996 flat angles C4'-P-C4' energy: -11.264 flat angles P-C4'-P energy: -12.156 tors. eta vs tors. theta energy: -7.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -297.710771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.710771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.710771 (E_RNA) where: Base-Base interactions energy: -206.674 where: short stacking energy: -91.040 Base-Backbone interact. energy: -0.634 local terms energy: -90.403341 where: bonds (distance) C4'-P energy: -19.432 bonds (distance) P-C4' energy: -20.810 flat angles C4'-P-C4' energy: -15.368 flat angles P-C4'-P energy: -12.143 tors. eta vs tors. theta energy: -22.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -276.662908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.662908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.662908 (E_RNA) where: Base-Base interactions energy: -194.546 where: short stacking energy: -90.953 Base-Backbone interact. energy: 0.505 local terms energy: -82.622443 where: bonds (distance) C4'-P energy: -19.237 bonds (distance) P-C4' energy: -16.464 flat angles C4'-P-C4' energy: -16.962 flat angles P-C4'-P energy: -10.548 tors. eta vs tors. theta energy: -19.412 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: 3, replica: 3 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -269.941170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.941170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.941170 (E_RNA) where: Base-Base interactions energy: -189.845 where: short stacking energy: -83.531 Base-Backbone interact. energy: -1.225 local terms energy: -78.870503 where: bonds (distance) C4'-P energy: -17.240 bonds (distance) P-C4' energy: -19.516 flat angles C4'-P-C4' energy: -14.607 flat angles P-C4'-P energy: -8.161 tors. eta vs tors. theta energy: -19.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -232.216858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.216858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.216858 (E_RNA) where: Base-Base interactions energy: -151.215 where: short stacking energy: -69.815 Base-Backbone interact. energy: -0.449 local terms energy: -80.553388 where: bonds (distance) C4'-P energy: -18.205 bonds (distance) P-C4' energy: -17.920 flat angles C4'-P-C4' energy: -16.019 flat angles P-C4'-P energy: -10.770 tors. eta vs tors. theta energy: -17.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -237.559340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.559340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.559340 (E_RNA) where: Base-Base interactions energy: -160.297 where: short stacking energy: -77.166 Base-Backbone interact. energy: -0.032 local terms energy: -77.230857 where: bonds (distance) C4'-P energy: -14.679 bonds (distance) P-C4' energy: -15.997 flat angles C4'-P-C4' energy: -16.256 flat angles P-C4'-P energy: -11.388 tors. eta vs tors. theta energy: -18.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -242.960539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.960539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.960539 (E_RNA) where: Base-Base interactions energy: -169.367 where: short stacking energy: -86.382 Base-Backbone interact. energy: -0.062 local terms energy: -73.531249 where: bonds (distance) C4'-P energy: -12.634 bonds (distance) P-C4' energy: -16.806 flat angles C4'-P-C4' energy: -18.501 flat angles P-C4'-P energy: -3.443 tors. eta vs tors. theta energy: -22.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -217.828020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.828020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.828020 (E_RNA) where: Base-Base interactions energy: -147.192 where: short stacking energy: -80.173 Base-Backbone interact. energy: -0.558 local terms energy: -70.077321 where: bonds (distance) C4'-P energy: -15.737 bonds (distance) P-C4' energy: -14.591 flat angles C4'-P-C4' energy: -14.781 flat angles P-C4'-P energy: -6.222 tors. eta vs tors. theta energy: -18.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -219.525874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.525874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.525874 (E_RNA) where: Base-Base interactions energy: -155.004 where: short stacking energy: -83.636 Base-Backbone interact. energy: 5.942 local terms energy: -70.463149 where: bonds (distance) C4'-P energy: -12.112 bonds (distance) P-C4' energy: -14.011 flat angles C4'-P-C4' energy: -17.992 flat angles P-C4'-P energy: -5.931 tors. eta vs tors. theta energy: -20.418 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: 9 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -189.033266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.033266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.033266 (E_RNA) where: Base-Base interactions energy: -122.564 where: short stacking energy: -61.137 Base-Backbone interact. energy: -0.210 local terms energy: -66.259033 where: bonds (distance) C4'-P energy: -11.570 bonds (distance) P-C4' energy: -16.294 flat angles C4'-P-C4' energy: -16.162 flat angles P-C4'-P energy: -8.887 tors. eta vs tors. theta energy: -13.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -112.046532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.046532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.046532 (E_RNA) where: Base-Base interactions energy: -61.822 where: short stacking energy: -34.503 Base-Backbone interact. energy: 1.041 local terms energy: -51.264826 where: bonds (distance) C4'-P energy: -12.846 bonds (distance) P-C4' energy: -14.280 flat angles C4'-P-C4' energy: -12.799 flat angles P-C4'-P energy: -10.078 tors. eta vs tors. theta energy: -1.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -285.900428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.900428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.900428 (E_RNA) where: Base-Base interactions energy: -197.202 where: short stacking energy: -92.138 Base-Backbone interact. energy: -0.770 local terms energy: -87.928550 where: bonds (distance) C4'-P energy: -16.624 bonds (distance) P-C4' energy: -20.303 flat angles C4'-P-C4' energy: -17.664 flat angles P-C4'-P energy: -9.936 tors. eta vs tors. theta energy: -23.400 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: 4 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -283.758793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.758793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.758793 (E_RNA) where: Base-Base interactions energy: -205.131 where: short stacking energy: -91.071 Base-Backbone interact. energy: -0.565 local terms energy: -78.062232 where: bonds (distance) C4'-P energy: -13.618 bonds (distance) P-C4' energy: -20.154 flat angles C4'-P-C4' energy: -15.463 flat angles P-C4'-P energy: -8.751 tors. eta vs tors. theta energy: -20.076 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: 3 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -267.803725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.803725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.803725 (E_RNA) where: Base-Base interactions energy: -193.161 where: short stacking energy: -83.483 Base-Backbone interact. energy: -0.503 local terms energy: -74.139917 where: bonds (distance) C4'-P energy: -15.014 bonds (distance) P-C4' energy: -16.296 flat angles C4'-P-C4' energy: -16.450 flat angles P-C4'-P energy: -6.749 tors. eta vs tors. theta energy: -19.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -231.535025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.535025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.535025 (E_RNA) where: Base-Base interactions energy: -154.188 where: short stacking energy: -75.519 Base-Backbone interact. energy: 0.546 local terms energy: -77.892057 where: bonds (distance) C4'-P energy: -14.356 bonds (distance) P-C4' energy: -17.160 flat angles C4'-P-C4' energy: -17.552 flat angles P-C4'-P energy: -8.768 tors. eta vs tors. theta energy: -20.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -232.179438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.179438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.179438 (E_RNA) where: Base-Base interactions energy: -160.161 where: short stacking energy: -84.178 Base-Backbone interact. energy: -0.017 local terms energy: -72.001775 where: bonds (distance) C4'-P energy: -17.775 bonds (distance) P-C4' energy: -15.610 flat angles C4'-P-C4' energy: -16.551 flat angles P-C4'-P energy: -3.859 tors. eta vs tors. theta energy: -18.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -220.819789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.819789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.819789 (E_RNA) where: Base-Base interactions energy: -143.149 where: short stacking energy: -64.236 Base-Backbone interact. energy: -1.482 local terms energy: -76.189459 where: bonds (distance) C4'-P energy: -11.329 bonds (distance) P-C4' energy: -19.063 flat angles C4'-P-C4' energy: -15.749 flat angles P-C4'-P energy: -14.240 tors. eta vs tors. theta energy: -15.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -212.323486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.323486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.323486 (E_RNA) where: Base-Base interactions energy: -139.667 where: short stacking energy: -59.078 Base-Backbone interact. energy: -0.322 local terms energy: -72.334628 where: bonds (distance) C4'-P energy: -16.528 bonds (distance) P-C4' energy: -17.857 flat angles C4'-P-C4' energy: -16.790 flat angles P-C4'-P energy: -11.492 tors. eta vs tors. theta energy: -9.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -211.153942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.153942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.153942 (E_RNA) where: Base-Base interactions energy: -145.503 where: short stacking energy: -55.281 Base-Backbone interact. energy: -0.576 local terms energy: -65.075406 where: bonds (distance) C4'-P energy: -13.405 bonds (distance) P-C4' energy: -16.561 flat angles C4'-P-C4' energy: -12.436 flat angles P-C4'-P energy: -10.341 tors. eta vs tors. theta energy: -12.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -206.239578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.239578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.239578 (E_RNA) where: Base-Base interactions energy: -133.384 where: short stacking energy: -67.624 Base-Backbone interact. energy: -1.006 local terms energy: -71.849536 where: bonds (distance) C4'-P energy: -16.277 bonds (distance) P-C4' energy: -15.808 flat angles C4'-P-C4' energy: -13.178 flat angles P-C4'-P energy: -5.580 tors. eta vs tors. theta energy: -21.007 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: 1 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -111.642387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.642387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.642387 (E_RNA) where: Base-Base interactions energy: -59.171 where: short stacking energy: -28.148 Base-Backbone interact. energy: 0.968 local terms energy: -53.439457 where: bonds (distance) C4'-P energy: -16.363 bonds (distance) P-C4' energy: -17.368 flat angles C4'-P-C4' energy: -13.140 flat angles P-C4'-P energy: -10.769 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: 1, replica: 7 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -288.213653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.213653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.213653 (E_RNA) where: Base-Base interactions energy: -198.965 where: short stacking energy: -97.933 Base-Backbone interact. energy: -0.958 local terms energy: -88.290788 where: bonds (distance) C4'-P energy: -18.206 bonds (distance) P-C4' energy: -18.572 flat angles C4'-P-C4' energy: -20.474 flat angles P-C4'-P energy: -8.232 tors. eta vs tors. theta energy: -22.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -277.799690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.799690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.799690 (E_RNA) where: Base-Base interactions energy: -192.644 where: short stacking energy: -83.152 Base-Backbone interact. energy: -0.006 local terms energy: -85.150438 where: bonds (distance) C4'-P energy: -17.366 bonds (distance) P-C4' energy: -20.849 flat angles C4'-P-C4' energy: -16.861 flat angles P-C4'-P energy: -9.478 tors. eta vs tors. theta energy: -20.596 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: 3, replica: 4 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -278.426154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.426154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.426154 (E_RNA) where: Base-Base interactions energy: -196.112 where: short stacking energy: -84.803 Base-Backbone interact. energy: -0.479 local terms energy: -81.835415 where: bonds (distance) C4'-P energy: -14.285 bonds (distance) P-C4' energy: -17.789 flat angles C4'-P-C4' energy: -18.223 flat angles P-C4'-P energy: -10.548 tors. eta vs tors. theta energy: -20.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -248.039657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.039657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.039657 (E_RNA) where: Base-Base interactions energy: -173.325 where: short stacking energy: -88.265 Base-Backbone interact. energy: -0.311 local terms energy: -74.403730 where: bonds (distance) C4'-P energy: -13.635 bonds (distance) P-C4' energy: -18.545 flat angles C4'-P-C4' energy: -12.191 flat angles P-C4'-P energy: -7.620 tors. eta vs tors. theta energy: -22.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -222.663412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.663412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.663412 (E_RNA) where: Base-Base interactions energy: -153.835 where: short stacking energy: -70.756 Base-Backbone interact. energy: -0.057 local terms energy: -68.770996 where: bonds (distance) C4'-P energy: -16.430 bonds (distance) P-C4' energy: -16.940 flat angles C4'-P-C4' energy: -13.036 flat angles P-C4'-P energy: -6.230 tors. eta vs tors. theta energy: -16.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -218.283796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.283796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.283796 (E_RNA) where: Base-Base interactions energy: -144.893 where: short stacking energy: -67.824 Base-Backbone interact. energy: -0.217 local terms energy: -73.173590 where: bonds (distance) C4'-P energy: -15.452 bonds (distance) P-C4' energy: -11.984 flat angles C4'-P-C4' energy: -16.766 flat angles P-C4'-P energy: -8.923 tors. eta vs tors. theta energy: -20.049 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: 8 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -229.090516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.090516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.090516 (E_RNA) where: Base-Base interactions energy: -154.742 where: short stacking energy: -75.698 Base-Backbone interact. energy: -0.847 local terms energy: -73.501747 where: bonds (distance) C4'-P energy: -14.522 bonds (distance) P-C4' energy: -17.688 flat angles C4'-P-C4' energy: -15.690 flat angles P-C4'-P energy: -10.985 tors. eta vs tors. theta energy: -14.617 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: 9 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -214.908100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.908100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.908100 (E_RNA) where: Base-Base interactions energy: -148.051 where: short stacking energy: -71.220 Base-Backbone interact. energy: -0.037 local terms energy: -66.820040 where: bonds (distance) C4'-P energy: -12.740 bonds (distance) P-C4' energy: -16.260 flat angles C4'-P-C4' energy: -16.455 flat angles P-C4'-P energy: -6.738 tors. eta vs tors. theta energy: -14.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -201.076870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.076870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.076870 (E_RNA) where: Base-Base interactions energy: -130.362 where: short stacking energy: -59.074 Base-Backbone interact. energy: -0.103 local terms energy: -70.611414 where: bonds (distance) C4'-P energy: -11.736 bonds (distance) P-C4' energy: -19.594 flat angles C4'-P-C4' energy: -15.860 flat angles P-C4'-P energy: -8.856 tors. eta vs tors. theta energy: -14.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -103.128209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.128209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.128209 (E_RNA) where: Base-Base interactions energy: -58.054 where: short stacking energy: -32.108 Base-Backbone interact. energy: -0.290 local terms energy: -44.783523 where: bonds (distance) C4'-P energy: -8.129 bonds (distance) P-C4' energy: -14.071 flat angles C4'-P-C4' energy: -14.928 flat angles P-C4'-P energy: -7.191 tors. eta vs tors. theta energy: -0.464 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: 3 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -293.793163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.793163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.793163 (E_RNA) where: Base-Base interactions energy: -208.333 where: short stacking energy: -97.423 Base-Backbone interact. energy: -2.121 local terms energy: -83.338895 where: bonds (distance) C4'-P energy: -17.882 bonds (distance) P-C4' energy: -18.198 flat angles C4'-P-C4' energy: -12.497 flat angles P-C4'-P energy: -11.126 tors. eta vs tors. theta energy: -23.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -291.472179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.472179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.472179 (E_RNA) where: Base-Base interactions energy: -202.891 where: short stacking energy: -96.069 Base-Backbone interact. energy: -0.549 local terms energy: -88.032391 where: bonds (distance) C4'-P energy: -16.856 bonds (distance) P-C4' energy: -19.639 flat angles C4'-P-C4' energy: -19.501 flat angles P-C4'-P energy: -9.501 tors. eta vs tors. theta energy: -22.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -280.773943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.773943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.773943 (E_RNA) where: Base-Base interactions energy: -201.055 where: short stacking energy: -90.338 Base-Backbone interact. energy: -1.453 local terms energy: -78.265344 where: bonds (distance) C4'-P energy: -16.114 bonds (distance) P-C4' energy: -11.730 flat angles C4'-P-C4' energy: -14.291 flat angles P-C4'-P energy: -13.153 tors. eta vs tors. theta energy: -22.978 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: 6 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -239.365958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.365958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.365958 (E_RNA) where: Base-Base interactions energy: -164.222 where: short stacking energy: -80.633 Base-Backbone interact. energy: -0.139 local terms energy: -75.004633 where: bonds (distance) C4'-P energy: -15.959 bonds (distance) P-C4' energy: -15.154 flat angles C4'-P-C4' energy: -15.464 flat angles P-C4'-P energy: -8.004 tors. eta vs tors. theta energy: -20.424 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: 10 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -233.665413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.665413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.665413 (E_RNA) where: Base-Base interactions energy: -149.021 where: short stacking energy: -74.561 Base-Backbone interact. energy: -1.722 local terms energy: -82.921709 where: bonds (distance) C4'-P energy: -18.748 bonds (distance) P-C4' energy: -18.573 flat angles C4'-P-C4' energy: -17.145 flat angles P-C4'-P energy: -10.175 tors. eta vs tors. theta energy: -18.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -225.458327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.458327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.458327 (E_RNA) where: Base-Base interactions energy: -154.371 where: short stacking energy: -74.898 Base-Backbone interact. energy: -0.404 local terms energy: -70.683549 where: bonds (distance) C4'-P energy: -15.014 bonds (distance) P-C4' energy: -16.789 flat angles C4'-P-C4' energy: -12.616 flat angles P-C4'-P energy: -11.179 tors. eta vs tors. theta energy: -15.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -216.789087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.789087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.789087 (E_RNA) where: Base-Base interactions energy: -138.712 where: short stacking energy: -66.676 Base-Backbone interact. energy: -0.369 local terms energy: -77.708256 where: bonds (distance) C4'-P energy: -11.469 bonds (distance) P-C4' energy: -20.433 flat angles C4'-P-C4' energy: -18.151 flat angles P-C4'-P energy: -10.387 tors. eta vs tors. theta energy: -17.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -228.812327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.812327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.812327 (E_RNA) where: Base-Base interactions energy: -159.955 where: short stacking energy: -78.937 Base-Backbone interact. energy: -0.630 local terms energy: -68.227301 where: bonds (distance) C4'-P energy: -16.401 bonds (distance) P-C4' energy: -13.599 flat angles C4'-P-C4' energy: -12.771 flat angles P-C4'-P energy: -7.232 tors. eta vs tors. theta energy: -18.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -203.951061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.951061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.951061 (E_RNA) where: Base-Base interactions energy: -137.066 where: short stacking energy: -67.129 Base-Backbone interact. energy: -0.117 local terms energy: -66.768437 where: bonds (distance) C4'-P energy: -17.871 bonds (distance) P-C4' energy: -14.032 flat angles C4'-P-C4' energy: -17.396 flat angles P-C4'-P energy: -6.676 tors. eta vs tors. theta energy: -10.794 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: 10, replica: 1 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -190.469001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.469001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.469001 (E_RNA) where: Base-Base interactions energy: -121.923 where: short stacking energy: -55.823 Base-Backbone interact. energy: -0.086 local terms energy: -68.460286 where: bonds (distance) C4'-P energy: -14.579 bonds (distance) P-C4' energy: -17.565 flat angles C4'-P-C4' energy: -16.209 flat angles P-C4'-P energy: -10.422 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: 1, replica: 3 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -290.059289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.059289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.059289 (E_RNA) where: Base-Base interactions energy: -197.578 where: short stacking energy: -92.711 Base-Backbone interact. energy: -1.692 local terms energy: -90.789550 where: bonds (distance) C4'-P energy: -18.243 bonds (distance) P-C4' energy: -18.611 flat angles C4'-P-C4' energy: -18.401 flat angles P-C4'-P energy: -12.556 tors. eta vs tors. theta energy: -22.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -282.632096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.632096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.632096 (E_RNA) where: Base-Base interactions energy: -199.821 where: short stacking energy: -93.130 Base-Backbone interact. energy: -0.477 local terms energy: -82.334480 where: bonds (distance) C4'-P energy: -14.467 bonds (distance) P-C4' energy: -17.082 flat angles C4'-P-C4' energy: -19.141 flat angles P-C4'-P energy: -10.589 tors. eta vs tors. theta energy: -21.055 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: 3, replica: 7 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -271.161483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.161483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.161483 (E_RNA) where: Base-Base interactions energy: -185.218 where: short stacking energy: -82.031 Base-Backbone interact. energy: -0.085 local terms energy: -85.858539 where: bonds (distance) C4'-P energy: -17.436 bonds (distance) P-C4' energy: -19.710 flat angles C4'-P-C4' energy: -18.906 flat angles P-C4'-P energy: -11.642 tors. eta vs tors. theta energy: -18.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -247.501674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.501674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.501674 (E_RNA) where: Base-Base interactions energy: -170.476 where: short stacking energy: -82.183 Base-Backbone interact. energy: -0.084 local terms energy: -76.941598 where: bonds (distance) C4'-P energy: -15.301 bonds (distance) P-C4' energy: -19.143 flat angles C4'-P-C4' energy: -20.159 flat angles P-C4'-P energy: -4.630 tors. eta vs tors. theta energy: -17.709 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: 6 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -243.079769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.079769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.079769 (E_RNA) where: Base-Base interactions energy: -172.948 where: short stacking energy: -86.831 Base-Backbone interact. energy: 0.577 local terms energy: -70.708348 where: bonds (distance) C4'-P energy: -13.011 bonds (distance) P-C4' energy: -16.646 flat angles C4'-P-C4' energy: -12.768 flat angles P-C4'-P energy: -8.787 tors. eta vs tors. theta energy: -19.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -234.966902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.966902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.966902 (E_RNA) where: Base-Base interactions energy: -154.114 where: short stacking energy: -63.273 Base-Backbone interact. energy: -1.264 local terms energy: -79.588495 where: bonds (distance) C4'-P energy: -18.181 bonds (distance) P-C4' energy: -17.278 flat angles C4'-P-C4' energy: -16.836 flat angles P-C4'-P energy: -10.649 tors. eta vs tors. theta energy: -16.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -219.411345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.411345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.411345 (E_RNA) where: Base-Base interactions energy: -156.951 where: short stacking energy: -80.195 Base-Backbone interact. energy: 0.426 local terms energy: -62.886211 where: bonds (distance) C4'-P energy: -11.564 bonds (distance) P-C4' energy: -10.656 flat angles C4'-P-C4' energy: -16.925 flat angles P-C4'-P energy: -7.261 tors. eta vs tors. theta energy: -16.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -213.416654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.416654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.416654 (E_RNA) where: Base-Base interactions energy: -149.387 where: short stacking energy: -72.711 Base-Backbone interact. energy: -0.001 local terms energy: -64.028909 where: bonds (distance) C4'-P energy: -9.854 bonds (distance) P-C4' energy: -14.678 flat angles C4'-P-C4' energy: -15.990 flat angles P-C4'-P energy: -6.231 tors. eta vs tors. theta energy: -17.276 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: 2 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -204.573101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.573101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.573101 (E_RNA) where: Base-Base interactions energy: -141.910 where: short stacking energy: -67.552 Base-Backbone interact. energy: -0.033 local terms energy: -62.630554 where: bonds (distance) C4'-P energy: -10.181 bonds (distance) P-C4' energy: -16.217 flat angles C4'-P-C4' energy: -15.795 flat angles P-C4'-P energy: -7.697 tors. eta vs tors. theta energy: -12.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -182.385247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.385247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.385247 (E_RNA) where: Base-Base interactions energy: -132.215 where: short stacking energy: -54.413 Base-Backbone interact. energy: 0.944 local terms energy: -51.113643 where: bonds (distance) C4'-P energy: -11.578 bonds (distance) P-C4' energy: -15.786 flat angles C4'-P-C4' energy: -11.354 flat angles P-C4'-P energy: -3.808 tors. eta vs tors. theta energy: -8.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -288.683802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.683802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.683802 (E_RNA) where: Base-Base interactions energy: -204.416 where: short stacking energy: -88.083 Base-Backbone interact. energy: -2.453 local terms energy: -81.814266 where: bonds (distance) C4'-P energy: -14.885 bonds (distance) P-C4' energy: -14.923 flat angles C4'-P-C4' energy: -18.051 flat angles P-C4'-P energy: -13.574 tors. eta vs tors. theta energy: -20.380 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: 122 Temperature: 0.950000 Total energy: -270.163976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.163976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.163976 (E_RNA) where: Base-Base interactions energy: -191.747 where: short stacking energy: -89.193 Base-Backbone interact. energy: 0.277 local terms energy: -78.693974 where: bonds (distance) C4'-P energy: -11.809 bonds (distance) P-C4' energy: -17.157 flat angles C4'-P-C4' energy: -18.402 flat angles P-C4'-P energy: -11.549 tors. eta vs tors. theta energy: -19.777 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: 7 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -264.525152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.525152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.525152 (E_RNA) where: Base-Base interactions energy: -191.140 where: short stacking energy: -86.267 Base-Backbone interact. energy: -0.939 local terms energy: -72.445279 where: bonds (distance) C4'-P energy: -13.250 bonds (distance) P-C4' energy: -14.352 flat angles C4'-P-C4' energy: -17.258 flat angles P-C4'-P energy: -9.604 tors. eta vs tors. theta energy: -17.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -245.184536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.184536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.184536 (E_RNA) where: Base-Base interactions energy: -169.288 where: short stacking energy: -77.345 Base-Backbone interact. energy: -1.865 local terms energy: -74.031360 where: bonds (distance) C4'-P energy: -17.345 bonds (distance) P-C4' energy: -13.835 flat angles C4'-P-C4' energy: -17.164 flat angles P-C4'-P energy: -7.882 tors. eta vs tors. theta energy: -17.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -229.227918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.227918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.227918 (E_RNA) where: Base-Base interactions energy: -151.973 where: short stacking energy: -75.271 Base-Backbone interact. energy: 1.945 local terms energy: -79.199778 where: bonds (distance) C4'-P energy: -14.356 bonds (distance) P-C4' energy: -17.163 flat angles C4'-P-C4' energy: -19.273 flat angles P-C4'-P energy: -10.924 tors. eta vs tors. theta energy: -17.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -230.448651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.448651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.448651 (E_RNA) where: Base-Base interactions energy: -160.425 where: short stacking energy: -79.211 Base-Backbone interact. energy: -1.096 local terms energy: -68.927959 where: bonds (distance) C4'-P energy: -13.400 bonds (distance) P-C4' energy: -16.417 flat angles C4'-P-C4' energy: -14.389 flat angles P-C4'-P energy: -5.590 tors. eta vs tors. theta energy: -19.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -215.664862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.664862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.664862 (E_RNA) where: Base-Base interactions energy: -150.938 where: short stacking energy: -72.788 Base-Backbone interact. energy: -0.019 local terms energy: -64.707729 where: bonds (distance) C4'-P energy: -16.131 bonds (distance) P-C4' energy: -15.437 flat angles C4'-P-C4' energy: -6.741 flat angles P-C4'-P energy: -6.537 tors. eta vs tors. theta energy: -19.862 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: 8 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -230.282073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.282073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.282073 (E_RNA) where: Base-Base interactions energy: -154.540 where: short stacking energy: -72.820 Base-Backbone interact. energy: -0.353 local terms energy: -75.388326 where: bonds (distance) C4'-P energy: -16.852 bonds (distance) P-C4' energy: -16.104 flat angles C4'-P-C4' energy: -19.356 flat angles P-C4'-P energy: -6.648 tors. eta vs tors. theta energy: -16.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -221.164636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.164636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.164636 (E_RNA) where: Base-Base interactions energy: -147.839 where: short stacking energy: -67.640 Base-Backbone interact. energy: -0.109 local terms energy: -73.216221 where: bonds (distance) C4'-P energy: -18.939 bonds (distance) P-C4' energy: -15.737 flat angles C4'-P-C4' energy: -13.166 flat angles P-C4'-P energy: -7.253 tors. eta vs tors. theta energy: -18.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -92.140272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.140272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.140272 (E_RNA) where: Base-Base interactions energy: -47.793 where: short stacking energy: -28.042 Base-Backbone interact. energy: -0.169 local terms energy: -44.177669 where: bonds (distance) C4'-P energy: -11.849 bonds (distance) P-C4' energy: -9.986 flat angles C4'-P-C4' energy: -11.406 flat angles P-C4'-P energy: -7.748 tors. eta vs tors. theta energy: -3.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -286.554088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.554088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.554088 (E_RNA) where: Base-Base interactions energy: -204.799 where: short stacking energy: -83.278 Base-Backbone interact. energy: -0.913 local terms energy: -80.842486 where: bonds (distance) C4'-P energy: -14.284 bonds (distance) P-C4' energy: -19.289 flat angles C4'-P-C4' energy: -15.834 flat angles P-C4'-P energy: -13.610 tors. eta vs tors. theta energy: -17.826 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: 4 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -265.070351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.070351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.070351 (E_RNA) where: Base-Base interactions energy: -183.387 where: short stacking energy: -83.343 Base-Backbone interact. energy: -1.055 local terms energy: -80.628996 where: bonds (distance) C4'-P energy: -16.765 bonds (distance) P-C4' energy: -17.273 flat angles C4'-P-C4' energy: -19.240 flat angles P-C4'-P energy: -10.371 tors. eta vs tors. theta energy: -16.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -280.760335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.760335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.760335 (E_RNA) where: Base-Base interactions energy: -194.144 where: short stacking energy: -93.321 Base-Backbone interact. energy: -1.119 local terms energy: -85.496903 where: bonds (distance) C4'-P energy: -18.720 bonds (distance) P-C4' energy: -16.279 flat angles C4'-P-C4' energy: -20.245 flat angles P-C4'-P energy: -9.488 tors. eta vs tors. theta energy: -20.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -240.761826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.761826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.761826 (E_RNA) where: Base-Base interactions energy: -163.841 where: short stacking energy: -74.910 Base-Backbone interact. energy: -1.032 local terms energy: -75.888618 where: bonds (distance) C4'-P energy: -18.500 bonds (distance) P-C4' energy: -17.630 flat angles C4'-P-C4' energy: -15.540 flat angles P-C4'-P energy: -6.967 tors. eta vs tors. theta energy: -17.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -237.309680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.309680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.309680 (E_RNA) where: Base-Base interactions energy: -161.884 where: short stacking energy: -82.377 Base-Backbone interact. energy: -1.015 local terms energy: -74.410384 where: bonds (distance) C4'-P energy: -15.037 bonds (distance) P-C4' energy: -15.602 flat angles C4'-P-C4' energy: -15.494 flat angles P-C4'-P energy: -8.147 tors. eta vs tors. theta energy: -20.130 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: 6, replica: 6 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -218.481605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.481605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.481605 (E_RNA) where: Base-Base interactions energy: -146.425 where: short stacking energy: -66.812 Base-Backbone interact. energy: -0.143 local terms energy: -71.913672 where: bonds (distance) C4'-P energy: -12.670 bonds (distance) P-C4' energy: -11.104 flat angles C4'-P-C4' energy: -16.605 flat angles P-C4'-P energy: -10.029 tors. eta vs tors. theta energy: -21.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -208.409717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.409717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.409717 (E_RNA) where: Base-Base interactions energy: -136.805 where: short stacking energy: -63.220 Base-Backbone interact. energy: 1.378 local terms energy: -72.982538 where: bonds (distance) C4'-P energy: -16.848 bonds (distance) P-C4' energy: -15.169 flat angles C4'-P-C4' energy: -12.942 flat angles P-C4'-P energy: -13.196 tors. eta vs tors. theta energy: -14.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -205.620289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.620289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.620289 (E_RNA) where: Base-Base interactions energy: -138.549 where: short stacking energy: -58.613 Base-Backbone interact. energy: -0.220 local terms energy: -66.851606 where: bonds (distance) C4'-P energy: -15.204 bonds (distance) P-C4' energy: -12.444 flat angles C4'-P-C4' energy: -12.351 flat angles P-C4'-P energy: -10.149 tors. eta vs tors. theta energy: -16.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -210.676755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.676755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.676755 (E_RNA) where: Base-Base interactions energy: -146.858 where: short stacking energy: -68.309 Base-Backbone interact. energy: -0.383 local terms energy: -63.436103 where: bonds (distance) C4'-P energy: -13.706 bonds (distance) P-C4' energy: -17.850 flat angles C4'-P-C4' energy: -8.678 flat angles P-C4'-P energy: -8.752 tors. eta vs tors. theta energy: -14.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -105.908457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.908457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.908457 (E_RNA) where: Base-Base interactions energy: -57.581 where: short stacking energy: -34.989 Base-Backbone interact. energy: -0.473 local terms energy: -47.853705 where: bonds (distance) C4'-P energy: -15.945 bonds (distance) P-C4' energy: -14.480 flat angles C4'-P-C4' energy: -9.592 flat angles P-C4'-P energy: -5.952 tors. eta vs tors. theta energy: -1.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -272.226528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.226528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.226528 (E_RNA) where: Base-Base interactions energy: -193.497 where: short stacking energy: -84.369 Base-Backbone interact. energy: -0.948 local terms energy: -77.781394 where: bonds (distance) C4'-P energy: -18.144 bonds (distance) P-C4' energy: -16.510 flat angles C4'-P-C4' energy: -17.655 flat angles P-C4'-P energy: -6.093 tors. eta vs tors. theta energy: -19.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -284.651970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.651970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.651970 (E_RNA) where: Base-Base interactions energy: -203.129 where: short stacking energy: -78.937 Base-Backbone interact. energy: -0.958 local terms energy: -80.564840 where: bonds (distance) C4'-P energy: -16.358 bonds (distance) P-C4' energy: -17.011 flat angles C4'-P-C4' energy: -19.289 flat angles P-C4'-P energy: -12.015 tors. eta vs tors. theta energy: -15.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -279.584065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.584065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.584065 (E_RNA) where: Base-Base interactions energy: -194.131 where: short stacking energy: -85.898 Base-Backbone interact. energy: 1.684 local terms energy: -87.136950 where: bonds (distance) C4'-P energy: -19.266 bonds (distance) P-C4' energy: -19.084 flat angles C4'-P-C4' energy: -18.778 flat angles P-C4'-P energy: -11.761 tors. eta vs tors. theta energy: -18.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -221.628179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.628179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.628179 (E_RNA) where: Base-Base interactions energy: -154.263 where: short stacking energy: -79.491 Base-Backbone interact. energy: -0.173 local terms energy: -67.191890 where: bonds (distance) C4'-P energy: -15.113 bonds (distance) P-C4' energy: -12.123 flat angles C4'-P-C4' energy: -18.751 flat angles P-C4'-P energy: -5.834 tors. eta vs tors. theta energy: -15.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -229.317047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.317047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.317047 (E_RNA) where: Base-Base interactions energy: -151.952 where: short stacking energy: -67.203 Base-Backbone interact. energy: -0.807 local terms energy: -76.557220 where: bonds (distance) C4'-P energy: -14.140 bonds (distance) P-C4' energy: -16.666 flat angles C4'-P-C4' energy: -18.082 flat angles P-C4'-P energy: -9.697 tors. eta vs tors. theta energy: -17.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -247.716900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.716900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.716900 (E_RNA) where: Base-Base interactions energy: -173.373 where: short stacking energy: -83.332 Base-Backbone interact. energy: -0.086 local terms energy: -74.257591 where: bonds (distance) C4'-P energy: -14.608 bonds (distance) P-C4' energy: -15.090 flat angles C4'-P-C4' energy: -17.028 flat angles P-C4'-P energy: -8.129 tors. eta vs tors. theta energy: -19.402 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: 2 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -205.492676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.492676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.492676 (E_RNA) where: Base-Base interactions energy: -136.880 where: short stacking energy: -63.000 Base-Backbone interact. energy: -0.174 local terms energy: -68.437872 where: bonds (distance) C4'-P energy: -17.386 bonds (distance) P-C4' energy: -18.669 flat angles C4'-P-C4' energy: -15.201 flat angles P-C4'-P energy: -7.429 tors. eta vs tors. theta energy: -9.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -212.119997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.119997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.119997 (E_RNA) where: Base-Base interactions energy: -133.352 where: short stacking energy: -60.595 Base-Backbone interact. energy: -1.149 local terms energy: -77.618195 where: bonds (distance) C4'-P energy: -16.939 bonds (distance) P-C4' energy: -16.759 flat angles C4'-P-C4' energy: -17.071 flat angles P-C4'-P energy: -11.553 tors. eta vs tors. theta energy: -15.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -204.826761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.826761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.826761 (E_RNA) where: Base-Base interactions energy: -132.849 where: short stacking energy: -64.091 Base-Backbone interact. energy: -0.436 local terms energy: -71.542210 where: bonds (distance) C4'-P energy: -14.905 bonds (distance) P-C4' energy: -13.723 flat angles C4'-P-C4' energy: -15.561 flat angles P-C4'-P energy: -9.935 tors. eta vs tors. theta energy: -17.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -111.084529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.084529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.084529 (E_RNA) where: Base-Base interactions energy: -58.037 where: short stacking energy: -37.522 Base-Backbone interact. energy: -0.206 local terms energy: -52.841675 where: bonds (distance) C4'-P energy: -10.252 bonds (distance) P-C4' energy: -16.393 flat angles C4'-P-C4' energy: -12.833 flat angles P-C4'-P energy: -9.223 tors. eta vs tors. theta energy: -4.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -282.094334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.094334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.094334 (E_RNA) where: Base-Base interactions energy: -203.215 where: short stacking energy: -93.491 Base-Backbone interact. energy: 0.510 local terms energy: -79.389097 where: bonds (distance) C4'-P energy: -15.941 bonds (distance) P-C4' energy: -18.396 flat angles C4'-P-C4' energy: -18.362 flat angles P-C4'-P energy: -8.633 tors. eta vs tors. theta energy: -18.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -274.843067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.843067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.843067 (E_RNA) where: Base-Base interactions energy: -196.461 where: short stacking energy: -87.181 Base-Backbone interact. energy: -0.302 local terms energy: -78.080245 where: bonds (distance) C4'-P energy: -15.507 bonds (distance) P-C4' energy: -17.756 flat angles C4'-P-C4' energy: -15.190 flat angles P-C4'-P energy: -10.276 tors. eta vs tors. theta energy: -19.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -281.698981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.698981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.698981 (E_RNA) where: Base-Base interactions energy: -195.756 where: short stacking energy: -85.259 Base-Backbone interact. energy: -0.091 local terms energy: -85.852546 where: bonds (distance) C4'-P energy: -17.857 bonds (distance) P-C4' energy: -16.933 flat angles C4'-P-C4' energy: -18.380 flat angles P-C4'-P energy: -9.353 tors. eta vs tors. theta energy: -23.329 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: 6 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -250.141522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.141522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.141522 (E_RNA) where: Base-Base interactions energy: -171.330 where: short stacking energy: -73.508 Base-Backbone interact. energy: -0.856 local terms energy: -77.956030 where: bonds (distance) C4'-P energy: -16.261 bonds (distance) P-C4' energy: -15.069 flat angles C4'-P-C4' energy: -18.317 flat angles P-C4'-P energy: -12.195 tors. eta vs tors. theta energy: -16.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -232.566578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.566578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.566578 (E_RNA) where: Base-Base interactions energy: -158.954 where: short stacking energy: -79.833 Base-Backbone interact. energy: -0.013 local terms energy: -73.599275 where: bonds (distance) C4'-P energy: -12.166 bonds (distance) P-C4' energy: -18.348 flat angles C4'-P-C4' energy: -13.220 flat angles P-C4'-P energy: -11.566 tors. eta vs tors. theta energy: -18.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -225.399351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.399351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.399351 (E_RNA) where: Base-Base interactions energy: -152.724 where: short stacking energy: -79.702 Base-Backbone interact. energy: -0.154 local terms energy: -72.520983 where: bonds (distance) C4'-P energy: -13.325 bonds (distance) P-C4' energy: -18.411 flat angles C4'-P-C4' energy: -13.280 flat angles P-C4'-P energy: -6.009 tors. eta vs tors. theta energy: -21.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -233.384860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.384860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.384860 (E_RNA) where: Base-Base interactions energy: -157.753 where: short stacking energy: -79.295 Base-Backbone interact. energy: 0.773 local terms energy: -76.404382 where: bonds (distance) C4'-P energy: -12.276 bonds (distance) P-C4' energy: -17.077 flat angles C4'-P-C4' energy: -17.531 flat angles P-C4'-P energy: -9.593 tors. eta vs tors. theta energy: -19.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -192.239322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.239322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.239322 (E_RNA) where: Base-Base interactions energy: -129.986 where: short stacking energy: -58.415 Base-Backbone interact. energy: -0.110 local terms energy: -62.143147 where: bonds (distance) C4'-P energy: -13.588 bonds (distance) P-C4' energy: -16.357 flat angles C4'-P-C4' energy: -16.030 flat angles P-C4'-P energy: -4.139 tors. eta vs tors. theta energy: -12.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -185.669973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.669973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.669973 (E_RNA) where: Base-Base interactions energy: -124.995 where: short stacking energy: -51.571 Base-Backbone interact. energy: -0.571 local terms energy: -60.104856 where: bonds (distance) C4'-P energy: -17.336 bonds (distance) P-C4' energy: -17.104 flat angles C4'-P-C4' energy: -10.489 flat angles P-C4'-P energy: -2.683 tors. eta vs tors. theta energy: -12.493 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: 1 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -95.450995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.450995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.450995 (E_RNA) where: Base-Base interactions energy: -35.160 where: short stacking energy: -33.727 Base-Backbone interact. energy: -0.681 local terms energy: -59.610261 where: bonds (distance) C4'-P energy: -14.746 bonds (distance) P-C4' energy: -17.932 flat angles C4'-P-C4' energy: -12.592 flat angles P-C4'-P energy: -9.136 tors. eta vs tors. theta energy: -5.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -287.951212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.951212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.951212 (E_RNA) where: Base-Base interactions energy: -207.053 where: short stacking energy: -92.765 Base-Backbone interact. energy: -0.060 local terms energy: -80.837821 where: bonds (distance) C4'-P energy: -17.934 bonds (distance) P-C4' energy: -18.872 flat angles C4'-P-C4' energy: -17.916 flat angles P-C4'-P energy: -7.494 tors. eta vs tors. theta energy: -18.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -265.017122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.017122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.017122 (E_RNA) where: Base-Base interactions energy: -189.783 where: short stacking energy: -91.073 Base-Backbone interact. energy: -0.532 local terms energy: -74.702064 where: bonds (distance) C4'-P energy: -13.575 bonds (distance) P-C4' energy: -16.463 flat angles C4'-P-C4' energy: -14.827 flat angles P-C4'-P energy: -14.346 tors. eta vs tors. theta energy: -15.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -296.612449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.612449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.612449 (E_RNA) where: Base-Base interactions energy: -208.502 where: short stacking energy: -89.972 Base-Backbone interact. energy: -0.801 local terms energy: -87.309078 where: bonds (distance) C4'-P energy: -18.148 bonds (distance) P-C4' energy: -19.131 flat angles C4'-P-C4' energy: -17.596 flat angles P-C4'-P energy: -9.653 tors. eta vs tors. theta energy: -22.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -253.357319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.357319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.357319 (E_RNA) where: Base-Base interactions energy: -181.592 where: short stacking energy: -81.065 Base-Backbone interact. energy: -1.424 local terms energy: -70.340690 where: bonds (distance) C4'-P energy: -13.805 bonds (distance) P-C4' energy: -17.224 flat angles C4'-P-C4' energy: -15.716 flat angles P-C4'-P energy: -9.735 tors. eta vs tors. theta energy: -13.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -237.082646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.082646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.082646 (E_RNA) where: Base-Base interactions energy: -153.237 where: short stacking energy: -81.637 Base-Backbone interact. energy: -1.334 local terms energy: -82.511289 where: bonds (distance) C4'-P energy: -17.763 bonds (distance) P-C4' energy: -17.413 flat angles C4'-P-C4' energy: -19.479 flat angles P-C4'-P energy: -8.672 tors. eta vs tors. theta energy: -19.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -213.173017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.173017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.173017 (E_RNA) where: Base-Base interactions energy: -143.366 where: short stacking energy: -65.094 Base-Backbone interact. energy: -1.589 local terms energy: -68.218044 where: bonds (distance) C4'-P energy: -12.554 bonds (distance) P-C4' energy: -15.742 flat angles C4'-P-C4' energy: -16.889 flat angles P-C4'-P energy: -8.928 tors. eta vs tors. theta energy: -14.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -213.488962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.488962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.488962 (E_RNA) where: Base-Base interactions energy: -138.099 where: short stacking energy: -62.575 Base-Backbone interact. energy: -1.018 local terms energy: -74.372192 where: bonds (distance) C4'-P energy: -14.587 bonds (distance) P-C4' energy: -18.154 flat angles C4'-P-C4' energy: -11.990 flat angles P-C4'-P energy: -14.081 tors. eta vs tors. theta energy: -15.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -227.132414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.132414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.132414 (E_RNA) where: Base-Base interactions energy: -158.180 where: short stacking energy: -67.816 Base-Backbone interact. energy: -0.625 local terms energy: -68.328286 where: bonds (distance) C4'-P energy: -12.220 bonds (distance) P-C4' energy: -15.829 flat angles C4'-P-C4' energy: -14.912 flat angles P-C4'-P energy: -12.266 tors. eta vs tors. theta energy: -13.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -185.792367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.792367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.792367 (E_RNA) where: Base-Base interactions energy: -114.939 where: short stacking energy: -52.942 Base-Backbone interact. energy: -0.107 local terms energy: -70.746830 where: bonds (distance) C4'-P energy: -16.781 bonds (distance) P-C4' energy: -15.759 flat angles C4'-P-C4' energy: -18.005 flat angles P-C4'-P energy: -9.557 tors. eta vs tors. theta energy: -10.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -106.790315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.790315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.790315 (E_RNA) where: Base-Base interactions energy: -52.652 where: short stacking energy: -33.711 Base-Backbone interact. energy: 0.378 local terms energy: -54.516900 where: bonds (distance) C4'-P energy: -15.328 bonds (distance) P-C4' energy: -15.669 flat angles C4'-P-C4' energy: -13.695 flat angles P-C4'-P energy: -8.205 tors. eta vs tors. theta energy: -1.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -276.598178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.598178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.598178 (E_RNA) where: Base-Base interactions energy: -195.262 where: short stacking energy: -87.371 Base-Backbone interact. energy: -0.204 local terms energy: -81.132388 where: bonds (distance) C4'-P energy: -17.059 bonds (distance) P-C4' energy: -15.169 flat angles C4'-P-C4' energy: -18.062 flat angles P-C4'-P energy: -10.646 tors. eta vs tors. theta energy: -20.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -287.402649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.402649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.402649 (E_RNA) where: Base-Base interactions energy: -207.621 where: short stacking energy: -88.769 Base-Backbone interact. energy: -0.247 local terms energy: -79.534724 where: bonds (distance) C4'-P energy: -15.871 bonds (distance) P-C4' energy: -19.038 flat angles C4'-P-C4' energy: -16.577 flat angles P-C4'-P energy: -11.149 tors. eta vs tors. theta energy: -16.900 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: 7 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -266.707770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.707770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.707770 (E_RNA) where: Base-Base interactions energy: -190.915 where: short stacking energy: -88.404 Base-Backbone interact. energy: -0.292 local terms energy: -75.500418 where: bonds (distance) C4'-P energy: -14.710 bonds (distance) P-C4' energy: -16.370 flat angles C4'-P-C4' energy: -16.911 flat angles P-C4'-P energy: -6.717 tors. eta vs tors. theta energy: -20.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -253.399605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.399605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.399605 (E_RNA) where: Base-Base interactions energy: -180.598 where: short stacking energy: -80.393 Base-Backbone interact. energy: -0.551 local terms energy: -72.250126 where: bonds (distance) C4'-P energy: -14.132 bonds (distance) P-C4' energy: -15.818 flat angles C4'-P-C4' energy: -16.908 flat angles P-C4'-P energy: -10.032 tors. eta vs tors. theta energy: -15.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -234.285081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.285081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.285081 (E_RNA) where: Base-Base interactions energy: -157.973 where: short stacking energy: -78.841 Base-Backbone interact. energy: -0.529 local terms energy: -75.782981 where: bonds (distance) C4'-P energy: -14.331 bonds (distance) P-C4' energy: -18.235 flat angles C4'-P-C4' energy: -16.057 flat angles P-C4'-P energy: -8.810 tors. eta vs tors. theta energy: -18.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -225.947286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.947286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.947286 (E_RNA) where: Base-Base interactions energy: -153.863 where: short stacking energy: -68.207 Base-Backbone interact. energy: -0.704 local terms energy: -71.380238 where: bonds (distance) C4'-P energy: -12.791 bonds (distance) P-C4' energy: -15.365 flat angles C4'-P-C4' energy: -16.506 flat angles P-C4'-P energy: -10.110 tors. eta vs tors. theta energy: -16.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -221.027252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.027252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.027252 (E_RNA) where: Base-Base interactions energy: -159.005 where: short stacking energy: -76.228 Base-Backbone interact. energy: -0.513 local terms energy: -61.509645 where: bonds (distance) C4'-P energy: -14.765 bonds (distance) P-C4' energy: -14.786 flat angles C4'-P-C4' energy: -12.535 flat angles P-C4'-P energy: -5.248 tors. eta vs tors. theta energy: -14.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -212.998272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.998272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.998272 (E_RNA) where: Base-Base interactions energy: -148.868 where: short stacking energy: -70.413 Base-Backbone interact. energy: -0.235 local terms energy: -63.895688 where: bonds (distance) C4'-P energy: -16.016 bonds (distance) P-C4' energy: -14.700 flat angles C4'-P-C4' energy: -13.092 flat angles P-C4'-P energy: -7.666 tors. eta vs tors. theta energy: -12.421 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: 2 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -217.740058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.740058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.740058 (E_RNA) where: Base-Base interactions energy: -146.243 where: short stacking energy: -66.691 Base-Backbone interact. energy: 0.480 local terms energy: -71.977159 where: bonds (distance) C4'-P energy: -10.869 bonds (distance) P-C4' energy: -18.657 flat angles C4'-P-C4' energy: -15.250 flat angles P-C4'-P energy: -9.283 tors. eta vs tors. theta energy: -17.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -118.017528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.017528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.017528 (E_RNA) where: Base-Base interactions energy: -64.387 where: short stacking energy: -36.657 Base-Backbone interact. energy: -0.147 local terms energy: -53.483875 where: bonds (distance) C4'-P energy: -13.559 bonds (distance) P-C4' energy: -15.810 flat angles C4'-P-C4' energy: -15.255 flat angles P-C4'-P energy: -4.187 tors. eta vs tors. theta energy: -4.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -287.318278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.318278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.318278 (E_RNA) where: Base-Base interactions energy: -204.329 where: short stacking energy: -88.208 Base-Backbone interact. energy: -1.126 local terms energy: -81.863267 where: bonds (distance) C4'-P energy: -17.324 bonds (distance) P-C4' energy: -16.807 flat angles C4'-P-C4' energy: -17.596 flat angles P-C4'-P energy: -9.988 tors. eta vs tors. theta energy: -20.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -288.061694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.061694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.061694 (E_RNA) where: Base-Base interactions energy: -202.451 where: short stacking energy: -87.452 Base-Backbone interact. energy: -2.349 local terms energy: -83.261348 where: bonds (distance) C4'-P energy: -16.156 bonds (distance) P-C4' energy: -18.081 flat angles C4'-P-C4' energy: -16.497 flat angles P-C4'-P energy: -8.288 tors. eta vs tors. theta energy: -24.239 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: 6 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -260.133115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.133115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.133115 (E_RNA) where: Base-Base interactions energy: -181.230 where: short stacking energy: -85.120 Base-Backbone interact. energy: -0.075 local terms energy: -78.827981 where: bonds (distance) C4'-P energy: -14.211 bonds (distance) P-C4' energy: -19.331 flat angles C4'-P-C4' energy: -18.221 flat angles P-C4'-P energy: -9.159 tors. eta vs tors. theta energy: -17.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -255.325172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.325172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.325172 (E_RNA) where: Base-Base interactions energy: -178.730 where: short stacking energy: -82.299 Base-Backbone interact. energy: -1.977 local terms energy: -74.618934 where: bonds (distance) C4'-P energy: -9.925 bonds (distance) P-C4' energy: -18.250 flat angles C4'-P-C4' energy: -16.189 flat angles P-C4'-P energy: -11.188 tors. eta vs tors. theta energy: -19.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -238.765000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.765000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.765000 (E_RNA) where: Base-Base interactions energy: -156.360 where: short stacking energy: -82.046 Base-Backbone interact. energy: -0.543 local terms energy: -81.861935 where: bonds (distance) C4'-P energy: -18.802 bonds (distance) P-C4' energy: -14.359 flat angles C4'-P-C4' energy: -20.584 flat angles P-C4'-P energy: -10.904 tors. eta vs tors. theta energy: -17.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -234.924347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.924347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.924347 (E_RNA) where: Base-Base interactions energy: -153.274 where: short stacking energy: -64.974 Base-Backbone interact. energy: -0.167 local terms energy: -81.483655 where: bonds (distance) C4'-P energy: -16.504 bonds (distance) P-C4' energy: -16.754 flat angles C4'-P-C4' energy: -19.869 flat angles P-C4'-P energy: -12.212 tors. eta vs tors. theta energy: -16.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -226.739198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.739198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.739198 (E_RNA) where: Base-Base interactions energy: -156.837 where: short stacking energy: -64.333 Base-Backbone interact. energy: -0.471 local terms energy: -69.430779 where: bonds (distance) C4'-P energy: -15.328 bonds (distance) P-C4' energy: -18.175 flat angles C4'-P-C4' energy: -15.150 flat angles P-C4'-P energy: -5.704 tors. eta vs tors. theta energy: -15.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -207.761399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.761399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.761399 (E_RNA) where: Base-Base interactions energy: -137.848 where: short stacking energy: -64.257 Base-Backbone interact. energy: -0.671 local terms energy: -69.241801 where: bonds (distance) C4'-P energy: -16.428 bonds (distance) P-C4' energy: -17.322 flat angles C4'-P-C4' energy: -16.271 flat angles P-C4'-P energy: -7.759 tors. eta vs tors. theta energy: -11.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -189.014333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.014333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.014333 (E_RNA) where: Base-Base interactions energy: -118.378 where: short stacking energy: -56.599 Base-Backbone interact. energy: 0.152 local terms energy: -70.788281 where: bonds (distance) C4'-P energy: -13.445 bonds (distance) P-C4' energy: -13.657 flat angles C4'-P-C4' energy: -16.001 flat angles P-C4'-P energy: -13.920 tors. eta vs tors. theta energy: -13.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -104.921500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.921500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.921500 (E_RNA) where: Base-Base interactions energy: -45.331 where: short stacking energy: -36.986 Base-Backbone interact. energy: -0.025 local terms energy: -59.565652 where: bonds (distance) C4'-P energy: -16.516 bonds (distance) P-C4' energy: -15.078 flat angles C4'-P-C4' energy: -10.752 flat angles P-C4'-P energy: -10.078 tors. eta vs tors. theta energy: -7.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -284.192352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.192352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.192352 (E_RNA) where: Base-Base interactions energy: -198.720 where: short stacking energy: -87.236 Base-Backbone interact. energy: -0.332 local terms energy: -85.140921 where: bonds (distance) C4'-P energy: -19.799 bonds (distance) P-C4' energy: -15.741 flat angles C4'-P-C4' energy: -15.559 flat angles P-C4'-P energy: -11.392 tors. eta vs tors. theta energy: -22.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -297.530161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.530161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.530161 (E_RNA) where: Base-Base interactions energy: -207.795 where: short stacking energy: -88.443 Base-Backbone interact. energy: -3.195 local terms energy: -86.540273 where: bonds (distance) C4'-P energy: -17.233 bonds (distance) P-C4' energy: -17.430 flat angles C4'-P-C4' energy: -16.623 flat angles P-C4'-P energy: -12.470 tors. eta vs tors. theta energy: -22.784 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: 3, replica: 6 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -272.816491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.816491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.816491 (E_RNA) where: Base-Base interactions energy: -192.872 where: short stacking energy: -90.572 Base-Backbone interact. energy: -1.059 local terms energy: -78.884860 where: bonds (distance) C4'-P energy: -18.905 bonds (distance) P-C4' energy: -17.255 flat angles C4'-P-C4' energy: -12.606 flat angles P-C4'-P energy: -10.063 tors. eta vs tors. theta energy: -20.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -254.091865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.091865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.091865 (E_RNA) where: Base-Base interactions energy: -172.384 where: short stacking energy: -72.576 Base-Backbone interact. energy: -0.093 local terms energy: -81.615242 where: bonds (distance) C4'-P energy: -18.500 bonds (distance) P-C4' energy: -18.963 flat angles C4'-P-C4' energy: -13.565 flat angles P-C4'-P energy: -10.610 tors. eta vs tors. theta energy: -19.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -233.236181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.236181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.236181 (E_RNA) where: Base-Base interactions energy: -162.390 where: short stacking energy: -82.785 Base-Backbone interact. energy: -0.272 local terms energy: -70.574026 where: bonds (distance) C4'-P energy: -16.217 bonds (distance) P-C4' energy: -13.418 flat angles C4'-P-C4' energy: -16.172 flat angles P-C4'-P energy: -8.492 tors. eta vs tors. theta energy: -16.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -256.972835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.972835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.972835 (E_RNA) where: Base-Base interactions energy: -180.251 where: short stacking energy: -81.209 Base-Backbone interact. energy: -0.398 local terms energy: -76.323483 where: bonds (distance) C4'-P energy: -8.335 bonds (distance) P-C4' energy: -20.200 flat angles C4'-P-C4' energy: -15.006 flat angles P-C4'-P energy: -13.924 tors. eta vs tors. theta energy: -18.858 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: 5 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -222.438188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.438188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.438188 (E_RNA) where: Base-Base interactions energy: -148.436 where: short stacking energy: -77.738 Base-Backbone interact. energy: -0.428 local terms energy: -73.573999 where: bonds (distance) C4'-P energy: -14.736 bonds (distance) P-C4' energy: -16.109 flat angles C4'-P-C4' energy: -13.654 flat angles P-C4'-P energy: -10.155 tors. eta vs tors. theta energy: -18.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -211.647109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.647109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.647109 (E_RNA) where: Base-Base interactions energy: -144.853 where: short stacking energy: -65.349 Base-Backbone interact. energy: -0.133 local terms energy: -66.661421 where: bonds (distance) C4'-P energy: -18.406 bonds (distance) P-C4' energy: -14.100 flat angles C4'-P-C4' energy: -12.339 flat angles P-C4'-P energy: -8.961 tors. eta vs tors. theta energy: -12.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -203.137577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.137577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.137577 (E_RNA) where: Base-Base interactions energy: -141.823 where: short stacking energy: -61.024 Base-Backbone interact. energy: -0.431 local terms energy: -60.883240 where: bonds (distance) C4'-P energy: -14.939 bonds (distance) P-C4' energy: -15.710 flat angles C4'-P-C4' energy: -14.593 flat angles P-C4'-P energy: -7.106 tors. eta vs tors. theta energy: -8.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -94.247829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.247829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.247829 (E_RNA) where: Base-Base interactions energy: -36.870 where: short stacking energy: -36.326 Base-Backbone interact. energy: -0.157 local terms energy: -57.220484 where: bonds (distance) C4'-P energy: -9.367 bonds (distance) P-C4' energy: -17.792 flat angles C4'-P-C4' energy: -14.455 flat angles P-C4'-P energy: -8.464 tors. eta vs tors. theta energy: -7.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -290.924573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.924573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.924573 (E_RNA) where: Base-Base interactions energy: -207.958 where: short stacking energy: -87.901 Base-Backbone interact. energy: -0.573 local terms energy: -82.392691 where: bonds (distance) C4'-P energy: -16.500 bonds (distance) P-C4' energy: -16.736 flat angles C4'-P-C4' energy: -19.333 flat angles P-C4'-P energy: -9.216 tors. eta vs tors. theta energy: -20.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -268.422835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.422835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.422835 (E_RNA) where: Base-Base interactions energy: -189.132 where: short stacking energy: -82.814 Base-Backbone interact. energy: -0.423 local terms energy: -78.867789 where: bonds (distance) C4'-P energy: -17.836 bonds (distance) P-C4' energy: -17.190 flat angles C4'-P-C4' energy: -17.289 flat angles P-C4'-P energy: -11.379 tors. eta vs tors. theta energy: -15.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -274.154343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.154343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.154343 (E_RNA) where: Base-Base interactions energy: -193.471 where: short stacking energy: -87.090 Base-Backbone interact. energy: -0.585 local terms energy: -80.099265 where: bonds (distance) C4'-P energy: -13.139 bonds (distance) P-C4' energy: -19.042 flat angles C4'-P-C4' energy: -15.214 flat angles P-C4'-P energy: -13.583 tors. eta vs tors. theta energy: -19.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -268.596246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.596246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.596246 (E_RNA) where: Base-Base interactions energy: -191.765 where: short stacking energy: -89.094 Base-Backbone interact. energy: -0.538 local terms energy: -76.293927 where: bonds (distance) C4'-P energy: -15.832 bonds (distance) P-C4' energy: -13.757 flat angles C4'-P-C4' energy: -19.213 flat angles P-C4'-P energy: -8.847 tors. eta vs tors. theta energy: -18.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -242.151504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.151504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.151504 (E_RNA) where: Base-Base interactions energy: -161.106 where: short stacking energy: -66.606 Base-Backbone interact. energy: -0.536 local terms energy: -80.509611 where: bonds (distance) C4'-P energy: -15.605 bonds (distance) P-C4' energy: -18.395 flat angles C4'-P-C4' energy: -19.266 flat angles P-C4'-P energy: -12.521 tors. eta vs tors. theta energy: -14.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -217.368716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.368716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.368716 (E_RNA) where: Base-Base interactions energy: -149.190 where: short stacking energy: -67.999 Base-Backbone interact. energy: -0.760 local terms energy: -67.418889 where: bonds (distance) C4'-P energy: -17.845 bonds (distance) P-C4' energy: -16.889 flat angles C4'-P-C4' energy: -14.927 flat angles P-C4'-P energy: -6.362 tors. eta vs tors. theta energy: -11.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -230.196639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.196639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.196639 (E_RNA) where: Base-Base interactions energy: -151.422 where: short stacking energy: -73.152 Base-Backbone interact. energy: -0.164 local terms energy: -78.610700 where: bonds (distance) C4'-P energy: -16.727 bonds (distance) P-C4' energy: -15.537 flat angles C4'-P-C4' energy: -15.899 flat angles P-C4'-P energy: -10.946 tors. eta vs tors. theta energy: -19.503 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: 5 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -201.396765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.396765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.396765 (E_RNA) where: Base-Base interactions energy: -139.524 where: short stacking energy: -66.649 Base-Backbone interact. energy: -0.310 local terms energy: -61.562791 where: bonds (distance) C4'-P energy: -12.811 bonds (distance) P-C4' energy: -14.119 flat angles C4'-P-C4' energy: -14.228 flat angles P-C4'-P energy: -5.728 tors. eta vs tors. theta energy: -14.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -197.446354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.446354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.446354 (E_RNA) where: Base-Base interactions energy: -134.588 where: short stacking energy: -60.483 Base-Backbone interact. energy: -0.094 local terms energy: -62.764427 where: bonds (distance) C4'-P energy: -13.974 bonds (distance) P-C4' energy: -13.024 flat angles C4'-P-C4' energy: -14.424 flat angles P-C4'-P energy: -11.647 tors. eta vs tors. theta energy: -9.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -116.374286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.374286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.374286 (E_RNA) where: Base-Base interactions energy: -50.861 where: short stacking energy: -47.999 Base-Backbone interact. energy: 0.208 local terms energy: -65.721461 where: bonds (distance) C4'-P energy: -13.146 bonds (distance) P-C4' energy: -18.883 flat angles C4'-P-C4' energy: -19.066 flat angles P-C4'-P energy: -4.809 tors. eta vs tors. theta energy: -9.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -285.401333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.401333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.401333 (E_RNA) where: Base-Base interactions energy: -197.411 where: short stacking energy: -81.951 Base-Backbone interact. energy: -0.554 local terms energy: -87.437070 where: bonds (distance) C4'-P energy: -16.972 bonds (distance) P-C4' energy: -19.175 flat angles C4'-P-C4' energy: -18.066 flat angles P-C4'-P energy: -10.425 tors. eta vs tors. theta energy: -22.799 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: 7 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -265.035875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.035875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.035875 (E_RNA) where: Base-Base interactions energy: -187.613 where: short stacking energy: -82.718 Base-Backbone interact. energy: 0.279 local terms energy: -77.702276 where: bonds (distance) C4'-P energy: -13.489 bonds (distance) P-C4' energy: -15.783 flat angles C4'-P-C4' energy: -16.865 flat angles P-C4'-P energy: -11.971 tors. eta vs tors. theta energy: -19.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -284.261899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.261899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.261899 (E_RNA) where: Base-Base interactions energy: -202.423 where: short stacking energy: -85.101 Base-Backbone interact. energy: -1.352 local terms energy: -80.486363 where: bonds (distance) C4'-P energy: -13.367 bonds (distance) P-C4' energy: -17.130 flat angles C4'-P-C4' energy: -17.563 flat angles P-C4'-P energy: -11.500 tors. eta vs tors. theta energy: -20.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -258.096017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.096017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.096017 (E_RNA) where: Base-Base interactions energy: -181.492 where: short stacking energy: -76.748 Base-Backbone interact. energy: -0.626 local terms energy: -75.977665 where: bonds (distance) C4'-P energy: -11.997 bonds (distance) P-C4' energy: -20.219 flat angles C4'-P-C4' energy: -16.971 flat angles P-C4'-P energy: -6.141 tors. eta vs tors. theta energy: -20.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -229.053469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.053469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.053469 (E_RNA) where: Base-Base interactions energy: -153.419 where: short stacking energy: -76.374 Base-Backbone interact. energy: -0.388 local terms energy: -75.246703 where: bonds (distance) C4'-P energy: -15.647 bonds (distance) P-C4' energy: -17.668 flat angles C4'-P-C4' energy: -15.079 flat angles P-C4'-P energy: -11.674 tors. eta vs tors. theta energy: -15.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -217.205844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.205844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.205844 (E_RNA) where: Base-Base interactions energy: -146.698 where: short stacking energy: -74.332 Base-Backbone interact. energy: -0.504 local terms energy: -70.003740 where: bonds (distance) C4'-P energy: -16.449 bonds (distance) P-C4' energy: -18.417 flat angles C4'-P-C4' energy: -15.005 flat angles P-C4'-P energy: -5.696 tors. eta vs tors. theta energy: -14.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -208.702929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.702929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.702929 (E_RNA) where: Base-Base interactions energy: -143.349 where: short stacking energy: -63.897 Base-Backbone interact. energy: -0.378 local terms energy: -64.976002 where: bonds (distance) C4'-P energy: -11.876 bonds (distance) P-C4' energy: -14.037 flat angles C4'-P-C4' energy: -13.195 flat angles P-C4'-P energy: -8.443 tors. eta vs tors. theta energy: -17.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -206.019340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.019340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.019340 (E_RNA) where: Base-Base interactions energy: -129.324 where: short stacking energy: -58.146 Base-Backbone interact. energy: -0.383 local terms energy: -76.312301 where: bonds (distance) C4'-P energy: -17.496 bonds (distance) P-C4' energy: -19.087 flat angles C4'-P-C4' energy: -13.587 flat angles P-C4'-P energy: -11.725 tors. eta vs tors. theta energy: -14.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -201.188764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.188764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.188764 (E_RNA) where: Base-Base interactions energy: -134.800 where: short stacking energy: -64.494 Base-Backbone interact. energy: -0.153 local terms energy: -66.236067 where: bonds (distance) C4'-P energy: -10.972 bonds (distance) P-C4' energy: -12.468 flat angles C4'-P-C4' energy: -17.459 flat angles P-C4'-P energy: -7.815 tors. eta vs tors. theta energy: -17.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -108.656907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.656907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.656907 (E_RNA) where: Base-Base interactions energy: -48.443 where: short stacking energy: -42.384 Base-Backbone interact. energy: 0.079 local terms energy: -60.293232 where: bonds (distance) C4'-P energy: -10.981 bonds (distance) P-C4' energy: -18.132 flat angles C4'-P-C4' energy: -14.072 flat angles P-C4'-P energy: -12.307 tors. eta vs tors. theta energy: -4.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -286.732026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.732026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.732026 (E_RNA) where: Base-Base interactions energy: -201.396 where: short stacking energy: -81.740 Base-Backbone interact. energy: -0.930 local terms energy: -84.406367 where: bonds (distance) C4'-P energy: -15.063 bonds (distance) P-C4' energy: -16.962 flat angles C4'-P-C4' energy: -18.961 flat angles P-C4'-P energy: -12.702 tors. eta vs tors. theta energy: -20.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -268.918338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.918338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.918338 (E_RNA) where: Base-Base interactions energy: -194.377 where: short stacking energy: -90.381 Base-Backbone interact. energy: 2.345 local terms energy: -76.885447 where: bonds (distance) C4'-P energy: -12.937 bonds (distance) P-C4' energy: -17.654 flat angles C4'-P-C4' energy: -17.480 flat angles P-C4'-P energy: -12.725 tors. eta vs tors. theta energy: -16.089 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: 6 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -253.679262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.679262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.679262 (E_RNA) where: Base-Base interactions energy: -175.523 where: short stacking energy: -68.945 Base-Backbone interact. energy: -1.173 local terms energy: -76.983175 where: bonds (distance) C4'-P energy: -16.076 bonds (distance) P-C4' energy: -18.203 flat angles C4'-P-C4' energy: -20.079 flat angles P-C4'-P energy: -11.256 tors. eta vs tors. theta energy: -11.368 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: 4, replica: 3 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -271.938829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.938829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.938829 (E_RNA) where: Base-Base interactions energy: -195.312 where: short stacking energy: -85.041 Base-Backbone interact. energy: -2.367 local terms energy: -74.259489 where: bonds (distance) C4'-P energy: -17.017 bonds (distance) P-C4' energy: -12.911 flat angles C4'-P-C4' energy: -17.783 flat angles P-C4'-P energy: -5.560 tors. eta vs tors. theta energy: -20.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -214.852759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.852759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.852759 (E_RNA) where: Base-Base interactions energy: -151.474 where: short stacking energy: -74.650 Base-Backbone interact. energy: -0.094 local terms energy: -63.284674 where: bonds (distance) C4'-P energy: -11.353 bonds (distance) P-C4' energy: -13.757 flat angles C4'-P-C4' energy: -17.801 flat angles P-C4'-P energy: -8.239 tors. eta vs tors. theta energy: -12.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -238.003874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.003874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.003874 (E_RNA) where: Base-Base interactions energy: -160.636 where: short stacking energy: -82.711 Base-Backbone interact. energy: -0.334 local terms energy: -77.034651 where: bonds (distance) C4'-P energy: -12.957 bonds (distance) P-C4' energy: -19.410 flat angles C4'-P-C4' energy: -15.611 flat angles P-C4'-P energy: -10.554 tors. eta vs tors. theta energy: -18.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -213.536438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.536438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.536438 (E_RNA) where: Base-Base interactions energy: -139.412 where: short stacking energy: -66.410 Base-Backbone interact. energy: 0.045 local terms energy: -74.169363 where: bonds (distance) C4'-P energy: -12.559 bonds (distance) P-C4' energy: -15.356 flat angles C4'-P-C4' energy: -18.758 flat angles P-C4'-P energy: -13.209 tors. eta vs tors. theta energy: -14.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -238.226601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.226601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.226601 (E_RNA) where: Base-Base interactions energy: -158.705 where: short stacking energy: -83.903 Base-Backbone interact. energy: -0.068 local terms energy: -79.453869 where: bonds (distance) C4'-P energy: -15.312 bonds (distance) P-C4' energy: -15.166 flat angles C4'-P-C4' energy: -17.549 flat angles P-C4'-P energy: -8.556 tors. eta vs tors. theta energy: -22.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -200.250593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.250593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.250593 (E_RNA) where: Base-Base interactions energy: -134.400 where: short stacking energy: -67.202 Base-Backbone interact. energy: 1.815 local terms energy: -67.666440 where: bonds (distance) C4'-P energy: -18.757 bonds (distance) P-C4' energy: -14.612 flat angles C4'-P-C4' energy: -14.005 flat angles P-C4'-P energy: 0.844 tors. eta vs tors. theta energy: -21.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -109.882686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.882686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.882686 (E_RNA) where: Base-Base interactions energy: -44.198 where: short stacking energy: -43.362 Base-Backbone interact. energy: -0.211 local terms energy: -65.473205 where: bonds (distance) C4'-P energy: -18.268 bonds (distance) P-C4' energy: -19.242 flat angles C4'-P-C4' energy: -10.177 flat angles P-C4'-P energy: -8.214 tors. eta vs tors. theta energy: -9.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -292.430072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.430072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.430072 (E_RNA) where: Base-Base interactions energy: -212.648 where: short stacking energy: -84.128 Base-Backbone interact. energy: -0.394 local terms energy: -79.387881 where: bonds (distance) C4'-P energy: -15.686 bonds (distance) P-C4' energy: -19.426 flat angles C4'-P-C4' energy: -16.906 flat angles P-C4'-P energy: -7.287 tors. eta vs tors. theta energy: -20.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -251.784702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.784702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.784702 (E_RNA) where: Base-Base interactions energy: -172.604 where: short stacking energy: -77.426 Base-Backbone interact. energy: -0.424 local terms energy: -78.757541 where: bonds (distance) C4'-P energy: -17.940 bonds (distance) P-C4' energy: -16.800 flat angles C4'-P-C4' energy: -15.943 flat angles P-C4'-P energy: -11.848 tors. eta vs tors. theta energy: -16.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -281.504847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.504847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.504847 (E_RNA) where: Base-Base interactions energy: -198.933 where: short stacking energy: -96.338 Base-Backbone interact. energy: -0.959 local terms energy: -81.612390 where: bonds (distance) C4'-P energy: -14.811 bonds (distance) P-C4' energy: -15.859 flat angles C4'-P-C4' energy: -16.810 flat angles P-C4'-P energy: -11.634 tors. eta vs tors. theta energy: -22.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -285.527063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.527063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.527063 (E_RNA) where: Base-Base interactions energy: -203.038 where: short stacking energy: -86.568 Base-Backbone interact. energy: -0.494 local terms energy: -81.994897 where: bonds (distance) C4'-P energy: -17.072 bonds (distance) P-C4' energy: -16.472 flat angles C4'-P-C4' energy: -18.726 flat angles P-C4'-P energy: -6.333 tors. eta vs tors. theta energy: -23.392 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: 9 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -233.812882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.812882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.812882 (E_RNA) where: Base-Base interactions energy: -161.156 where: short stacking energy: -73.159 Base-Backbone interact. energy: -1.512 local terms energy: -71.145287 where: bonds (distance) C4'-P energy: -14.091 bonds (distance) P-C4' energy: -17.506 flat angles C4'-P-C4' energy: -14.127 flat angles P-C4'-P energy: -9.099 tors. eta vs tors. theta energy: -16.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -231.527294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.527294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.527294 (E_RNA) where: Base-Base interactions energy: -154.028 where: short stacking energy: -70.891 Base-Backbone interact. energy: -0.666 local terms energy: -76.834143 where: bonds (distance) C4'-P energy: -14.864 bonds (distance) P-C4' energy: -14.732 flat angles C4'-P-C4' energy: -19.377 flat angles P-C4'-P energy: -8.434 tors. eta vs tors. theta energy: -19.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -228.821994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.821994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.821994 (E_RNA) where: Base-Base interactions energy: -158.052 where: short stacking energy: -70.288 Base-Backbone interact. energy: -0.109 local terms energy: -70.661596 where: bonds (distance) C4'-P energy: -13.027 bonds (distance) P-C4' energy: -12.253 flat angles C4'-P-C4' energy: -18.179 flat angles P-C4'-P energy: -9.537 tors. eta vs tors. theta energy: -17.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -219.297735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.297735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.297735 (E_RNA) where: Base-Base interactions energy: -148.203 where: short stacking energy: -67.217 Base-Backbone interact. energy: -0.197 local terms energy: -70.897445 where: bonds (distance) C4'-P energy: -15.238 bonds (distance) P-C4' energy: -15.777 flat angles C4'-P-C4' energy: -14.992 flat angles P-C4'-P energy: -7.686 tors. eta vs tors. theta energy: -17.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -209.314700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.314700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.314700 (E_RNA) where: Base-Base interactions energy: -132.658 where: short stacking energy: -67.423 Base-Backbone interact. energy: -0.233 local terms energy: -76.423341 where: bonds (distance) C4'-P energy: -14.168 bonds (distance) P-C4' energy: -18.622 flat angles C4'-P-C4' energy: -16.265 flat angles P-C4'-P energy: -12.317 tors. eta vs tors. theta energy: -15.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -96.023322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.023322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.023322 (E_RNA) where: Base-Base interactions energy: -47.083 where: short stacking energy: -46.202 Base-Backbone interact. energy: 0.282 local terms energy: -49.222297 where: bonds (distance) C4'-P energy: -10.090 bonds (distance) P-C4' energy: -11.387 flat angles C4'-P-C4' energy: -12.126 flat angles P-C4'-P energy: -6.852 tors. eta vs tors. theta energy: -8.767 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: 4 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -284.657485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.657485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.657485 (E_RNA) where: Base-Base interactions energy: -200.066 where: short stacking energy: -87.224 Base-Backbone interact. energy: 0.552 local terms energy: -85.143497 where: bonds (distance) C4'-P energy: -16.747 bonds (distance) P-C4' energy: -18.859 flat angles C4'-P-C4' energy: -18.999 flat angles P-C4'-P energy: -11.133 tors. eta vs tors. theta energy: -19.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -257.322372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.322372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.322372 (E_RNA) where: Base-Base interactions energy: -180.070 where: short stacking energy: -86.071 Base-Backbone interact. energy: -0.892 local terms energy: -76.360498 where: bonds (distance) C4'-P energy: -12.704 bonds (distance) P-C4' energy: -17.878 flat angles C4'-P-C4' energy: -18.201 flat angles P-C4'-P energy: -9.581 tors. eta vs tors. theta energy: -17.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -285.792020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.792020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.792020 (E_RNA) where: Base-Base interactions energy: -197.536 where: short stacking energy: -86.496 Base-Backbone interact. energy: -1.737 local terms energy: -86.518208 where: bonds (distance) C4'-P energy: -17.209 bonds (distance) P-C4' energy: -19.454 flat angles C4'-P-C4' energy: -17.104 flat angles P-C4'-P energy: -8.690 tors. eta vs tors. theta energy: -24.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -266.264995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.264995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.264995 (E_RNA) where: Base-Base interactions energy: -188.317 where: short stacking energy: -88.889 Base-Backbone interact. energy: 0.148 local terms energy: -78.096287 where: bonds (distance) C4'-P energy: -15.836 bonds (distance) P-C4' energy: -16.800 flat angles C4'-P-C4' energy: -18.531 flat angles P-C4'-P energy: -6.041 tors. eta vs tors. theta energy: -20.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -240.656261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.656261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.656261 (E_RNA) where: Base-Base interactions energy: -163.839 where: short stacking energy: -87.142 Base-Backbone interact. energy: -0.093 local terms energy: -76.723968 where: bonds (distance) C4'-P energy: -10.667 bonds (distance) P-C4' energy: -20.007 flat angles C4'-P-C4' energy: -16.550 flat angles P-C4'-P energy: -9.093 tors. eta vs tors. theta energy: -20.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -233.483888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.483888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.483888 (E_RNA) where: Base-Base interactions energy: -166.621 where: short stacking energy: -88.587 Base-Backbone interact. energy: 2.584 local terms energy: -69.446424 where: bonds (distance) C4'-P energy: -16.370 bonds (distance) P-C4' energy: -16.264 flat angles C4'-P-C4' energy: -12.485 flat angles P-C4'-P energy: -6.625 tors. eta vs tors. theta energy: -17.702 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: 2 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -215.018277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.018277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.018277 (E_RNA) where: Base-Base interactions energy: -144.824 where: short stacking energy: -69.578 Base-Backbone interact. energy: -0.442 local terms energy: -69.752754 where: bonds (distance) C4'-P energy: -16.339 bonds (distance) P-C4' energy: -16.010 flat angles C4'-P-C4' energy: -15.113 flat angles P-C4'-P energy: -8.149 tors. eta vs tors. theta energy: -14.141 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: 8 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -206.531104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.531104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.531104 (E_RNA) where: Base-Base interactions energy: -134.840 where: short stacking energy: -58.193 Base-Backbone interact. energy: -0.105 local terms energy: -71.586200 where: bonds (distance) C4'-P energy: -19.398 bonds (distance) P-C4' energy: -15.970 flat angles C4'-P-C4' energy: -18.704 flat angles P-C4'-P energy: -7.631 tors. eta vs tors. theta energy: -9.884 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: 5 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -210.358291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.358291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.358291 (E_RNA) where: Base-Base interactions energy: -134.687 where: short stacking energy: -58.723 Base-Backbone interact. energy: -0.216 local terms energy: -75.455161 where: bonds (distance) C4'-P energy: -14.127 bonds (distance) P-C4' energy: -16.547 flat angles C4'-P-C4' energy: -15.073 flat angles P-C4'-P energy: -13.276 tors. eta vs tors. theta energy: -16.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -113.795791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.795791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.795791 (E_RNA) where: Base-Base interactions energy: -50.216 where: short stacking energy: -48.464 Base-Backbone interact. energy: -0.016 local terms energy: -63.564092 where: bonds (distance) C4'-P energy: -18.505 bonds (distance) P-C4' energy: -17.919 flat angles C4'-P-C4' energy: -11.077 flat angles P-C4'-P energy: -13.019 tors. eta vs tors. theta energy: -3.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -294.982036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.982036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.982036 (E_RNA) where: Base-Base interactions energy: -212.937 where: short stacking energy: -90.220 Base-Backbone interact. energy: -1.129 local terms energy: -80.916159 where: bonds (distance) C4'-P energy: -16.409 bonds (distance) P-C4' energy: -14.817 flat angles C4'-P-C4' energy: -20.495 flat angles P-C4'-P energy: -8.913 tors. eta vs tors. theta energy: -20.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -291.621959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.621959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.621959 (E_RNA) where: Base-Base interactions energy: -206.738 where: short stacking energy: -94.199 Base-Backbone interact. energy: -0.742 local terms energy: -84.141737 where: bonds (distance) C4'-P energy: -14.496 bonds (distance) P-C4' energy: -18.850 flat angles C4'-P-C4' energy: -15.539 flat angles P-C4'-P energy: -10.415 tors. eta vs tors. theta energy: -24.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -238.527518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.527518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.527518 (E_RNA) where: Base-Base interactions energy: -160.106 where: short stacking energy: -78.903 Base-Backbone interact. energy: 1.670 local terms energy: -80.091710 where: bonds (distance) C4'-P energy: -18.441 bonds (distance) P-C4' energy: -17.431 flat angles C4'-P-C4' energy: -19.015 flat angles P-C4'-P energy: -9.163 tors. eta vs tors. theta energy: -16.042 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: 7 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -263.261333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.261333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.261333 (E_RNA) where: Base-Base interactions energy: -189.786 where: short stacking energy: -86.880 Base-Backbone interact. energy: -0.251 local terms energy: -73.224916 where: bonds (distance) C4'-P energy: -14.863 bonds (distance) P-C4' energy: -19.003 flat angles C4'-P-C4' energy: -15.276 flat angles P-C4'-P energy: -7.134 tors. eta vs tors. theta energy: -16.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -227.632930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.632930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.632930 (E_RNA) where: Base-Base interactions energy: -151.152 where: short stacking energy: -65.810 Base-Backbone interact. energy: -0.021 local terms energy: -76.459504 where: bonds (distance) C4'-P energy: -12.235 bonds (distance) P-C4' energy: -18.354 flat angles C4'-P-C4' energy: -17.156 flat angles P-C4'-P energy: -10.265 tors. eta vs tors. theta energy: -18.450 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: 6, replica: 2 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -217.388343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.388343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.388343 (E_RNA) where: Base-Base interactions energy: -147.092 where: short stacking energy: -68.473 Base-Backbone interact. energy: -0.005 local terms energy: -70.290994 where: bonds (distance) C4'-P energy: -17.311 bonds (distance) P-C4' energy: -13.828 flat angles C4'-P-C4' energy: -10.140 flat angles P-C4'-P energy: -13.306 tors. eta vs tors. theta energy: -15.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -234.535787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.535787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.535787 (E_RNA) where: Base-Base interactions energy: -153.191 where: short stacking energy: -76.168 Base-Backbone interact. energy: -0.107 local terms energy: -81.238066 where: bonds (distance) C4'-P energy: -14.436 bonds (distance) P-C4' energy: -17.411 flat angles C4'-P-C4' energy: -20.308 flat angles P-C4'-P energy: -7.947 tors. eta vs tors. theta energy: -21.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -201.491429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.491429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.491429 (E_RNA) where: Base-Base interactions energy: -136.401 where: short stacking energy: -60.890 Base-Backbone interact. energy: -0.134 local terms energy: -64.957104 where: bonds (distance) C4'-P energy: -16.633 bonds (distance) P-C4' energy: -15.289 flat angles C4'-P-C4' energy: -10.584 flat angles P-C4'-P energy: -11.357 tors. eta vs tors. theta energy: -11.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -188.350019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.350019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.350019 (E_RNA) where: Base-Base interactions energy: -126.659 where: short stacking energy: -56.335 Base-Backbone interact. energy: 0.117 local terms energy: -61.807516 where: bonds (distance) C4'-P energy: -12.551 bonds (distance) P-C4' energy: -18.044 flat angles C4'-P-C4' energy: -13.790 flat angles P-C4'-P energy: -9.217 tors. eta vs tors. theta energy: -8.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -103.516023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.516023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.516023 (E_RNA) where: Base-Base interactions energy: -53.889 where: short stacking energy: -39.320 Base-Backbone interact. energy: -0.198 local terms energy: -49.429686 where: bonds (distance) C4'-P energy: -13.275 bonds (distance) P-C4' energy: -16.514 flat angles C4'-P-C4' energy: -9.472 flat angles P-C4'-P energy: -9.032 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: 3 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -297.053728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.053728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.053728 (E_RNA) where: Base-Base interactions energy: -209.054 where: short stacking energy: -92.206 Base-Backbone interact. energy: -2.538 local terms energy: -85.461701 where: bonds (distance) C4'-P energy: -14.038 bonds (distance) P-C4' energy: -17.198 flat angles C4'-P-C4' energy: -16.921 flat angles P-C4'-P energy: -14.629 tors. eta vs tors. theta energy: -22.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -282.422569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.422569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.422569 (E_RNA) where: Base-Base interactions energy: -198.641 where: short stacking energy: -86.613 Base-Backbone interact. energy: -1.017 local terms energy: -82.764649 where: bonds (distance) C4'-P energy: -16.588 bonds (distance) P-C4' energy: -18.093 flat angles C4'-P-C4' energy: -16.078 flat angles P-C4'-P energy: -9.800 tors. eta vs tors. theta energy: -22.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -277.310274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.310274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.310274 (E_RNA) where: Base-Base interactions energy: -195.087 where: short stacking energy: -88.229 Base-Backbone interact. energy: -0.003 local terms energy: -82.221108 where: bonds (distance) C4'-P energy: -17.266 bonds (distance) P-C4' energy: -18.288 flat angles C4'-P-C4' energy: -17.593 flat angles P-C4'-P energy: -7.942 tors. eta vs tors. theta energy: -21.133 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: 4, replica: 6 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -226.348743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.348743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.348743 (E_RNA) where: Base-Base interactions energy: -146.499 where: short stacking energy: -69.888 Base-Backbone interact. energy: -2.285 local terms energy: -77.565108 where: bonds (distance) C4'-P energy: -15.039 bonds (distance) P-C4' energy: -16.381 flat angles C4'-P-C4' energy: -19.489 flat angles P-C4'-P energy: -11.335 tors. eta vs tors. theta energy: -15.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -240.749601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.749601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.749601 (E_RNA) where: Base-Base interactions energy: -164.334 where: short stacking energy: -80.623 Base-Backbone interact. energy: -1.084 local terms energy: -75.331185 where: bonds (distance) C4'-P energy: -14.253 bonds (distance) P-C4' energy: -15.324 flat angles C4'-P-C4' energy: -16.085 flat angles P-C4'-P energy: -11.646 tors. eta vs tors. theta energy: -18.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -229.468357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.468357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.468357 (E_RNA) where: Base-Base interactions energy: -153.866 where: short stacking energy: -79.747 Base-Backbone interact. energy: -0.507 local terms energy: -75.095449 where: bonds (distance) C4'-P energy: -12.980 bonds (distance) P-C4' energy: -16.196 flat angles C4'-P-C4' energy: -14.557 flat angles P-C4'-P energy: -10.216 tors. eta vs tors. theta energy: -21.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -241.942849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.942849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.942849 (E_RNA) where: Base-Base interactions energy: -165.910 where: short stacking energy: -86.206 Base-Backbone interact. energy: -0.001 local terms energy: -76.031909 where: bonds (distance) C4'-P energy: -13.770 bonds (distance) P-C4' energy: -18.216 flat angles C4'-P-C4' energy: -17.334 flat angles P-C4'-P energy: -10.378 tors. eta vs tors. theta energy: -16.335 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: 9 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -213.633936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.633936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.633936 (E_RNA) where: Base-Base interactions energy: -141.961 where: short stacking energy: -68.052 Base-Backbone interact. energy: -0.109 local terms energy: -71.563987 where: bonds (distance) C4'-P energy: -14.107 bonds (distance) P-C4' energy: -14.073 flat angles C4'-P-C4' energy: -17.286 flat angles P-C4'-P energy: -11.083 tors. eta vs tors. theta energy: -15.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -204.740348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.740348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.740348 (E_RNA) where: Base-Base interactions energy: -142.015 where: short stacking energy: -63.479 Base-Backbone interact. energy: -0.135 local terms energy: -62.590371 where: bonds (distance) C4'-P energy: -2.525 bonds (distance) P-C4' energy: -15.630 flat angles C4'-P-C4' energy: -17.314 flat angles P-C4'-P energy: -9.160 tors. eta vs tors. theta energy: -17.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -107.109953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.109953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.109953 (E_RNA) where: Base-Base interactions energy: -52.975 where: short stacking energy: -44.767 Base-Backbone interact. energy: -0.252 local terms energy: -53.882973 where: bonds (distance) C4'-P energy: -14.525 bonds (distance) P-C4' energy: -16.670 flat angles C4'-P-C4' energy: -11.552 flat angles P-C4'-P energy: -5.685 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: 1, replica: 3 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -298.984538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.984538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.984538 (E_RNA) where: Base-Base interactions energy: -207.159 where: short stacking energy: -91.630 Base-Backbone interact. energy: -2.499 local terms energy: -89.326536 where: bonds (distance) C4'-P energy: -15.669 bonds (distance) P-C4' energy: -20.129 flat angles C4'-P-C4' energy: -16.397 flat angles P-C4'-P energy: -12.141 tors. eta vs tors. theta energy: -24.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -274.921097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.921097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.921097 (E_RNA) where: Base-Base interactions energy: -190.609 where: short stacking energy: -83.313 Base-Backbone interact. energy: -0.781 local terms energy: -83.530611 where: bonds (distance) C4'-P energy: -16.785 bonds (distance) P-C4' energy: -17.073 flat angles C4'-P-C4' energy: -18.591 flat angles P-C4'-P energy: -13.369 tors. eta vs tors. theta energy: -17.713 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: 3, replica: 4 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -277.077830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.077830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.077830 (E_RNA) where: Base-Base interactions energy: -193.403 where: short stacking energy: -81.667 Base-Backbone interact. energy: -1.002 local terms energy: -82.672527 where: bonds (distance) C4'-P energy: -15.285 bonds (distance) P-C4' energy: -18.340 flat angles C4'-P-C4' energy: -19.585 flat angles P-C4'-P energy: -10.316 tors. eta vs tors. theta energy: -19.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -235.560010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.560010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.560010 (E_RNA) where: Base-Base interactions energy: -158.459 where: short stacking energy: -77.918 Base-Backbone interact. energy: 0.576 local terms energy: -77.677248 where: bonds (distance) C4'-P energy: -17.982 bonds (distance) P-C4' energy: -13.680 flat angles C4'-P-C4' energy: -16.075 flat angles P-C4'-P energy: -9.642 tors. eta vs tors. theta energy: -20.298 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: 6 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -215.265750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.265750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.265750 (E_RNA) where: Base-Base interactions energy: -144.320 where: short stacking energy: -64.870 Base-Backbone interact. energy: 3.251 local terms energy: -74.197079 where: bonds (distance) C4'-P energy: -15.101 bonds (distance) P-C4' energy: -17.469 flat angles C4'-P-C4' energy: -18.441 flat angles P-C4'-P energy: -11.440 tors. eta vs tors. theta energy: -11.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -228.589862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.589862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.589862 (E_RNA) where: Base-Base interactions energy: -153.883 where: short stacking energy: -78.316 Base-Backbone interact. energy: -0.158 local terms energy: -74.548880 where: bonds (distance) C4'-P energy: -10.059 bonds (distance) P-C4' energy: -15.347 flat angles C4'-P-C4' energy: -17.769 flat angles P-C4'-P energy: -10.989 tors. eta vs tors. theta energy: -20.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -214.426124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.426124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.426124 (E_RNA) where: Base-Base interactions energy: -147.931 where: short stacking energy: -70.008 Base-Backbone interact. energy: -0.196 local terms energy: -66.299166 where: bonds (distance) C4'-P energy: -15.834 bonds (distance) P-C4' energy: -13.841 flat angles C4'-P-C4' energy: -16.632 flat angles P-C4'-P energy: -6.652 tors. eta vs tors. theta energy: -13.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -203.309865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.309865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.309865 (E_RNA) where: Base-Base interactions energy: -138.166 where: short stacking energy: -56.304 Base-Backbone interact. energy: -2.180 local terms energy: -62.964153 where: bonds (distance) C4'-P energy: -11.900 bonds (distance) P-C4' energy: -14.033 flat angles C4'-P-C4' energy: -13.512 flat angles P-C4'-P energy: -10.439 tors. eta vs tors. theta energy: -13.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -199.382097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.382097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.382097 (E_RNA) where: Base-Base interactions energy: -133.694 where: short stacking energy: -60.649 Base-Backbone interact. energy: -0.146 local terms energy: -65.542038 where: bonds (distance) C4'-P energy: -14.290 bonds (distance) P-C4' energy: -16.539 flat angles C4'-P-C4' energy: -14.907 flat angles P-C4'-P energy: -5.737 tors. eta vs tors. theta energy: -14.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -102.491414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.491414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.491414 (E_RNA) where: Base-Base interactions energy: -45.472 where: short stacking energy: -43.417 Base-Backbone interact. energy: -0.197 local terms energy: -56.823026 where: bonds (distance) C4'-P energy: -14.885 bonds (distance) P-C4' energy: -16.291 flat angles C4'-P-C4' energy: -7.874 flat angles P-C4'-P energy: -11.595 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: 1, replica: 7 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -280.821240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.821240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.821240 (E_RNA) where: Base-Base interactions energy: -191.328 where: short stacking energy: -87.108 Base-Backbone interact. energy: -1.491 local terms energy: -88.002042 where: bonds (distance) C4'-P energy: -18.018 bonds (distance) P-C4' energy: -16.888 flat angles C4'-P-C4' energy: -19.857 flat angles P-C4'-P energy: -13.508 tors. eta vs tors. theta energy: -19.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -281.973689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.973689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.973689 (E_RNA) where: Base-Base interactions energy: -197.226 where: short stacking energy: -86.033 Base-Backbone interact. energy: -2.390 local terms energy: -82.358040 where: bonds (distance) C4'-P energy: -11.178 bonds (distance) P-C4' energy: -19.094 flat angles C4'-P-C4' energy: -17.891 flat angles P-C4'-P energy: -9.437 tors. eta vs tors. theta energy: -24.758 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: 4 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -276.869964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.869964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.869964 (E_RNA) where: Base-Base interactions energy: -193.285 where: short stacking energy: -82.357 Base-Backbone interact. energy: -1.714 local terms energy: -81.871688 where: bonds (distance) C4'-P energy: -19.124 bonds (distance) P-C4' energy: -14.340 flat angles C4'-P-C4' energy: -17.757 flat angles P-C4'-P energy: -8.740 tors. eta vs tors. theta energy: -21.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -246.585942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.585942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.585942 (E_RNA) where: Base-Base interactions energy: -171.984 where: short stacking energy: -85.870 Base-Backbone interact. energy: -0.723 local terms energy: -73.878630 where: bonds (distance) C4'-P energy: -12.550 bonds (distance) P-C4' energy: -16.463 flat angles C4'-P-C4' energy: -15.423 flat angles P-C4'-P energy: -10.438 tors. eta vs tors. theta energy: -19.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -216.896148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.896148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.896148 (E_RNA) where: Base-Base interactions energy: -140.333 where: short stacking energy: -67.244 Base-Backbone interact. energy: -0.495 local terms energy: -76.068289 where: bonds (distance) C4'-P energy: -15.146 bonds (distance) P-C4' energy: -20.807 flat angles C4'-P-C4' energy: -14.393 flat angles P-C4'-P energy: -12.475 tors. eta vs tors. theta energy: -13.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -236.838815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.838815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.838815 (E_RNA) where: Base-Base interactions energy: -156.025 where: short stacking energy: -82.221 Base-Backbone interact. energy: -0.285 local terms energy: -80.528712 where: bonds (distance) C4'-P energy: -17.108 bonds (distance) P-C4' energy: -15.675 flat angles C4'-P-C4' energy: -13.069 flat angles P-C4'-P energy: -12.449 tors. eta vs tors. theta energy: -22.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -221.130043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.130043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.130043 (E_RNA) where: Base-Base interactions energy: -146.084 where: short stacking energy: -71.752 Base-Backbone interact. energy: -0.135 local terms energy: -74.910795 where: bonds (distance) C4'-P energy: -11.460 bonds (distance) P-C4' energy: -17.786 flat angles C4'-P-C4' energy: -17.503 flat angles P-C4'-P energy: -12.087 tors. eta vs tors. theta energy: -16.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -207.412029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.412029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.412029 (E_RNA) where: Base-Base interactions energy: -147.014 where: short stacking energy: -71.915 Base-Backbone interact. energy: 0.295 local terms energy: -60.692911 where: bonds (distance) C4'-P energy: -14.078 bonds (distance) P-C4' energy: -11.201 flat angles C4'-P-C4' energy: -10.636 flat angles P-C4'-P energy: -9.882 tors. eta vs tors. theta energy: -14.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -211.734334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.734334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.734334 (E_RNA) where: Base-Base interactions energy: -147.605 where: short stacking energy: -71.891 Base-Backbone interact. energy: -0.049 local terms energy: -64.079591 where: bonds (distance) C4'-P energy: -12.952 bonds (distance) P-C4' energy: -16.241 flat angles C4'-P-C4' energy: -11.537 flat angles P-C4'-P energy: -6.550 tors. eta vs tors. theta energy: -16.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -95.771609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.771609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.771609 (E_RNA) where: Base-Base interactions energy: -51.273 where: short stacking energy: -46.581 Base-Backbone interact. energy: -0.067 local terms energy: -44.432003 where: bonds (distance) C4'-P energy: -10.430 bonds (distance) P-C4' energy: -11.570 flat angles C4'-P-C4' energy: -8.940 flat angles P-C4'-P energy: -5.770 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: 1, replica: 7 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -279.962319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.962319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.962319 (E_RNA) where: Base-Base interactions energy: -191.583 where: short stacking energy: -91.646 Base-Backbone interact. energy: 0.155 local terms energy: -88.533965 where: bonds (distance) C4'-P energy: -17.987 bonds (distance) P-C4' energy: -17.417 flat angles C4'-P-C4' energy: -17.748 flat angles P-C4'-P energy: -14.371 tors. eta vs tors. theta energy: -21.011 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: 4 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -282.678278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.678278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.678278 (E_RNA) where: Base-Base interactions energy: -199.467 where: short stacking energy: -86.111 Base-Backbone interact. energy: -1.191 local terms energy: -82.020655 where: bonds (distance) C4'-P energy: -14.967 bonds (distance) P-C4' energy: -17.341 flat angles C4'-P-C4' energy: -15.739 flat angles P-C4'-P energy: -10.889 tors. eta vs tors. theta energy: -23.083 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: 3 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -285.554746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.554746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.554746 (E_RNA) where: Base-Base interactions energy: -204.881 where: short stacking energy: -90.188 Base-Backbone interact. energy: 1.293 local terms energy: -81.966490 where: bonds (distance) C4'-P energy: -15.758 bonds (distance) P-C4' energy: -19.393 flat angles C4'-P-C4' energy: -14.244 flat angles P-C4'-P energy: -10.253 tors. eta vs tors. theta energy: -22.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -227.728566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.728566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.728566 (E_RNA) where: Base-Base interactions energy: -157.388 where: short stacking energy: -76.537 Base-Backbone interact. energy: -0.884 local terms energy: -69.456815 where: bonds (distance) C4'-P energy: -17.593 bonds (distance) P-C4' energy: -15.437 flat angles C4'-P-C4' energy: -14.585 flat angles P-C4'-P energy: -5.943 tors. eta vs tors. theta energy: -15.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -239.049934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.049934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.049934 (E_RNA) where: Base-Base interactions energy: -160.586 where: short stacking energy: -79.969 Base-Backbone interact. energy: -0.009 local terms energy: -78.455338 where: bonds (distance) C4'-P energy: -17.659 bonds (distance) P-C4' energy: -18.779 flat angles C4'-P-C4' energy: -15.099 flat angles P-C4'-P energy: -7.544 tors. eta vs tors. theta energy: -19.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -222.318680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.318680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.318680 (E_RNA) where: Base-Base interactions energy: -144.923 where: short stacking energy: -65.723 Base-Backbone interact. energy: -0.218 local terms energy: -77.177967 where: bonds (distance) C4'-P energy: -10.287 bonds (distance) P-C4' energy: -19.098 flat angles C4'-P-C4' energy: -18.609 flat angles P-C4'-P energy: -11.289 tors. eta vs tors. theta energy: -17.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -223.261069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.261069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.261069 (E_RNA) where: Base-Base interactions energy: -151.118 where: short stacking energy: -82.310 Base-Backbone interact. energy: -0.978 local terms energy: -71.165622 where: bonds (distance) C4'-P energy: -16.314 bonds (distance) P-C4' energy: -14.688 flat angles C4'-P-C4' energy: -14.282 flat angles P-C4'-P energy: -1.643 tors. eta vs tors. theta energy: -24.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -215.626160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.626160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.626160 (E_RNA) where: Base-Base interactions energy: -149.949 where: short stacking energy: -69.617 Base-Backbone interact. energy: -0.610 local terms energy: -65.067837 where: bonds (distance) C4'-P energy: -13.971 bonds (distance) P-C4' energy: -15.552 flat angles C4'-P-C4' energy: -7.531 flat angles P-C4'-P energy: -10.604 tors. eta vs tors. theta energy: -17.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -198.233700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.233700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.233700 (E_RNA) where: Base-Base interactions energy: -133.385 where: short stacking energy: -60.124 Base-Backbone interact. energy: 0.385 local terms energy: -65.233023 where: bonds (distance) C4'-P energy: -13.138 bonds (distance) P-C4' energy: -12.362 flat angles C4'-P-C4' energy: -13.864 flat angles P-C4'-P energy: -9.388 tors. eta vs tors. theta energy: -16.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -100.169644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.169644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.169644 (E_RNA) where: Base-Base interactions energy: -39.316 where: short stacking energy: -30.755 Base-Backbone interact. energy: -0.148 local terms energy: -60.705250 where: bonds (distance) C4'-P energy: -19.886 bonds (distance) P-C4' energy: -16.747 flat angles C4'-P-C4' energy: -12.715 flat angles P-C4'-P energy: -7.170 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: 1, replica: 4 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -290.312000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.312000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.312000 (E_RNA) where: Base-Base interactions energy: -210.002 where: short stacking energy: -94.388 Base-Backbone interact. energy: -1.815 local terms energy: -78.494832 where: bonds (distance) C4'-P energy: -15.287 bonds (distance) P-C4' energy: -16.686 flat angles C4'-P-C4' energy: -18.829 flat angles P-C4'-P energy: -6.651 tors. eta vs tors. theta energy: -21.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -283.269680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.269680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.269680 (E_RNA) where: Base-Base interactions energy: -201.817 where: short stacking energy: -86.621 Base-Backbone interact. energy: -1.618 local terms energy: -79.834907 where: bonds (distance) C4'-P energy: -16.620 bonds (distance) P-C4' energy: -16.791 flat angles C4'-P-C4' energy: -15.696 flat angles P-C4'-P energy: -9.707 tors. eta vs tors. theta energy: -21.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -279.696850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.696850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.696850 (E_RNA) where: Base-Base interactions energy: -202.501 where: short stacking energy: -91.984 Base-Backbone interact. energy: -2.395 local terms energy: -74.800528 where: bonds (distance) C4'-P energy: -13.531 bonds (distance) P-C4' energy: -15.550 flat angles C4'-P-C4' energy: -18.793 flat angles P-C4'-P energy: -4.766 tors. eta vs tors. theta energy: -22.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -241.226906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.226906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.226906 (E_RNA) where: Base-Base interactions energy: -161.056 where: short stacking energy: -86.112 Base-Backbone interact. energy: -0.016 local terms energy: -80.154986 where: bonds (distance) C4'-P energy: -14.851 bonds (distance) P-C4' energy: -18.741 flat angles C4'-P-C4' energy: -16.327 flat angles P-C4'-P energy: -11.215 tors. eta vs tors. theta energy: -19.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -230.915494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.915494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.915494 (E_RNA) where: Base-Base interactions energy: -157.630 where: short stacking energy: -74.505 Base-Backbone interact. energy: -0.128 local terms energy: -73.158043 where: bonds (distance) C4'-P energy: -15.828 bonds (distance) P-C4' energy: -13.444 flat angles C4'-P-C4' energy: -16.331 flat angles P-C4'-P energy: -9.142 tors. eta vs tors. theta energy: -18.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -217.063182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.063182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.063182 (E_RNA) where: Base-Base interactions energy: -154.189 where: short stacking energy: -77.214 Base-Backbone interact. energy: -0.127 local terms energy: -62.747215 where: bonds (distance) C4'-P energy: -15.489 bonds (distance) P-C4' energy: -8.727 flat angles C4'-P-C4' energy: -17.953 flat angles P-C4'-P energy: -6.130 tors. eta vs tors. theta energy: -14.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -237.496650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.496650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.496650 (E_RNA) where: Base-Base interactions energy: -163.366 where: short stacking energy: -83.040 Base-Backbone interact. energy: -0.213 local terms energy: -73.918019 where: bonds (distance) C4'-P energy: -14.369 bonds (distance) P-C4' energy: -12.941 flat angles C4'-P-C4' energy: -19.672 flat angles P-C4'-P energy: -10.180 tors. eta vs tors. theta energy: -16.756 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: 8, replica: 9 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -208.927794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.927794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.927794 (E_RNA) where: Base-Base interactions energy: -146.344 where: short stacking energy: -66.711 Base-Backbone interact. energy: -1.110 local terms energy: -61.473758 where: bonds (distance) C4'-P energy: -13.039 bonds (distance) P-C4' energy: -13.372 flat angles C4'-P-C4' energy: -12.377 flat angles P-C4'-P energy: -10.681 tors. eta vs tors. theta energy: -12.004 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: 2 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -204.779476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.779476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.779476 (E_RNA) where: Base-Base interactions energy: -136.539 where: short stacking energy: -61.241 Base-Backbone interact. energy: -0.987 local terms energy: -67.253623 where: bonds (distance) C4'-P energy: -14.836 bonds (distance) P-C4' energy: -11.934 flat angles C4'-P-C4' energy: -17.770 flat angles P-C4'-P energy: -3.268 tors. eta vs tors. theta energy: -19.446 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: 1 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -111.086442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.086442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.086442 (E_RNA) where: Base-Base interactions energy: -51.626 where: short stacking energy: -26.918 Base-Backbone interact. energy: -0.280 local terms energy: -59.180852 where: bonds (distance) C4'-P energy: -16.404 bonds (distance) P-C4' energy: -15.631 flat angles C4'-P-C4' energy: -18.606 flat angles P-C4'-P energy: -10.923 tors. eta vs tors. theta energy: 2.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -295.743516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.743516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.743516 (E_RNA) where: Base-Base interactions energy: -206.201 where: short stacking energy: -90.946 Base-Backbone interact. energy: -0.356 local terms energy: -89.186556 where: bonds (distance) C4'-P energy: -17.191 bonds (distance) P-C4' energy: -19.301 flat angles C4'-P-C4' energy: -18.035 flat angles P-C4'-P energy: -13.050 tors. eta vs tors. theta energy: -21.610 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: 7 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -289.635660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.635660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.635660 (E_RNA) where: Base-Base interactions energy: -207.998 where: short stacking energy: -91.301 Base-Backbone interact. energy: 0.143 local terms energy: -81.779857 where: bonds (distance) C4'-P energy: -16.707 bonds (distance) P-C4' energy: -15.412 flat angles C4'-P-C4' energy: -19.620 flat angles P-C4'-P energy: -11.105 tors. eta vs tors. theta energy: -18.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -280.275306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.275306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.275306 (E_RNA) where: Base-Base interactions energy: -197.316 where: short stacking energy: -85.622 Base-Backbone interact. energy: -2.051 local terms energy: -80.907908 where: bonds (distance) C4'-P energy: -16.293 bonds (distance) P-C4' energy: -14.469 flat angles C4'-P-C4' energy: -19.087 flat angles P-C4'-P energy: -8.179 tors. eta vs tors. theta energy: -22.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -226.068590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.068590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.068590 (E_RNA) where: Base-Base interactions energy: -149.853 where: short stacking energy: -72.414 Base-Backbone interact. energy: -0.004 local terms energy: -76.211314 where: bonds (distance) C4'-P energy: -15.130 bonds (distance) P-C4' energy: -16.597 flat angles C4'-P-C4' energy: -16.182 flat angles P-C4'-P energy: -11.103 tors. eta vs tors. theta energy: -17.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -231.342386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.342386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.342386 (E_RNA) where: Base-Base interactions energy: -157.943 where: short stacking energy: -77.064 Base-Backbone interact. energy: -0.026 local terms energy: -73.373653 where: bonds (distance) C4'-P energy: -16.434 bonds (distance) P-C4' energy: -15.466 flat angles C4'-P-C4' energy: -18.533 flat angles P-C4'-P energy: -8.675 tors. eta vs tors. theta energy: -14.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -224.091190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.091190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.091190 (E_RNA) where: Base-Base interactions energy: -153.981 where: short stacking energy: -76.766 Base-Backbone interact. energy: -0.118 local terms energy: -69.992168 where: bonds (distance) C4'-P energy: -15.928 bonds (distance) P-C4' energy: -16.531 flat angles C4'-P-C4' energy: -16.239 flat angles P-C4'-P energy: -2.144 tors. eta vs tors. theta energy: -19.150 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: 7, replica: 5 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -224.514105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.514105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.514105 (E_RNA) where: Base-Base interactions energy: -148.232 where: short stacking energy: -78.992 Base-Backbone interact. energy: -0.017 local terms energy: -76.265039 where: bonds (distance) C4'-P energy: -7.180 bonds (distance) P-C4' energy: -19.076 flat angles C4'-P-C4' energy: -18.430 flat angles P-C4'-P energy: -12.760 tors. eta vs tors. theta energy: -18.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -205.322303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.322303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.322303 (E_RNA) where: Base-Base interactions energy: -136.503 where: short stacking energy: -63.975 Base-Backbone interact. energy: -0.278 local terms energy: -68.541630 where: bonds (distance) C4'-P energy: -8.799 bonds (distance) P-C4' energy: -17.209 flat angles C4'-P-C4' energy: -13.981 flat angles P-C4'-P energy: -11.838 tors. eta vs tors. theta energy: -16.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -213.341433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.341433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.341433 (E_RNA) where: Base-Base interactions energy: -144.796 where: short stacking energy: -73.428 Base-Backbone interact. energy: -0.014 local terms energy: -68.531833 where: bonds (distance) C4'-P energy: -17.648 bonds (distance) P-C4' energy: -16.559 flat angles C4'-P-C4' energy: -12.292 flat angles P-C4'-P energy: -10.270 tors. eta vs tors. theta energy: -11.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -99.838983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.838983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.838983 (E_RNA) where: Base-Base interactions energy: -40.583 where: short stacking energy: -40.583 Base-Backbone interact. energy: -0.105 local terms energy: -59.151080 where: bonds (distance) C4'-P energy: -14.513 bonds (distance) P-C4' energy: -14.393 flat angles C4'-P-C4' energy: -12.386 flat angles P-C4'-P energy: -9.224 tors. eta vs tors. theta energy: -8.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -290.382699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.382699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.382699 (E_RNA) where: Base-Base interactions energy: -206.050 where: short stacking energy: -94.350 Base-Backbone interact. energy: -0.708 local terms energy: -83.624721 where: bonds (distance) C4'-P energy: -15.975 bonds (distance) P-C4' energy: -17.963 flat angles C4'-P-C4' energy: -17.347 flat angles P-C4'-P energy: -10.260 tors. eta vs tors. theta energy: -22.079 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: 7 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -280.253034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.253034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.253034 (E_RNA) where: Base-Base interactions energy: -197.599 where: short stacking energy: -89.440 Base-Backbone interact. energy: -1.015 local terms energy: -81.638824 where: bonds (distance) C4'-P energy: -15.197 bonds (distance) P-C4' energy: -13.583 flat angles C4'-P-C4' energy: -19.186 flat angles P-C4'-P energy: -9.444 tors. eta vs tors. theta energy: -24.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -280.571214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.571214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.571214 (E_RNA) where: Base-Base interactions energy: -200.813 where: short stacking energy: -85.196 Base-Backbone interact. energy: -2.618 local terms energy: -77.140663 where: bonds (distance) C4'-P energy: -13.596 bonds (distance) P-C4' energy: -17.299 flat angles C4'-P-C4' energy: -13.737 flat angles P-C4'-P energy: -9.287 tors. eta vs tors. theta energy: -23.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -230.725531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.725531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.725531 (E_RNA) where: Base-Base interactions energy: -159.066 where: short stacking energy: -82.572 Base-Backbone interact. energy: -0.001 local terms energy: -71.658494 where: bonds (distance) C4'-P energy: -17.329 bonds (distance) P-C4' energy: -13.923 flat angles C4'-P-C4' energy: -16.585 flat angles P-C4'-P energy: -5.252 tors. eta vs tors. theta energy: -18.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -251.771105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.771105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.771105 (E_RNA) where: Base-Base interactions energy: -172.142 where: short stacking energy: -86.260 Base-Backbone interact. energy: -0.176 local terms energy: -79.452711 where: bonds (distance) C4'-P energy: -14.943 bonds (distance) P-C4' energy: -17.360 flat angles C4'-P-C4' energy: -16.967 flat angles P-C4'-P energy: -10.091 tors. eta vs tors. theta energy: -20.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -228.618248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.618248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.618248 (E_RNA) where: Base-Base interactions energy: -158.159 where: short stacking energy: -76.957 Base-Backbone interact. energy: -0.109 local terms energy: -70.350052 where: bonds (distance) C4'-P energy: -17.476 bonds (distance) P-C4' energy: -12.371 flat angles C4'-P-C4' energy: -16.935 flat angles P-C4'-P energy: -6.344 tors. eta vs tors. theta energy: -17.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -219.552992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.552992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.552992 (E_RNA) where: Base-Base interactions energy: -144.598 where: short stacking energy: -70.908 Base-Backbone interact. energy: -0.904 local terms energy: -74.051492 where: bonds (distance) C4'-P energy: -16.596 bonds (distance) P-C4' energy: -15.843 flat angles C4'-P-C4' energy: -13.881 flat angles P-C4'-P energy: -9.782 tors. eta vs tors. theta energy: -17.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -209.216022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.216022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.216022 (E_RNA) where: Base-Base interactions energy: -139.930 where: short stacking energy: -70.970 Base-Backbone interact. energy: -0.072 local terms energy: -69.213969 where: bonds (distance) C4'-P energy: -18.223 bonds (distance) P-C4' energy: -16.921 flat angles C4'-P-C4' energy: -12.029 flat angles P-C4'-P energy: -10.374 tors. eta vs tors. theta energy: -11.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -195.024022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.024022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.024022 (E_RNA) where: Base-Base interactions energy: -139.680 where: short stacking energy: -55.345 Base-Backbone interact. energy: -0.197 local terms energy: -55.146437 where: bonds (distance) C4'-P energy: -16.567 bonds (distance) P-C4' energy: -13.051 flat angles C4'-P-C4' energy: -13.395 flat angles P-C4'-P energy: -3.265 tors. eta vs tors. theta energy: -8.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -97.987849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.987849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.987849 (E_RNA) where: Base-Base interactions energy: -40.061 where: short stacking energy: -32.410 Base-Backbone interact. energy: -0.091 local terms energy: -57.836676 where: bonds (distance) C4'-P energy: -16.450 bonds (distance) P-C4' energy: -15.432 flat angles C4'-P-C4' energy: -14.463 flat angles P-C4'-P energy: -11.684 tors. eta vs tors. theta energy: 0.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -291.925149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.925149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.925149 (E_RNA) where: Base-Base interactions energy: -207.650 where: short stacking energy: -95.194 Base-Backbone interact. energy: -0.410 local terms energy: -83.865571 where: bonds (distance) C4'-P energy: -15.602 bonds (distance) P-C4' energy: -17.781 flat angles C4'-P-C4' energy: -14.629 flat angles P-C4'-P energy: -12.417 tors. eta vs tors. theta energy: -23.436 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: 3 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -285.897042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.897042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.897042 (E_RNA) where: Base-Base interactions energy: -201.971 where: short stacking energy: -89.979 Base-Backbone interact. energy: -1.365 local terms energy: -82.560484 where: bonds (distance) C4'-P energy: -16.474 bonds (distance) P-C4' energy: -17.243 flat angles C4'-P-C4' energy: -16.565 flat angles P-C4'-P energy: -10.019 tors. eta vs tors. theta energy: -22.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -278.653459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.653459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.653459 (E_RNA) where: Base-Base interactions energy: -199.818 where: short stacking energy: -88.927 Base-Backbone interact. energy: -0.465 local terms energy: -78.370661 where: bonds (distance) C4'-P energy: -13.714 bonds (distance) P-C4' energy: -15.451 flat angles C4'-P-C4' energy: -17.424 flat angles P-C4'-P energy: -10.866 tors. eta vs tors. theta energy: -20.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -227.873667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.873667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.873667 (E_RNA) where: Base-Base interactions energy: -152.882 where: short stacking energy: -72.535 Base-Backbone interact. energy: -0.849 local terms energy: -74.142087 where: bonds (distance) C4'-P energy: -15.652 bonds (distance) P-C4' energy: -15.231 flat angles C4'-P-C4' energy: -15.947 flat angles P-C4'-P energy: -10.957 tors. eta vs tors. theta energy: -16.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -230.747704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.747704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.747704 (E_RNA) where: Base-Base interactions energy: -155.076 where: short stacking energy: -73.392 Base-Backbone interact. energy: 4.733 local terms energy: -80.404465 where: bonds (distance) C4'-P energy: -15.411 bonds (distance) P-C4' energy: -18.666 flat angles C4'-P-C4' energy: -18.183 flat angles P-C4'-P energy: -12.555 tors. eta vs tors. theta energy: -15.589 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: 2 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -220.653339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.653339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.653339 (E_RNA) where: Base-Base interactions energy: -149.223 where: short stacking energy: -72.516 Base-Backbone interact. energy: -0.726 local terms energy: -70.704570 where: bonds (distance) C4'-P energy: -16.124 bonds (distance) P-C4' energy: -17.706 flat angles C4'-P-C4' energy: -12.612 flat angles P-C4'-P energy: -11.197 tors. eta vs tors. theta energy: -13.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -210.246273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.246273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.246273 (E_RNA) where: Base-Base interactions energy: -140.443 where: short stacking energy: -66.285 Base-Backbone interact. energy: -0.225 local terms energy: -69.578234 where: bonds (distance) C4'-P energy: -16.306 bonds (distance) P-C4' energy: -17.234 flat angles C4'-P-C4' energy: -15.673 flat angles P-C4'-P energy: -6.481 tors. eta vs tors. theta energy: -13.885 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: 8, replica: 9 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -214.170311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.170311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.170311 (E_RNA) where: Base-Base interactions energy: -141.989 where: short stacking energy: -64.330 Base-Backbone interact. energy: -0.456 local terms energy: -71.725737 where: bonds (distance) C4'-P energy: -11.590 bonds (distance) P-C4' energy: -18.921 flat angles C4'-P-C4' energy: -11.959 flat angles P-C4'-P energy: -10.171 tors. eta vs tors. theta energy: -19.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -207.669412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.669412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.669412 (E_RNA) where: Base-Base interactions energy: -136.547 where: short stacking energy: -61.778 Base-Backbone interact. energy: -0.523 local terms energy: -70.599020 where: bonds (distance) C4'-P energy: -16.339 bonds (distance) P-C4' energy: -15.223 flat angles C4'-P-C4' energy: -18.245 flat angles P-C4'-P energy: -8.447 tors. eta vs tors. theta energy: -12.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -112.359964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.359964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.359964 (E_RNA) where: Base-Base interactions energy: -55.004 where: short stacking energy: -42.236 Base-Backbone interact. energy: -0.155 local terms energy: -57.200656 where: bonds (distance) C4'-P energy: -8.268 bonds (distance) P-C4' energy: -13.680 flat angles C4'-P-C4' energy: -14.102 flat angles P-C4'-P energy: -11.316 tors. eta vs tors. theta energy: -9.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -289.838953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.838953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.838953 (E_RNA) where: Base-Base interactions energy: -208.692 where: short stacking energy: -91.592 Base-Backbone interact. energy: -0.324 local terms energy: -80.823536 where: bonds (distance) C4'-P energy: -15.330 bonds (distance) P-C4' energy: -15.778 flat angles C4'-P-C4' energy: -18.667 flat angles P-C4'-P energy: -9.797 tors. eta vs tors. theta energy: -21.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -282.376698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.376698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.376698 (E_RNA) where: Base-Base interactions energy: -205.109 where: short stacking energy: -94.256 Base-Backbone interact. energy: -1.009 local terms energy: -76.258531 where: bonds (distance) C4'-P energy: -14.453 bonds (distance) P-C4' energy: -15.896 flat angles C4'-P-C4' energy: -17.145 flat angles P-C4'-P energy: -6.916 tors. eta vs tors. theta energy: -21.848 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: 7 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -282.723986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.723986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.723986 (E_RNA) where: Base-Base interactions energy: -200.095 where: short stacking energy: -97.814 Base-Backbone interact. energy: -0.633 local terms energy: -81.995207 where: bonds (distance) C4'-P energy: -17.486 bonds (distance) P-C4' energy: -17.794 flat angles C4'-P-C4' energy: -15.529 flat angles P-C4'-P energy: -8.944 tors. eta vs tors. theta energy: -22.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -238.356974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.356974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.356974 (E_RNA) where: Base-Base interactions energy: -162.656 where: short stacking energy: -70.816 Base-Backbone interact. energy: 0.048 local terms energy: -75.749053 where: bonds (distance) C4'-P energy: -14.024 bonds (distance) P-C4' energy: -16.350 flat angles C4'-P-C4' energy: -19.761 flat angles P-C4'-P energy: -13.329 tors. eta vs tors. theta energy: -12.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -213.563870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.563870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.563870 (E_RNA) where: Base-Base interactions energy: -145.080 where: short stacking energy: -71.631 Base-Backbone interact. energy: -0.576 local terms energy: -67.908260 where: bonds (distance) C4'-P energy: -13.366 bonds (distance) P-C4' energy: -12.307 flat angles C4'-P-C4' energy: -16.201 flat angles P-C4'-P energy: -7.611 tors. eta vs tors. theta energy: -18.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -225.303652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.303652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.303652 (E_RNA) where: Base-Base interactions energy: -149.126 where: short stacking energy: -71.511 Base-Backbone interact. energy: -0.396 local terms energy: -75.781443 where: bonds (distance) C4'-P energy: -16.483 bonds (distance) P-C4' energy: -17.156 flat angles C4'-P-C4' energy: -16.902 flat angles P-C4'-P energy: -10.970 tors. eta vs tors. theta energy: -14.270 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: 8 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -214.069153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.069153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.069153 (E_RNA) where: Base-Base interactions energy: -145.425 where: short stacking energy: -74.373 Base-Backbone interact. energy: -0.129 local terms energy: -68.515342 where: bonds (distance) C4'-P energy: -16.802 bonds (distance) P-C4' energy: -11.703 flat angles C4'-P-C4' energy: -17.580 flat angles P-C4'-P energy: -5.295 tors. eta vs tors. theta energy: -17.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -209.049883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.049883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.049883 (E_RNA) where: Base-Base interactions energy: -141.381 where: short stacking energy: -61.525 Base-Backbone interact. energy: 0.060 local terms energy: -67.729351 where: bonds (distance) C4'-P energy: -13.820 bonds (distance) P-C4' energy: -17.988 flat angles C4'-P-C4' energy: -16.977 flat angles P-C4'-P energy: -9.275 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: 9, replica: 5 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -208.617159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.617159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.617159 (E_RNA) where: Base-Base interactions energy: -143.933 where: short stacking energy: -73.735 Base-Backbone interact. energy: 1.002 local terms energy: -65.686024 where: bonds (distance) C4'-P energy: -13.126 bonds (distance) P-C4' energy: -15.548 flat angles C4'-P-C4' energy: -12.607 flat angles P-C4'-P energy: -7.948 tors. eta vs tors. theta energy: -16.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -103.609937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.609937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.609937 (E_RNA) where: Base-Base interactions energy: -48.109 where: short stacking energy: -37.487 Base-Backbone interact. energy: -0.785 local terms energy: -54.716334 where: bonds (distance) C4'-P energy: -13.058 bonds (distance) P-C4' energy: -18.647 flat angles C4'-P-C4' energy: -12.124 flat angles P-C4'-P energy: -6.577 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: 3 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -288.797396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.797396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.797396 (E_RNA) where: Base-Base interactions energy: -202.665 where: short stacking energy: -90.197 Base-Backbone interact. energy: -2.336 local terms energy: -83.796603 where: bonds (distance) C4'-P energy: -16.927 bonds (distance) P-C4' energy: -18.835 flat angles C4'-P-C4' energy: -18.701 flat angles P-C4'-P energy: -6.664 tors. eta vs tors. theta energy: -22.671 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: 2, replica: 4 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -290.736879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.736879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.736879 (E_RNA) where: Base-Base interactions energy: -207.202 where: short stacking energy: -94.212 Base-Backbone interact. energy: -0.221 local terms energy: -83.314613 where: bonds (distance) C4'-P energy: -10.511 bonds (distance) P-C4' energy: -17.831 flat angles C4'-P-C4' energy: -18.348 flat angles P-C4'-P energy: -12.359 tors. eta vs tors. theta energy: -24.266 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: 3, replica: 7 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -283.402531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.402531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.402531 (E_RNA) where: Base-Base interactions energy: -198.055 where: short stacking energy: -88.559 Base-Backbone interact. energy: -1.065 local terms energy: -84.282217 where: bonds (distance) C4'-P energy: -14.037 bonds (distance) P-C4' energy: -19.327 flat angles C4'-P-C4' energy: -16.712 flat angles P-C4'-P energy: -11.059 tors. eta vs tors. theta energy: -23.147 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: 6 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -240.405156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.405156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.405156 (E_RNA) where: Base-Base interactions energy: -152.512 where: short stacking energy: -74.339 Base-Backbone interact. energy: -0.082 local terms energy: -87.810870 where: bonds (distance) C4'-P energy: -18.909 bonds (distance) P-C4' energy: -19.454 flat angles C4'-P-C4' energy: -15.069 flat angles P-C4'-P energy: -14.036 tors. eta vs tors. theta energy: -20.343 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: 10 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -228.169082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.169082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.169082 (E_RNA) where: Base-Base interactions energy: -149.486 where: short stacking energy: -72.253 Base-Backbone interact. energy: -0.830 local terms energy: -77.852666 where: bonds (distance) C4'-P energy: -14.960 bonds (distance) P-C4' energy: -19.828 flat angles C4'-P-C4' energy: -17.083 flat angles P-C4'-P energy: -10.864 tors. eta vs tors. theta energy: -15.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -223.817079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.817079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.817079 (E_RNA) where: Base-Base interactions energy: -158.039 where: short stacking energy: -71.521 Base-Backbone interact. energy: -0.202 local terms energy: -65.576416 where: bonds (distance) C4'-P energy: -14.956 bonds (distance) P-C4' energy: -16.786 flat angles C4'-P-C4' energy: -11.724 flat angles P-C4'-P energy: -7.825 tors. eta vs tors. theta energy: -14.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -217.604957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.604957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.604957 (E_RNA) where: Base-Base interactions energy: -155.726 where: short stacking energy: -66.232 Base-Backbone interact. energy: -0.650 local terms energy: -61.229105 where: bonds (distance) C4'-P energy: -12.886 bonds (distance) P-C4' energy: -15.913 flat angles C4'-P-C4' energy: -16.869 flat angles P-C4'-P energy: -4.615 tors. eta vs tors. theta energy: -10.945 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: 145 Temperature: 1.250000 Total energy: -205.641708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.641708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.641708 (E_RNA) where: Base-Base interactions energy: -141.610 where: short stacking energy: -57.736 Base-Backbone interact. energy: -0.395 local terms energy: -63.637525 where: bonds (distance) C4'-P energy: -14.065 bonds (distance) P-C4' energy: -15.021 flat angles C4'-P-C4' energy: -15.282 flat angles P-C4'-P energy: -5.995 tors. eta vs tors. theta energy: -13.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -221.153693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.153693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.153693 (E_RNA) where: Base-Base interactions energy: -148.351 where: short stacking energy: -69.325 Base-Backbone interact. energy: 0.821 local terms energy: -73.623117 where: bonds (distance) C4'-P energy: -16.806 bonds (distance) P-C4' energy: -17.004 flat angles C4'-P-C4' energy: -17.031 flat angles P-C4'-P energy: -8.757 tors. eta vs tors. theta energy: -14.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -104.385929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.385929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.385929 (E_RNA) where: Base-Base interactions energy: -48.520 where: short stacking energy: -27.762 Base-Backbone interact. energy: -0.107 local terms energy: -55.759309 where: bonds (distance) C4'-P energy: -16.269 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -14.426 flat angles P-C4'-P energy: -7.141 tors. eta vs tors. theta energy: -2.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -284.233120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.233120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.233120 (E_RNA) where: Base-Base interactions energy: -199.700 where: short stacking energy: -91.814 Base-Backbone interact. energy: -1.076 local terms energy: -83.456752 where: bonds (distance) C4'-P energy: -17.497 bonds (distance) P-C4' energy: -18.681 flat angles C4'-P-C4' energy: -16.682 flat angles P-C4'-P energy: -8.125 tors. eta vs tors. theta energy: -22.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -282.309425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.309425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.309425 (E_RNA) where: Base-Base interactions energy: -204.524 where: short stacking energy: -89.705 Base-Backbone interact. energy: 1.142 local terms energy: -78.927827 where: bonds (distance) C4'-P energy: -16.037 bonds (distance) P-C4' energy: -15.145 flat angles C4'-P-C4' energy: -17.984 flat angles P-C4'-P energy: -9.494 tors. eta vs tors. theta energy: -20.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -275.567224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.567224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.567224 (E_RNA) where: Base-Base interactions energy: -189.957 where: short stacking energy: -81.662 Base-Backbone interact. energy: -0.588 local terms energy: -85.022189 where: bonds (distance) C4'-P energy: -19.424 bonds (distance) P-C4' energy: -18.685 flat angles C4'-P-C4' energy: -15.443 flat angles P-C4'-P energy: -7.676 tors. eta vs tors. theta energy: -23.794 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: 4, replica: 6 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -256.797206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.797206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.797206 (E_RNA) where: Base-Base interactions energy: -183.204 where: short stacking energy: -88.747 Base-Backbone interact. energy: -0.909 local terms energy: -72.683794 where: bonds (distance) C4'-P energy: -19.273 bonds (distance) P-C4' energy: -13.238 flat angles C4'-P-C4' energy: -14.225 flat angles P-C4'-P energy: -9.573 tors. eta vs tors. theta energy: -16.375 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: 2 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -234.829186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.829186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.829186 (E_RNA) where: Base-Base interactions energy: -152.969 where: short stacking energy: -74.336 Base-Backbone interact. energy: -0.338 local terms energy: -81.522217 where: bonds (distance) C4'-P energy: -17.940 bonds (distance) P-C4' energy: -18.805 flat angles C4'-P-C4' energy: -17.843 flat angles P-C4'-P energy: -11.135 tors. eta vs tors. theta energy: -15.800 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: 6, replica: 10 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -220.548808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.548808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.548808 (E_RNA) where: Base-Base interactions energy: -146.662 where: short stacking energy: -71.550 Base-Backbone interact. energy: -0.686 local terms energy: -73.201508 where: bonds (distance) C4'-P energy: -15.093 bonds (distance) P-C4' energy: -18.605 flat angles C4'-P-C4' energy: -15.128 flat angles P-C4'-P energy: -7.521 tors. eta vs tors. theta energy: -16.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -198.322459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.322459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.322459 (E_RNA) where: Base-Base interactions energy: -132.921 where: short stacking energy: -59.314 Base-Backbone interact. energy: -0.081 local terms energy: -65.320172 where: bonds (distance) C4'-P energy: -14.596 bonds (distance) P-C4' energy: -18.280 flat angles C4'-P-C4' energy: -16.584 flat angles P-C4'-P energy: -2.100 tors. eta vs tors. theta energy: -13.760 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: 8 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -233.916372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.916372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.916372 (E_RNA) where: Base-Base interactions energy: -156.644 where: short stacking energy: -82.342 Base-Backbone interact. energy: -0.147 local terms energy: -77.125052 where: bonds (distance) C4'-P energy: -13.301 bonds (distance) P-C4' energy: -17.857 flat angles C4'-P-C4' energy: -15.938 flat angles P-C4'-P energy: -6.470 tors. eta vs tors. theta energy: -23.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -201.065042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.065042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.065042 (E_RNA) where: Base-Base interactions energy: -139.257 where: short stacking energy: -62.235 Base-Backbone interact. energy: -0.467 local terms energy: -61.340740 where: bonds (distance) C4'-P energy: -8.145 bonds (distance) P-C4' energy: -14.248 flat angles C4'-P-C4' energy: -15.603 flat angles P-C4'-P energy: -9.271 tors. eta vs tors. theta energy: -14.074 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: 10, replica: 1 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -99.306499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.306499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.306499 (E_RNA) where: Base-Base interactions energy: -48.409 where: short stacking energy: -31.648 Base-Backbone interact. energy: 0.543 local terms energy: -51.440693 where: bonds (distance) C4'-P energy: -15.096 bonds (distance) P-C4' energy: -15.594 flat angles C4'-P-C4' energy: -12.612 flat angles P-C4'-P energy: -11.139 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: 1, replica: 4 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -280.347919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.347919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.347919 (E_RNA) where: Base-Base interactions energy: -197.302 where: short stacking energy: -85.614 Base-Backbone interact. energy: 0.450 local terms energy: -83.495896 where: bonds (distance) C4'-P energy: -19.671 bonds (distance) P-C4' energy: -17.571 flat angles C4'-P-C4' energy: -14.665 flat angles P-C4'-P energy: -9.596 tors. eta vs tors. theta energy: -21.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -284.700559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.700559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.700559 (E_RNA) where: Base-Base interactions energy: -210.617 where: short stacking energy: -91.574 Base-Backbone interact. energy: -1.056 local terms energy: -73.027444 where: bonds (distance) C4'-P energy: -11.892 bonds (distance) P-C4' energy: -13.233 flat angles C4'-P-C4' energy: -17.446 flat angles P-C4'-P energy: -9.587 tors. eta vs tors. theta energy: -20.870 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: 3 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -272.917682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.917682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.917682 (E_RNA) where: Base-Base interactions energy: -193.911 where: short stacking energy: -86.545 Base-Backbone interact. energy: -0.274 local terms energy: -78.731996 where: bonds (distance) C4'-P energy: -17.746 bonds (distance) P-C4' energy: -19.178 flat angles C4'-P-C4' energy: -15.839 flat angles P-C4'-P energy: -8.144 tors. eta vs tors. theta energy: -17.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -251.603383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.603383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.603383 (E_RNA) where: Base-Base interactions energy: -179.375 where: short stacking energy: -77.710 Base-Backbone interact. energy: -0.339 local terms energy: -71.889443 where: bonds (distance) C4'-P energy: -12.766 bonds (distance) P-C4' energy: -18.379 flat angles C4'-P-C4' energy: -14.771 flat angles P-C4'-P energy: -8.886 tors. eta vs tors. theta energy: -17.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -234.559384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.559384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.559384 (E_RNA) where: Base-Base interactions energy: -155.204 where: short stacking energy: -74.210 Base-Backbone interact. energy: -0.608 local terms energy: -78.747084 where: bonds (distance) C4'-P energy: -15.009 bonds (distance) P-C4' energy: -19.182 flat angles C4'-P-C4' energy: -18.156 flat angles P-C4'-P energy: -8.640 tors. eta vs tors. theta energy: -17.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -229.316565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.316565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.316565 (E_RNA) where: Base-Base interactions energy: -149.523 where: short stacking energy: -69.541 Base-Backbone interact. energy: -0.432 local terms energy: -79.361179 where: bonds (distance) C4'-P energy: -17.138 bonds (distance) P-C4' energy: -20.809 flat angles C4'-P-C4' energy: -19.168 flat angles P-C4'-P energy: -7.293 tors. eta vs tors. theta energy: -14.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -218.465337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.465337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.465337 (E_RNA) where: Base-Base interactions energy: -149.306 where: short stacking energy: -75.509 Base-Backbone interact. energy: -0.592 local terms energy: -68.567605 where: bonds (distance) C4'-P energy: -14.680 bonds (distance) P-C4' energy: -9.980 flat angles C4'-P-C4' energy: -18.207 flat angles P-C4'-P energy: -6.544 tors. eta vs tors. theta energy: -19.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -211.563463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.563463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.563463 (E_RNA) where: Base-Base interactions energy: -146.619 where: short stacking energy: -67.232 Base-Backbone interact. energy: -0.571 local terms energy: -64.373132 where: bonds (distance) C4'-P energy: -16.028 bonds (distance) P-C4' energy: -18.122 flat angles C4'-P-C4' energy: -14.960 flat angles P-C4'-P energy: -2.895 tors. eta vs tors. theta energy: -12.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -210.106243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.106243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.106243 (E_RNA) where: Base-Base interactions energy: -142.158 where: short stacking energy: -66.025 Base-Backbone interact. energy: -0.424 local terms energy: -67.524105 where: bonds (distance) C4'-P energy: -15.642 bonds (distance) P-C4' energy: -12.488 flat angles C4'-P-C4' energy: -10.823 flat angles P-C4'-P energy: -8.271 tors. eta vs tors. theta energy: -20.301 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: 1 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -90.984059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.984059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.984059 (E_RNA) where: Base-Base interactions energy: -48.471 where: short stacking energy: -31.605 Base-Backbone interact. energy: -0.267 local terms energy: -42.246359 where: bonds (distance) C4'-P energy: -14.051 bonds (distance) P-C4' energy: -12.358 flat angles C4'-P-C4' energy: -10.039 flat angles P-C4'-P energy: -5.705 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: 1, replica: 7 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -296.943914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.943914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.943914 (E_RNA) where: Base-Base interactions energy: -212.687 where: short stacking energy: -94.592 Base-Backbone interact. energy: -1.054 local terms energy: -83.203572 where: bonds (distance) C4'-P energy: -17.017 bonds (distance) P-C4' energy: -17.896 flat angles C4'-P-C4' energy: -17.828 flat angles P-C4'-P energy: -10.105 tors. eta vs tors. theta energy: -20.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -281.028207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.028207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.028207 (E_RNA) where: Base-Base interactions energy: -195.036 where: short stacking energy: -84.899 Base-Backbone interact. energy: -0.792 local terms energy: -85.200904 where: bonds (distance) C4'-P energy: -17.382 bonds (distance) P-C4' energy: -15.450 flat angles C4'-P-C4' energy: -18.189 flat angles P-C4'-P energy: -11.171 tors. eta vs tors. theta energy: -23.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -280.555075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.555075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.555075 (E_RNA) where: Base-Base interactions energy: -199.221 where: short stacking energy: -93.325 Base-Backbone interact. energy: -1.253 local terms energy: -80.081399 where: bonds (distance) C4'-P energy: -16.624 bonds (distance) P-C4' energy: -15.378 flat angles C4'-P-C4' energy: -16.397 flat angles P-C4'-P energy: -8.179 tors. eta vs tors. theta energy: -23.504 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: 4, replica: 6 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -247.926709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.926709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.926709 (E_RNA) where: Base-Base interactions energy: -172.666 where: short stacking energy: -79.409 Base-Backbone interact. energy: -0.541 local terms energy: -74.719407 where: bonds (distance) C4'-P energy: -11.682 bonds (distance) P-C4' energy: -15.789 flat angles C4'-P-C4' energy: -21.085 flat angles P-C4'-P energy: -5.798 tors. eta vs tors. theta energy: -20.365 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: 5, replica: 2 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -240.142351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.142351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.142351 (E_RNA) where: Base-Base interactions energy: -166.808 where: short stacking energy: -84.411 Base-Backbone interact. energy: -0.141 local terms energy: -73.193943 where: bonds (distance) C4'-P energy: -13.598 bonds (distance) P-C4' energy: -16.522 flat angles C4'-P-C4' energy: -12.214 flat angles P-C4'-P energy: -10.539 tors. eta vs tors. theta energy: -20.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -232.621882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.621882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.621882 (E_RNA) where: Base-Base interactions energy: -147.713 where: short stacking energy: -78.127 Base-Backbone interact. energy: -0.060 local terms energy: -84.848427 where: bonds (distance) C4'-P energy: -19.449 bonds (distance) P-C4' energy: -12.929 flat angles C4'-P-C4' energy: -19.397 flat angles P-C4'-P energy: -12.596 tors. eta vs tors. theta energy: -20.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -212.774722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.774722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.774722 (E_RNA) where: Base-Base interactions energy: -140.827 where: short stacking energy: -62.897 Base-Backbone interact. energy: -0.173 local terms energy: -71.773881 where: bonds (distance) C4'-P energy: -17.336 bonds (distance) P-C4' energy: -14.099 flat angles C4'-P-C4' energy: -16.405 flat angles P-C4'-P energy: -11.423 tors. eta vs tors. theta energy: -12.511 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: 10 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -213.725849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.725849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.725849 (E_RNA) where: Base-Base interactions energy: -147.630 where: short stacking energy: -71.646 Base-Backbone interact. energy: -0.272 local terms energy: -65.823237 where: bonds (distance) C4'-P energy: -12.195 bonds (distance) P-C4' energy: -18.200 flat angles C4'-P-C4' energy: -14.168 flat angles P-C4'-P energy: -5.701 tors. eta vs tors. theta energy: -15.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -208.060612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.060612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.060612 (E_RNA) where: Base-Base interactions energy: -140.251 where: short stacking energy: -68.996 Base-Backbone interact. energy: -1.036 local terms energy: -66.774132 where: bonds (distance) C4'-P energy: -15.180 bonds (distance) P-C4' energy: -16.826 flat angles C4'-P-C4' energy: -9.894 flat angles P-C4'-P energy: -8.677 tors. eta vs tors. theta energy: -16.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -101.057098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.057098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.057098 (E_RNA) where: Base-Base interactions energy: -57.472 where: short stacking energy: -37.406 Base-Backbone interact. energy: -0.216 local terms energy: -43.369177 where: bonds (distance) C4'-P energy: -14.560 bonds (distance) P-C4' energy: -13.445 flat angles C4'-P-C4' energy: -4.284 flat angles P-C4'-P energy: -10.603 tors. eta vs tors. theta energy: -0.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -292.799011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.799011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.799011 (E_RNA) where: Base-Base interactions energy: -209.962 where: short stacking energy: -94.826 Base-Backbone interact. energy: -0.435 local terms energy: -82.402172 where: bonds (distance) C4'-P energy: -16.135 bonds (distance) P-C4' energy: -19.511 flat angles C4'-P-C4' energy: -16.096 flat angles P-C4'-P energy: -11.527 tors. eta vs tors. theta energy: -19.133 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: 2, replica: 3 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -281.068989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.068989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.068989 (E_RNA) where: Base-Base interactions energy: -196.791 where: short stacking energy: -84.199 Base-Backbone interact. energy: -1.291 local terms energy: -82.986273 where: bonds (distance) C4'-P energy: -17.089 bonds (distance) P-C4' energy: -18.654 flat angles C4'-P-C4' energy: -16.571 flat angles P-C4'-P energy: -9.326 tors. eta vs tors. theta energy: -21.347 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: 4 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -267.172939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.172939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.172939 (E_RNA) where: Base-Base interactions energy: -181.778 where: short stacking energy: -78.021 Base-Backbone interact. energy: -2.524 local terms energy: -82.870613 where: bonds (distance) C4'-P energy: -17.298 bonds (distance) P-C4' energy: -16.918 flat angles C4'-P-C4' energy: -17.062 flat angles P-C4'-P energy: -12.042 tors. eta vs tors. theta energy: -19.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -257.599753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.599753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.599753 (E_RNA) where: Base-Base interactions energy: -178.645 where: short stacking energy: -91.172 Base-Backbone interact. energy: -0.155 local terms energy: -78.799309 where: bonds (distance) C4'-P energy: -13.153 bonds (distance) P-C4' energy: -11.251 flat angles C4'-P-C4' energy: -19.303 flat angles P-C4'-P energy: -13.191 tors. eta vs tors. theta energy: -21.900 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: 5, replica: 6 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -243.104925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.104925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.104925 (E_RNA) where: Base-Base interactions energy: -162.380 where: short stacking energy: -77.531 Base-Backbone interact. energy: 2.598 local terms energy: -83.322719 where: bonds (distance) C4'-P energy: -15.561 bonds (distance) P-C4' energy: -19.496 flat angles C4'-P-C4' energy: -18.841 flat angles P-C4'-P energy: -11.719 tors. eta vs tors. theta energy: -17.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -222.138354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.138354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.138354 (E_RNA) where: Base-Base interactions energy: -150.262 where: short stacking energy: -69.306 Base-Backbone interact. energy: -0.203 local terms energy: -71.674181 where: bonds (distance) C4'-P energy: -15.312 bonds (distance) P-C4' energy: -13.391 flat angles C4'-P-C4' energy: -14.413 flat angles P-C4'-P energy: -11.221 tors. eta vs tors. theta energy: -17.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -224.852422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.852422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.852422 (E_RNA) where: Base-Base interactions energy: -150.506 where: short stacking energy: -62.927 Base-Backbone interact. energy: -0.642 local terms energy: -73.704762 where: bonds (distance) C4'-P energy: -10.088 bonds (distance) P-C4' energy: -19.185 flat angles C4'-P-C4' energy: -17.217 flat angles P-C4'-P energy: -7.866 tors. eta vs tors. theta energy: -19.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -222.304079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.304079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.304079 (E_RNA) where: Base-Base interactions energy: -157.846 where: short stacking energy: -74.592 Base-Backbone interact. energy: -0.126 local terms energy: -64.332071 where: bonds (distance) C4'-P energy: -13.962 bonds (distance) P-C4' energy: -9.859 flat angles C4'-P-C4' energy: -12.290 flat angles P-C4'-P energy: -12.270 tors. eta vs tors. theta energy: -15.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -213.868386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.868386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.868386 (E_RNA) where: Base-Base interactions energy: -140.239 where: short stacking energy: -62.432 Base-Backbone interact. energy: -0.133 local terms energy: -73.496400 where: bonds (distance) C4'-P energy: -16.703 bonds (distance) P-C4' energy: -15.911 flat angles C4'-P-C4' energy: -13.177 flat angles P-C4'-P energy: -11.846 tors. eta vs tors. theta energy: -15.860 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: 1 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -106.678570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.678570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.678570 (E_RNA) where: Base-Base interactions energy: -49.683 where: short stacking energy: -37.233 Base-Backbone interact. energy: -0.524 local terms energy: -56.471030 where: bonds (distance) C4'-P energy: -12.215 bonds (distance) P-C4' energy: -16.631 flat angles C4'-P-C4' energy: -19.151 flat angles P-C4'-P energy: -4.920 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: 1, replica: 7 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -291.926426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.926426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.926426 (E_RNA) where: Base-Base interactions energy: -203.887 where: short stacking energy: -84.100 Base-Backbone interact. energy: -1.949 local terms energy: -86.090948 where: bonds (distance) C4'-P energy: -17.858 bonds (distance) P-C4' energy: -16.900 flat angles C4'-P-C4' energy: -15.932 flat angles P-C4'-P energy: -12.959 tors. eta vs tors. theta energy: -22.442 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: 3 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -285.470168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.470168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.470168 (E_RNA) where: Base-Base interactions energy: -212.831 where: short stacking energy: -87.179 Base-Backbone interact. energy: 0.263 local terms energy: -72.901594 where: bonds (distance) C4'-P energy: -15.059 bonds (distance) P-C4' energy: -14.661 flat angles C4'-P-C4' energy: -18.700 flat angles P-C4'-P energy: -7.073 tors. eta vs tors. theta energy: -17.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -271.676337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.676337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.676337 (E_RNA) where: Base-Base interactions energy: -188.248 where: short stacking energy: -91.785 Base-Backbone interact. energy: -0.629 local terms energy: -82.799878 where: bonds (distance) C4'-P energy: -14.619 bonds (distance) P-C4' energy: -19.041 flat angles C4'-P-C4' energy: -15.353 flat angles P-C4'-P energy: -10.068 tors. eta vs tors. theta energy: -23.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -250.404913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.404913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.404913 (E_RNA) where: Base-Base interactions energy: -163.660 where: short stacking energy: -85.871 Base-Backbone interact. energy: 0.491 local terms energy: -87.235753 where: bonds (distance) C4'-P energy: -18.334 bonds (distance) P-C4' energy: -17.093 flat angles C4'-P-C4' energy: -17.662 flat angles P-C4'-P energy: -12.506 tors. eta vs tors. theta energy: -21.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -233.279079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.279079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.279079 (E_RNA) where: Base-Base interactions energy: -150.317 where: short stacking energy: -67.721 Base-Backbone interact. energy: -0.071 local terms energy: -82.891031 where: bonds (distance) C4'-P energy: -19.833 bonds (distance) P-C4' energy: -17.878 flat angles C4'-P-C4' energy: -15.092 flat angles P-C4'-P energy: -13.602 tors. eta vs tors. theta energy: -16.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -231.206111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.206111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.206111 (E_RNA) where: Base-Base interactions energy: -157.585 where: short stacking energy: -80.218 Base-Backbone interact. energy: 0.247 local terms energy: -73.868773 where: bonds (distance) C4'-P energy: -18.080 bonds (distance) P-C4' energy: -13.629 flat angles C4'-P-C4' energy: -14.653 flat angles P-C4'-P energy: -11.687 tors. eta vs tors. theta energy: -15.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -226.036152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.036152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.036152 (E_RNA) where: Base-Base interactions energy: -149.718 where: short stacking energy: -74.677 Base-Backbone interact. energy: -0.137 local terms energy: -76.181959 where: bonds (distance) C4'-P energy: -18.553 bonds (distance) P-C4' energy: -14.748 flat angles C4'-P-C4' energy: -19.416 flat angles P-C4'-P energy: -5.031 tors. eta vs tors. theta energy: -18.434 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: 8, replica: 10 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -203.550266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.550266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.550266 (E_RNA) where: Base-Base interactions energy: -141.204 where: short stacking energy: -61.332 Base-Backbone interact. energy: -0.062 local terms energy: -62.283900 where: bonds (distance) C4'-P energy: -10.891 bonds (distance) P-C4' energy: -13.212 flat angles C4'-P-C4' energy: -16.946 flat angles P-C4'-P energy: -11.531 tors. eta vs tors. theta energy: -9.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -206.780472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.780472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.780472 (E_RNA) where: Base-Base interactions energy: -141.960 where: short stacking energy: -64.328 Base-Backbone interact. energy: -0.317 local terms energy: -64.503234 where: bonds (distance) C4'-P energy: -15.855 bonds (distance) P-C4' energy: -14.303 flat angles C4'-P-C4' energy: -16.585 flat angles P-C4'-P energy: -5.489 tors. eta vs tors. theta energy: -12.271 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: 1 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -161.706507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.706507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.706507 (E_RNA) where: Base-Base interactions energy: -91.872 where: short stacking energy: -43.923 Base-Backbone interact. energy: -0.565 local terms energy: -69.270231 where: bonds (distance) C4'-P energy: -16.422 bonds (distance) P-C4' energy: -16.657 flat angles C4'-P-C4' energy: -16.292 flat angles P-C4'-P energy: -12.743 tors. eta vs tors. theta energy: -7.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -291.324120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.324120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.324120 (E_RNA) where: Base-Base interactions energy: -200.962 where: short stacking energy: -87.263 Base-Backbone interact. energy: -1.082 local terms energy: -89.280104 where: bonds (distance) C4'-P energy: -17.626 bonds (distance) P-C4' energy: -19.393 flat angles C4'-P-C4' energy: -18.375 flat angles P-C4'-P energy: -12.212 tors. eta vs tors. theta energy: -21.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -286.659185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.659185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.659185 (E_RNA) where: Base-Base interactions energy: -208.995 where: short stacking energy: -83.705 Base-Backbone interact. energy: -0.612 local terms energy: -77.051957 where: bonds (distance) C4'-P energy: -14.567 bonds (distance) P-C4' energy: -17.258 flat angles C4'-P-C4' energy: -15.572 flat angles P-C4'-P energy: -9.494 tors. eta vs tors. theta energy: -20.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -279.650557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.650557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.650557 (E_RNA) where: Base-Base interactions energy: -198.086 where: short stacking energy: -84.468 Base-Backbone interact. energy: -0.515 local terms energy: -81.050084 where: bonds (distance) C4'-P energy: -15.407 bonds (distance) P-C4' energy: -12.496 flat angles C4'-P-C4' energy: -18.574 flat angles P-C4'-P energy: -13.606 tors. eta vs tors. theta energy: -20.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -260.349044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.349044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.349044 (E_RNA) where: Base-Base interactions energy: -164.727 where: short stacking energy: -90.466 Base-Backbone interact. energy: 0.242 local terms energy: -95.864135 where: bonds (distance) C4'-P energy: -18.520 bonds (distance) P-C4' energy: -20.825 flat angles C4'-P-C4' energy: -16.101 flat angles P-C4'-P energy: -13.917 tors. eta vs tors. theta energy: -26.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -226.814585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.814585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.814585 (E_RNA) where: Base-Base interactions energy: -155.471 where: short stacking energy: -79.544 Base-Backbone interact. energy: -0.847 local terms energy: -70.497522 where: bonds (distance) C4'-P energy: -13.518 bonds (distance) P-C4' energy: -18.889 flat angles C4'-P-C4' energy: -12.978 flat angles P-C4'-P energy: -5.677 tors. eta vs tors. theta energy: -19.436 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: 5 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -232.605779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.605779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.605779 (E_RNA) where: Base-Base interactions energy: -159.462 where: short stacking energy: -84.482 Base-Backbone interact. energy: -0.044 local terms energy: -73.100423 where: bonds (distance) C4'-P energy: -14.368 bonds (distance) P-C4' energy: -11.317 flat angles C4'-P-C4' energy: -16.517 flat angles P-C4'-P energy: -9.526 tors. eta vs tors. theta energy: -21.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -216.483169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.483169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.483169 (E_RNA) where: Base-Base interactions energy: -144.459 where: short stacking energy: -62.110 Base-Backbone interact. energy: 0.466 local terms energy: -72.490506 where: bonds (distance) C4'-P energy: -11.371 bonds (distance) P-C4' energy: -17.988 flat angles C4'-P-C4' energy: -16.295 flat angles P-C4'-P energy: -12.487 tors. eta vs tors. theta energy: -14.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -208.217267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.217267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.217267 (E_RNA) where: Base-Base interactions energy: -133.724 where: short stacking energy: -60.492 Base-Backbone interact. energy: -0.034 local terms energy: -74.459763 where: bonds (distance) C4'-P energy: -16.554 bonds (distance) P-C4' energy: -12.504 flat angles C4'-P-C4' energy: -20.325 flat angles P-C4'-P energy: -8.812 tors. eta vs tors. theta energy: -16.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -203.461402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.461402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.461402 (E_RNA) where: Base-Base interactions energy: -139.355 where: short stacking energy: -64.563 Base-Backbone interact. energy: -0.075 local terms energy: -64.031368 where: bonds (distance) C4'-P energy: -13.958 bonds (distance) P-C4' energy: -12.592 flat angles C4'-P-C4' energy: -15.060 flat angles P-C4'-P energy: -7.455 tors. eta vs tors. theta energy: -14.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -187.265627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.265627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.265627 (E_RNA) where: Base-Base interactions energy: -129.548 where: short stacking energy: -54.740 Base-Backbone interact. energy: 0.066 local terms energy: -57.784071 where: bonds (distance) C4'-P energy: -18.222 bonds (distance) P-C4' energy: -8.495 flat angles C4'-P-C4' energy: -13.694 flat angles P-C4'-P energy: -7.882 tors. eta vs tors. theta energy: -9.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -288.382239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.382239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.382239 (E_RNA) where: Base-Base interactions energy: -198.857 where: short stacking energy: -91.756 Base-Backbone interact. energy: -1.182 local terms energy: -88.343674 where: bonds (distance) C4'-P energy: -15.659 bonds (distance) P-C4' energy: -16.668 flat angles C4'-P-C4' energy: -19.395 flat angles P-C4'-P energy: -13.968 tors. eta vs tors. theta energy: -22.654 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: 152 Temperature: 0.950000 Total energy: -276.660071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.660071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.660071 (E_RNA) where: Base-Base interactions energy: -194.650 where: short stacking energy: -85.285 Base-Backbone interact. energy: -0.840 local terms energy: -81.170367 where: bonds (distance) C4'-P energy: -14.355 bonds (distance) P-C4' energy: -17.466 flat angles C4'-P-C4' energy: -15.864 flat angles P-C4'-P energy: -11.855 tors. eta vs tors. theta energy: -21.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -273.638977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.638977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.638977 (E_RNA) where: Base-Base interactions energy: -190.616 where: short stacking energy: -81.015 Base-Backbone interact. energy: -1.542 local terms energy: -81.480748 where: bonds (distance) C4'-P energy: -16.797 bonds (distance) P-C4' energy: -18.284 flat angles C4'-P-C4' energy: -17.299 flat angles P-C4'-P energy: -8.069 tors. eta vs tors. theta energy: -21.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -249.755436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.755436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.755436 (E_RNA) where: Base-Base interactions energy: -172.956 where: short stacking energy: -85.834 Base-Backbone interact. energy: -0.007 local terms energy: -76.792882 where: bonds (distance) C4'-P energy: -10.229 bonds (distance) P-C4' energy: -14.783 flat angles C4'-P-C4' energy: -17.916 flat angles P-C4'-P energy: -10.449 tors. eta vs tors. theta energy: -23.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -232.184593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.184593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.184593 (E_RNA) where: Base-Base interactions energy: -161.093 where: short stacking energy: -76.840 Base-Backbone interact. energy: 0.239 local terms energy: -71.331456 where: bonds (distance) C4'-P energy: -15.631 bonds (distance) P-C4' energy: -20.612 flat angles C4'-P-C4' energy: -16.869 flat angles P-C4'-P energy: -4.480 tors. eta vs tors. theta energy: -13.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -225.111451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.111451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.111451 (E_RNA) where: Base-Base interactions energy: -145.844 where: short stacking energy: -75.469 Base-Backbone interact. energy: -0.675 local terms energy: -78.592270 where: bonds (distance) C4'-P energy: -16.351 bonds (distance) P-C4' energy: -17.610 flat angles C4'-P-C4' energy: -15.524 flat angles P-C4'-P energy: -12.882 tors. eta vs tors. theta energy: -16.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -231.260925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.260925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.260925 (E_RNA) where: Base-Base interactions energy: -162.351 where: short stacking energy: -80.773 Base-Backbone interact. energy: -0.000 local terms energy: -68.909723 where: bonds (distance) C4'-P energy: -11.184 bonds (distance) P-C4' energy: -16.747 flat angles C4'-P-C4' energy: -13.661 flat angles P-C4'-P energy: -6.699 tors. eta vs tors. theta energy: -20.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -197.448610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.448610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.448610 (E_RNA) where: Base-Base interactions energy: -140.559 where: short stacking energy: -60.338 Base-Backbone interact. energy: -0.000 local terms energy: -56.888955 where: bonds (distance) C4'-P energy: -13.023 bonds (distance) P-C4' energy: -10.299 flat angles C4'-P-C4' energy: -14.545 flat angles P-C4'-P energy: -8.528 tors. eta vs tors. theta energy: -10.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -210.971020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.971020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.971020 (E_RNA) where: Base-Base interactions energy: -143.981 where: short stacking energy: -62.137 Base-Backbone interact. energy: -0.414 local terms energy: -66.575984 where: bonds (distance) C4'-P energy: -14.066 bonds (distance) P-C4' energy: -17.911 flat angles C4'-P-C4' energy: -12.242 flat angles P-C4'-P energy: -6.959 tors. eta vs tors. theta energy: -15.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -191.688233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.688233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.688233 (E_RNA) where: Base-Base interactions energy: -129.536 where: short stacking energy: -61.836 Base-Backbone interact. energy: -0.013 local terms energy: -62.139265 where: bonds (distance) C4'-P energy: -9.885 bonds (distance) P-C4' energy: -16.886 flat angles C4'-P-C4' energy: -14.951 flat angles P-C4'-P energy: -8.216 tors. eta vs tors. theta energy: -12.201 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: 1, replica: 3 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -286.996308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.996308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.996308 (E_RNA) where: Base-Base interactions energy: -193.582 where: short stacking energy: -90.214 Base-Backbone interact. energy: -0.185 local terms energy: -93.229155 where: bonds (distance) C4'-P energy: -18.917 bonds (distance) P-C4' energy: -20.324 flat angles C4'-P-C4' energy: -21.115 flat angles P-C4'-P energy: -11.989 tors. eta vs tors. theta energy: -20.885 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: 153 Temperature: 0.950000 Total energy: -290.270389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.270389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.270389 (E_RNA) where: Base-Base interactions energy: -208.954 where: short stacking energy: -93.744 Base-Backbone interact. energy: -0.107 local terms energy: -81.208943 where: bonds (distance) C4'-P energy: -15.037 bonds (distance) P-C4' energy: -20.122 flat angles C4'-P-C4' energy: -15.421 flat angles P-C4'-P energy: -9.762 tors. eta vs tors. theta energy: -20.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -268.220734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.220734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.220734 (E_RNA) where: Base-Base interactions energy: -195.918 where: short stacking energy: -85.710 Base-Backbone interact. energy: -0.238 local terms energy: -72.064328 where: bonds (distance) C4'-P energy: -13.404 bonds (distance) P-C4' energy: -13.402 flat angles C4'-P-C4' energy: -19.561 flat angles P-C4'-P energy: -7.109 tors. eta vs tors. theta energy: -18.588 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: 5 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -236.775345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.775345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.775345 (E_RNA) where: Base-Base interactions energy: -163.101 where: short stacking energy: -77.239 Base-Backbone interact. energy: -0.403 local terms energy: -73.271837 where: bonds (distance) C4'-P energy: -14.199 bonds (distance) P-C4' energy: -14.464 flat angles C4'-P-C4' energy: -16.060 flat angles P-C4'-P energy: -9.362 tors. eta vs tors. theta energy: -19.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -234.536985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.536985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.536985 (E_RNA) where: Base-Base interactions energy: -154.561 where: short stacking energy: -85.264 Base-Backbone interact. energy: -0.002 local terms energy: -79.974157 where: bonds (distance) C4'-P energy: -13.403 bonds (distance) P-C4' energy: -14.285 flat angles C4'-P-C4' energy: -19.011 flat angles P-C4'-P energy: -9.532 tors. eta vs tors. theta energy: -23.744 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: 8 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -217.164552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.164552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.164552 (E_RNA) where: Base-Base interactions energy: -161.340 where: short stacking energy: -74.067 Base-Backbone interact. energy: 5.327 local terms energy: -61.151904 where: bonds (distance) C4'-P energy: -15.294 bonds (distance) P-C4' energy: -10.848 flat angles C4'-P-C4' energy: -13.260 flat angles P-C4'-P energy: -10.774 tors. eta vs tors. theta energy: -10.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -224.610105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.610105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.610105 (E_RNA) where: Base-Base interactions energy: -156.911 where: short stacking energy: -76.539 Base-Backbone interact. energy: 5.907 local terms energy: -73.605642 where: bonds (distance) C4'-P energy: -14.654 bonds (distance) P-C4' energy: -15.079 flat angles C4'-P-C4' energy: -12.930 flat angles P-C4'-P energy: -12.441 tors. eta vs tors. theta energy: -18.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -212.041563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.041563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.041563 (E_RNA) where: Base-Base interactions energy: -150.203 where: short stacking energy: -73.843 Base-Backbone interact. energy: -0.367 local terms energy: -61.471119 where: bonds (distance) C4'-P energy: -7.899 bonds (distance) P-C4' energy: -11.998 flat angles C4'-P-C4' energy: -13.459 flat angles P-C4'-P energy: -8.441 tors. eta vs tors. theta energy: -19.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -203.636627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.636627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.636627 (E_RNA) where: Base-Base interactions energy: -138.825 where: short stacking energy: -62.034 Base-Backbone interact. energy: -0.237 local terms energy: -64.574524 where: bonds (distance) C4'-P energy: -12.844 bonds (distance) P-C4' energy: -15.026 flat angles C4'-P-C4' energy: -13.568 flat angles P-C4'-P energy: -9.483 tors. eta vs tors. theta energy: -13.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -185.599867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.599867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.599867 (E_RNA) where: Base-Base interactions energy: -127.140 where: short stacking energy: -59.454 Base-Backbone interact. energy: -0.382 local terms energy: -58.078123 where: bonds (distance) C4'-P energy: -13.991 bonds (distance) P-C4' energy: -15.758 flat angles C4'-P-C4' energy: -18.281 flat angles P-C4'-P energy: -0.330 tors. eta vs tors. theta energy: -9.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -294.657611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.657611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.657611 (E_RNA) where: Base-Base interactions energy: -208.032 where: short stacking energy: -91.391 Base-Backbone interact. energy: -0.107 local terms energy: -86.518616 where: bonds (distance) C4'-P energy: -13.722 bonds (distance) P-C4' energy: -19.003 flat angles C4'-P-C4' energy: -19.626 flat angles P-C4'-P energy: -8.287 tors. eta vs tors. theta energy: -25.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -277.139869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.139869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.139869 (E_RNA) where: Base-Base interactions energy: -196.567 where: short stacking energy: -81.998 Base-Backbone interact. energy: 0.283 local terms energy: -80.855821 where: bonds (distance) C4'-P energy: -16.686 bonds (distance) P-C4' energy: -18.564 flat angles C4'-P-C4' energy: -15.757 flat angles P-C4'-P energy: -9.448 tors. eta vs tors. theta energy: -20.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -274.645676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.645676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.645676 (E_RNA) where: Base-Base interactions energy: -194.455 where: short stacking energy: -79.162 Base-Backbone interact. energy: -1.013 local terms energy: -79.177279 where: bonds (distance) C4'-P energy: -16.770 bonds (distance) P-C4' energy: -12.813 flat angles C4'-P-C4' energy: -17.853 flat angles P-C4'-P energy: -11.254 tors. eta vs tors. theta energy: -20.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -256.924022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.924022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.924022 (E_RNA) where: Base-Base interactions energy: -176.389 where: short stacking energy: -90.460 Base-Backbone interact. energy: -0.548 local terms energy: -79.986381 where: bonds (distance) C4'-P energy: -15.796 bonds (distance) P-C4' energy: -15.525 flat angles C4'-P-C4' energy: -16.645 flat angles P-C4'-P energy: -11.109 tors. eta vs tors. theta energy: -20.912 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: 154 Temperature: 1.100000 Total energy: -234.836126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.836126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.836126 (E_RNA) where: Base-Base interactions energy: -161.731 where: short stacking energy: -78.137 Base-Backbone interact. energy: -0.364 local terms energy: -72.741727 where: bonds (distance) C4'-P energy: -16.475 bonds (distance) P-C4' energy: -15.662 flat angles C4'-P-C4' energy: -12.034 flat angles P-C4'-P energy: -11.609 tors. eta vs tors. theta energy: -16.961 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: 154 Temperature: 1.150000 Total energy: -232.517643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.517643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.517643 (E_RNA) where: Base-Base interactions energy: -162.691 where: short stacking energy: -86.680 Base-Backbone interact. energy: -1.009 local terms energy: -68.818421 where: bonds (distance) C4'-P energy: -14.563 bonds (distance) P-C4' energy: -18.668 flat angles C4'-P-C4' energy: -8.972 flat angles P-C4'-P energy: -4.618 tors. eta vs tors. theta energy: -21.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -214.176730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.176730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.176730 (E_RNA) where: Base-Base interactions energy: -141.725 where: short stacking energy: -63.461 Base-Backbone interact. energy: -0.219 local terms energy: -72.232887 where: bonds (distance) C4'-P energy: -15.357 bonds (distance) P-C4' energy: -15.058 flat angles C4'-P-C4' energy: -17.150 flat angles P-C4'-P energy: -7.303 tors. eta vs tors. theta energy: -17.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -203.262996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.262996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.262996 (E_RNA) where: Base-Base interactions energy: -138.613 where: short stacking energy: -60.215 Base-Backbone interact. energy: -0.029 local terms energy: -64.620936 where: bonds (distance) C4'-P energy: -10.509 bonds (distance) P-C4' energy: -14.770 flat angles C4'-P-C4' energy: -16.945 flat angles P-C4'-P energy: -11.069 tors. eta vs tors. theta energy: -11.328 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: 9, replica: 9 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -199.372848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.372848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.372848 (E_RNA) where: Base-Base interactions energy: -135.423 where: short stacking energy: -48.903 Base-Backbone interact. energy: -0.454 local terms energy: -63.495443 where: bonds (distance) C4'-P energy: -11.350 bonds (distance) P-C4' energy: -16.373 flat angles C4'-P-C4' energy: -18.639 flat angles P-C4'-P energy: -9.380 tors. eta vs tors. theta energy: -7.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -206.734836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.734836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.734836 (E_RNA) where: Base-Base interactions energy: -138.206 where: short stacking energy: -55.989 Base-Backbone interact. energy: -0.973 local terms energy: -67.556119 where: bonds (distance) C4'-P energy: -17.009 bonds (distance) P-C4' energy: -16.367 flat angles C4'-P-C4' energy: -12.916 flat angles P-C4'-P energy: -12.535 tors. eta vs tors. theta energy: -8.729 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: 1, replica: 7 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -290.517778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.517778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.517778 (E_RNA) where: Base-Base interactions energy: -199.678 where: short stacking energy: -89.361 Base-Backbone interact. energy: -1.472 local terms energy: -89.367477 where: bonds (distance) C4'-P energy: -18.139 bonds (distance) P-C4' energy: -17.865 flat angles C4'-P-C4' energy: -17.304 flat angles P-C4'-P energy: -13.041 tors. eta vs tors. theta energy: -23.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -290.412499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.412499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.412499 (E_RNA) where: Base-Base interactions energy: -198.089 where: short stacking energy: -85.454 Base-Backbone interact. energy: -2.784 local terms energy: -89.539691 where: bonds (distance) C4'-P energy: -17.262 bonds (distance) P-C4' energy: -18.068 flat angles C4'-P-C4' energy: -16.707 flat angles P-C4'-P energy: -12.654 tors. eta vs tors. theta energy: -24.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -285.205259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.205259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.205259 (E_RNA) where: Base-Base interactions energy: -212.677 where: short stacking energy: -93.877 Base-Backbone interact. energy: -1.260 local terms energy: -71.268142 where: bonds (distance) C4'-P energy: -9.619 bonds (distance) P-C4' energy: -13.175 flat angles C4'-P-C4' energy: -17.363 flat angles P-C4'-P energy: -10.312 tors. eta vs tors. theta energy: -20.800 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: 8 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -249.902147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.902147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.902147 (E_RNA) where: Base-Base interactions energy: -165.385 where: short stacking energy: -90.087 Base-Backbone interact. energy: -0.369 local terms energy: -84.147494 where: bonds (distance) C4'-P energy: -16.155 bonds (distance) P-C4' energy: -18.020 flat angles C4'-P-C4' energy: -16.901 flat angles P-C4'-P energy: -9.501 tors. eta vs tors. theta energy: -23.570 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: 5 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -231.787804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.787804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.787804 (E_RNA) where: Base-Base interactions energy: -150.257 where: short stacking energy: -76.172 Base-Backbone interact. energy: 0.963 local terms energy: -82.492935 where: bonds (distance) C4'-P energy: -15.284 bonds (distance) P-C4' energy: -19.527 flat angles C4'-P-C4' energy: -22.221 flat angles P-C4'-P energy: -10.080 tors. eta vs tors. theta energy: -15.381 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: 10 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -216.446263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.446263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.446263 (E_RNA) where: Base-Base interactions energy: -135.226 where: short stacking energy: -64.896 Base-Backbone interact. energy: -0.016 local terms energy: -81.204400 where: bonds (distance) C4'-P energy: -19.985 bonds (distance) P-C4' energy: -21.125 flat angles C4'-P-C4' energy: -19.399 flat angles P-C4'-P energy: -8.945 tors. eta vs tors. theta energy: -11.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -221.376982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.376982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.376982 (E_RNA) where: Base-Base interactions energy: -147.702 where: short stacking energy: -70.534 Base-Backbone interact. energy: -1.100 local terms energy: -72.575460 where: bonds (distance) C4'-P energy: -15.312 bonds (distance) P-C4' energy: -10.831 flat angles C4'-P-C4' energy: -18.036 flat angles P-C4'-P energy: -10.214 tors. eta vs tors. theta energy: -18.183 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: 9 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -203.850969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.850969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.850969 (E_RNA) where: Base-Base interactions energy: -146.669 where: short stacking energy: -66.654 Base-Backbone interact. energy: -0.044 local terms energy: -57.138334 where: bonds (distance) C4'-P energy: -14.009 bonds (distance) P-C4' energy: -17.032 flat angles C4'-P-C4' energy: -9.136 flat angles P-C4'-P energy: -7.733 tors. eta vs tors. theta energy: -9.228 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: 155 Temperature: 1.300000 Total energy: -194.964232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.964232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.964232 (E_RNA) where: Base-Base interactions energy: -135.509 where: short stacking energy: -58.016 Base-Backbone interact. energy: 1.181 local terms energy: -60.635754 where: bonds (distance) C4'-P energy: -8.033 bonds (distance) P-C4' energy: -14.367 flat angles C4'-P-C4' energy: -16.076 flat angles P-C4'-P energy: -9.428 tors. eta vs tors. theta energy: -12.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -194.580839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.580839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.580839 (E_RNA) where: Base-Base interactions energy: -133.985 where: short stacking energy: -59.973 Base-Backbone interact. energy: -0.075 local terms energy: -60.521043 where: bonds (distance) C4'-P energy: -11.756 bonds (distance) P-C4' energy: -15.017 flat angles C4'-P-C4' energy: -11.836 flat angles P-C4'-P energy: -9.569 tors. eta vs tors. theta energy: -12.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -296.449569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.449569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.449569 (E_RNA) where: Base-Base interactions energy: -206.751 where: short stacking energy: -91.539 Base-Backbone interact. energy: -0.898 local terms energy: -88.800234 where: bonds (distance) C4'-P energy: -17.906 bonds (distance) P-C4' energy: -20.342 flat angles C4'-P-C4' energy: -17.654 flat angles P-C4'-P energy: -10.699 tors. eta vs tors. theta energy: -22.199 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: 7 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -292.972439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.972439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.972439 (E_RNA) where: Base-Base interactions energy: -210.367 where: short stacking energy: -80.619 Base-Backbone interact. energy: -0.643 local terms energy: -81.962301 where: bonds (distance) C4'-P energy: -17.170 bonds (distance) P-C4' energy: -16.892 flat angles C4'-P-C4' energy: -20.282 flat angles P-C4'-P energy: -9.538 tors. eta vs tors. theta energy: -18.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -238.802900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.802900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.802900 (E_RNA) where: Base-Base interactions energy: -162.619 where: short stacking energy: -78.895 Base-Backbone interact. energy: -0.232 local terms energy: -75.952018 where: bonds (distance) C4'-P energy: -17.249 bonds (distance) P-C4' energy: -14.325 flat angles C4'-P-C4' energy: -20.876 flat angles P-C4'-P energy: -7.234 tors. eta vs tors. theta energy: -16.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -273.401091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.401091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.401091 (E_RNA) where: Base-Base interactions energy: -187.576 where: short stacking energy: -84.211 Base-Backbone interact. energy: -1.221 local terms energy: -84.603509 where: bonds (distance) C4'-P energy: -13.552 bonds (distance) P-C4' energy: -17.027 flat angles C4'-P-C4' energy: -18.998 flat angles P-C4'-P energy: -11.040 tors. eta vs tors. theta energy: -23.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -240.272179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.272179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.272179 (E_RNA) where: Base-Base interactions energy: -162.335 where: short stacking energy: -82.850 Base-Backbone interact. energy: -0.373 local terms energy: -77.564258 where: bonds (distance) C4'-P energy: -17.709 bonds (distance) P-C4' energy: -13.997 flat angles C4'-P-C4' energy: -14.378 flat angles P-C4'-P energy: -10.359 tors. eta vs tors. theta energy: -21.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -210.452901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.452901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.452901 (E_RNA) where: Base-Base interactions energy: -145.673 where: short stacking energy: -48.473 Base-Backbone interact. energy: -0.113 local terms energy: -64.666971 where: bonds (distance) C4'-P energy: -17.017 bonds (distance) P-C4' energy: -15.942 flat angles C4'-P-C4' energy: -13.600 flat angles P-C4'-P energy: -9.319 tors. eta vs tors. theta energy: -8.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -212.848606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.848606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.848606 (E_RNA) where: Base-Base interactions energy: -147.495 where: short stacking energy: -71.575 Base-Backbone interact. energy: -0.034 local terms energy: -65.319583 where: bonds (distance) C4'-P energy: -9.638 bonds (distance) P-C4' energy: -15.663 flat angles C4'-P-C4' energy: -14.145 flat angles P-C4'-P energy: -11.142 tors. eta vs tors. theta energy: -14.731 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: 6 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -213.757836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.757836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.757836 (E_RNA) where: Base-Base interactions energy: -140.011 where: short stacking energy: -73.019 Base-Backbone interact. energy: -0.694 local terms energy: -73.052264 where: bonds (distance) C4'-P energy: -17.356 bonds (distance) P-C4' energy: -8.472 flat angles C4'-P-C4' energy: -17.608 flat angles P-C4'-P energy: -11.791 tors. eta vs tors. theta energy: -17.826 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: 1 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -215.862730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.862730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.862730 (E_RNA) where: Base-Base interactions energy: -157.264 where: short stacking energy: -72.360 Base-Backbone interact. energy: -0.054 local terms energy: -58.544647 where: bonds (distance) C4'-P energy: -9.798 bonds (distance) P-C4' energy: -16.015 flat angles C4'-P-C4' energy: -8.341 flat angles P-C4'-P energy: -1.353 tors. eta vs tors. theta energy: -23.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -195.430172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.430172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.430172 (E_RNA) where: Base-Base interactions energy: -130.514 where: short stacking energy: -58.627 Base-Backbone interact. energy: -0.124 local terms energy: -64.791701 where: bonds (distance) C4'-P energy: -15.267 bonds (distance) P-C4' energy: -15.024 flat angles C4'-P-C4' energy: -11.979 flat angles P-C4'-P energy: -13.605 tors. eta vs tors. theta energy: -8.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -292.545132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.545132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.545132 (E_RNA) where: Base-Base interactions energy: -205.521 where: short stacking energy: -87.569 Base-Backbone interact. energy: -0.712 local terms energy: -86.312561 where: bonds (distance) C4'-P energy: -16.325 bonds (distance) P-C4' energy: -20.411 flat angles C4'-P-C4' energy: -17.277 flat angles P-C4'-P energy: -11.559 tors. eta vs tors. theta energy: -20.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -286.493250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.493250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.493250 (E_RNA) where: Base-Base interactions energy: -207.584 where: short stacking energy: -90.886 Base-Backbone interact. energy: -0.625 local terms energy: -78.283960 where: bonds (distance) C4'-P energy: -15.162 bonds (distance) P-C4' energy: -17.054 flat angles C4'-P-C4' energy: -16.569 flat angles P-C4'-P energy: -7.690 tors. eta vs tors. theta energy: -21.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -241.576814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.576814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.576814 (E_RNA) where: Base-Base interactions energy: -163.558 where: short stacking energy: -86.843 Base-Backbone interact. energy: -0.042 local terms energy: -77.976761 where: bonds (distance) C4'-P energy: -15.776 bonds (distance) P-C4' energy: -19.386 flat angles C4'-P-C4' energy: -12.281 flat angles P-C4'-P energy: -11.633 tors. eta vs tors. theta energy: -18.901 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: 10 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -242.650159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.650159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.650159 (E_RNA) where: Base-Base interactions energy: -168.795 where: short stacking energy: -80.377 Base-Backbone interact. energy: -0.505 local terms energy: -73.349656 where: bonds (distance) C4'-P energy: -17.051 bonds (distance) P-C4' energy: -14.735 flat angles C4'-P-C4' energy: -17.370 flat angles P-C4'-P energy: -6.565 tors. eta vs tors. theta energy: -17.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -268.492693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.492693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.492693 (E_RNA) where: Base-Base interactions energy: -186.184 where: short stacking energy: -74.248 Base-Backbone interact. energy: -0.534 local terms energy: -81.774628 where: bonds (distance) C4'-P energy: -19.874 bonds (distance) P-C4' energy: -18.149 flat angles C4'-P-C4' energy: -14.134 flat angles P-C4'-P energy: -11.042 tors. eta vs tors. theta energy: -18.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -216.470828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.470828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.470828 (E_RNA) where: Base-Base interactions energy: -146.811 where: short stacking energy: -62.379 Base-Backbone interact. energy: -0.265 local terms energy: -69.395030 where: bonds (distance) C4'-P energy: -11.929 bonds (distance) P-C4' energy: -17.674 flat angles C4'-P-C4' energy: -16.492 flat angles P-C4'-P energy: -9.174 tors. eta vs tors. theta energy: -14.126 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: 7, replica: 5 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -215.222819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.222819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.222819 (E_RNA) where: Base-Base interactions energy: -146.858 where: short stacking energy: -77.320 Base-Backbone interact. energy: -0.507 local terms energy: -67.857093 where: bonds (distance) C4'-P energy: -17.415 bonds (distance) P-C4' energy: -10.629 flat angles C4'-P-C4' energy: -15.665 flat angles P-C4'-P energy: -11.180 tors. eta vs tors. theta energy: -12.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -189.289828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.289828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.289828 (E_RNA) where: Base-Base interactions energy: -124.667 where: short stacking energy: -67.385 Base-Backbone interact. energy: -0.369 local terms energy: -64.254358 where: bonds (distance) C4'-P energy: -12.526 bonds (distance) P-C4' energy: -14.205 flat angles C4'-P-C4' energy: -15.016 flat angles P-C4'-P energy: -10.165 tors. eta vs tors. theta energy: -12.341 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: 6 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -218.600880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.600880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.600880 (E_RNA) where: Base-Base interactions energy: -146.785 where: short stacking energy: -71.492 Base-Backbone interact. energy: 0.930 local terms energy: -72.746195 where: bonds (distance) C4'-P energy: -17.621 bonds (distance) P-C4' energy: -13.149 flat angles C4'-P-C4' energy: -13.256 flat angles P-C4'-P energy: -13.391 tors. eta vs tors. theta energy: -15.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -201.995445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.995445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.995445 (E_RNA) where: Base-Base interactions energy: -138.383 where: short stacking energy: -67.824 Base-Backbone interact. energy: -0.091 local terms energy: -63.521399 where: bonds (distance) C4'-P energy: -11.078 bonds (distance) P-C4' energy: -12.492 flat angles C4'-P-C4' energy: -12.568 flat angles P-C4'-P energy: -12.565 tors. eta vs tors. theta energy: -14.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -293.004424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.004424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.004424 (E_RNA) where: Base-Base interactions energy: -208.871 where: short stacking energy: -92.700 Base-Backbone interact. energy: -0.927 local terms energy: -83.205740 where: bonds (distance) C4'-P energy: -18.073 bonds (distance) P-C4' energy: -19.908 flat angles C4'-P-C4' energy: -19.301 flat angles P-C4'-P energy: -3.979 tors. eta vs tors. theta energy: -21.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -292.211555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.211555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.211555 (E_RNA) where: Base-Base interactions energy: -200.811 where: short stacking energy: -82.294 Base-Backbone interact. energy: -2.231 local terms energy: -89.168849 where: bonds (distance) C4'-P energy: -18.773 bonds (distance) P-C4' energy: -19.864 flat angles C4'-P-C4' energy: -19.980 flat angles P-C4'-P energy: -9.881 tors. eta vs tors. theta energy: -20.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -243.496931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.496931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.496931 (E_RNA) where: Base-Base interactions energy: -162.122 where: short stacking energy: -80.756 Base-Backbone interact. energy: -0.006 local terms energy: -81.369178 where: bonds (distance) C4'-P energy: -17.054 bonds (distance) P-C4' energy: -13.201 flat angles C4'-P-C4' energy: -19.086 flat angles P-C4'-P energy: -11.296 tors. eta vs tors. theta energy: -20.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -254.344178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.344178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.344178 (E_RNA) where: Base-Base interactions energy: -174.148 where: short stacking energy: -82.991 Base-Backbone interact. energy: -0.580 local terms energy: -79.616419 where: bonds (distance) C4'-P energy: -17.757 bonds (distance) P-C4' energy: -16.859 flat angles C4'-P-C4' energy: -16.984 flat angles P-C4'-P energy: -5.459 tors. eta vs tors. theta energy: -22.558 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: 3 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -265.229006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.229006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.229006 (E_RNA) where: Base-Base interactions energy: -187.274 where: short stacking energy: -80.915 Base-Backbone interact. energy: -0.158 local terms energy: -77.796936 where: bonds (distance) C4'-P energy: -11.409 bonds (distance) P-C4' energy: -15.906 flat angles C4'-P-C4' energy: -19.088 flat angles P-C4'-P energy: -10.188 tors. eta vs tors. theta energy: -21.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -221.557689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.557689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.557689 (E_RNA) where: Base-Base interactions energy: -142.088 where: short stacking energy: -65.273 Base-Backbone interact. energy: 1.274 local terms energy: -80.743445 where: bonds (distance) C4'-P energy: -19.912 bonds (distance) P-C4' energy: -19.243 flat angles C4'-P-C4' energy: -16.186 flat angles P-C4'-P energy: -7.344 tors. eta vs tors. theta energy: -18.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -210.288950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.288950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.288950 (E_RNA) where: Base-Base interactions energy: -148.604 where: short stacking energy: -74.134 Base-Backbone interact. energy: -0.498 local terms energy: -61.187190 where: bonds (distance) C4'-P energy: -9.116 bonds (distance) P-C4' energy: -16.840 flat angles C4'-P-C4' energy: -16.982 flat angles P-C4'-P energy: -3.208 tors. eta vs tors. theta energy: -15.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -207.909956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.909956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.909956 (E_RNA) where: Base-Base interactions energy: -130.853 where: short stacking energy: -68.055 Base-Backbone interact. energy: -0.414 local terms energy: -76.642999 where: bonds (distance) C4'-P energy: -15.660 bonds (distance) P-C4' energy: -15.254 flat angles C4'-P-C4' energy: -16.675 flat angles P-C4'-P energy: -10.916 tors. eta vs tors. theta energy: -18.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -197.711530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.711530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.711530 (E_RNA) where: Base-Base interactions energy: -124.086 where: short stacking energy: -54.630 Base-Backbone interact. energy: -0.157 local terms energy: -73.468830 where: bonds (distance) C4'-P energy: -17.569 bonds (distance) P-C4' energy: -16.642 flat angles C4'-P-C4' energy: -16.903 flat angles P-C4'-P energy: -5.719 tors. eta vs tors. theta energy: -16.636 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: 6 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -196.728878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.728878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.728878 (E_RNA) where: Base-Base interactions energy: -133.349 where: short stacking energy: -61.746 Base-Backbone interact. energy: -0.455 local terms energy: -62.925766 where: bonds (distance) C4'-P energy: -12.791 bonds (distance) P-C4' energy: -14.041 flat angles C4'-P-C4' energy: -16.922 flat angles P-C4'-P energy: -7.785 tors. eta vs tors. theta energy: -11.387 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: 1, replica: 7 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -293.087074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.087074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.087074 (E_RNA) where: Base-Base interactions energy: -203.373 where: short stacking energy: -91.840 Base-Backbone interact. energy: -3.436 local terms energy: -86.277388 where: bonds (distance) C4'-P energy: -18.086 bonds (distance) P-C4' energy: -18.755 flat angles C4'-P-C4' energy: -16.214 flat angles P-C4'-P energy: -11.403 tors. eta vs tors. theta energy: -21.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -257.001388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.001388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.001388 (E_RNA) where: Base-Base interactions energy: -176.409 where: short stacking energy: -87.786 Base-Backbone interact. energy: -0.353 local terms energy: -80.239672 where: bonds (distance) C4'-P energy: -12.641 bonds (distance) P-C4' energy: -18.812 flat angles C4'-P-C4' energy: -17.533 flat angles P-C4'-P energy: -12.846 tors. eta vs tors. theta energy: -18.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -279.370910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.370910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.370910 (E_RNA) where: Base-Base interactions energy: -195.414 where: short stacking energy: -87.480 Base-Backbone interact. energy: 1.293 local terms energy: -85.250677 where: bonds (distance) C4'-P energy: -15.588 bonds (distance) P-C4' energy: -19.585 flat angles C4'-P-C4' energy: -17.615 flat angles P-C4'-P energy: -12.519 tors. eta vs tors. theta energy: -19.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -261.073304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.073304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.073304 (E_RNA) where: Base-Base interactions energy: -177.233 where: short stacking energy: -83.976 Base-Backbone interact. energy: -0.436 local terms energy: -83.405138 where: bonds (distance) C4'-P energy: -17.771 bonds (distance) P-C4' energy: -18.906 flat angles C4'-P-C4' energy: -15.071 flat angles P-C4'-P energy: -10.442 tors. eta vs tors. theta energy: -21.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -220.016627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.016627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.016627 (E_RNA) where: Base-Base interactions energy: -147.943 where: short stacking energy: -76.478 Base-Backbone interact. energy: -0.005 local terms energy: -72.069153 where: bonds (distance) C4'-P energy: -15.319 bonds (distance) P-C4' energy: -14.770 flat angles C4'-P-C4' energy: -15.769 flat angles P-C4'-P energy: -11.241 tors. eta vs tors. theta energy: -14.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -228.822599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.822599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.822599 (E_RNA) where: Base-Base interactions energy: -148.367 where: short stacking energy: -66.871 Base-Backbone interact. energy: -0.361 local terms energy: -80.095010 where: bonds (distance) C4'-P energy: -15.759 bonds (distance) P-C4' energy: -19.868 flat angles C4'-P-C4' energy: -18.728 flat angles P-C4'-P energy: -9.841 tors. eta vs tors. theta energy: -15.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -208.121964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.121964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.121964 (E_RNA) where: Base-Base interactions energy: -138.718 where: short stacking energy: -66.754 Base-Backbone interact. energy: -0.369 local terms energy: -69.034809 where: bonds (distance) C4'-P energy: -9.032 bonds (distance) P-C4' energy: -17.041 flat angles C4'-P-C4' energy: -16.127 flat angles P-C4'-P energy: -11.009 tors. eta vs tors. theta energy: -15.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -217.692684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.692684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.692684 (E_RNA) where: Base-Base interactions energy: -149.301 where: short stacking energy: -74.004 Base-Backbone interact. energy: -0.739 local terms energy: -67.653021 where: bonds (distance) C4'-P energy: -15.064 bonds (distance) P-C4' energy: -15.476 flat angles C4'-P-C4' energy: -15.717 flat angles P-C4'-P energy: -7.532 tors. eta vs tors. theta energy: -13.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -213.397845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.397845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.397845 (E_RNA) where: Base-Base interactions energy: -142.147 where: short stacking energy: -66.855 Base-Backbone interact. energy: -0.140 local terms energy: -71.111811 where: bonds (distance) C4'-P energy: -15.416 bonds (distance) P-C4' energy: -16.503 flat angles C4'-P-C4' energy: -16.772 flat angles P-C4'-P energy: -7.382 tors. eta vs tors. theta energy: -15.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -198.489198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.489198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.489198 (E_RNA) where: Base-Base interactions energy: -126.957 where: short stacking energy: -52.494 Base-Backbone interact. energy: 0.286 local terms energy: -71.818844 where: bonds (distance) C4'-P energy: -14.735 bonds (distance) P-C4' energy: -15.861 flat angles C4'-P-C4' energy: -12.852 flat angles P-C4'-P energy: -12.774 tors. eta vs tors. theta energy: -15.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -289.424465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.424465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.424465 (E_RNA) where: Base-Base interactions energy: -203.962 where: short stacking energy: -87.645 Base-Backbone interact. energy: -2.703 local terms energy: -82.759559 where: bonds (distance) C4'-P energy: -11.243 bonds (distance) P-C4' energy: -15.994 flat angles C4'-P-C4' energy: -18.904 flat angles P-C4'-P energy: -13.158 tors. eta vs tors. theta energy: -23.460 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: 8 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -257.981055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.981055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.981055 (E_RNA) where: Base-Base interactions energy: -176.842 where: short stacking energy: -91.138 Base-Backbone interact. energy: 2.564 local terms energy: -83.703082 where: bonds (distance) C4'-P energy: -16.794 bonds (distance) P-C4' energy: -19.711 flat angles C4'-P-C4' energy: -19.402 flat angles P-C4'-P energy: -9.015 tors. eta vs tors. theta energy: -18.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -279.063088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.063088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.063088 (E_RNA) where: Base-Base interactions energy: -200.733 where: short stacking energy: -89.217 Base-Backbone interact. energy: -0.914 local terms energy: -77.415984 where: bonds (distance) C4'-P energy: -12.218 bonds (distance) P-C4' energy: -17.019 flat angles C4'-P-C4' energy: -17.628 flat angles P-C4'-P energy: -8.150 tors. eta vs tors. theta energy: -22.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -258.549879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.549879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.549879 (E_RNA) where: Base-Base interactions energy: -180.022 where: short stacking energy: -79.543 Base-Backbone interact. energy: -0.368 local terms energy: -78.159389 where: bonds (distance) C4'-P energy: -16.795 bonds (distance) P-C4' energy: -15.550 flat angles C4'-P-C4' energy: -17.823 flat angles P-C4'-P energy: -9.079 tors. eta vs tors. theta energy: -18.913 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: 9 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -224.516035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.516035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.516035 (E_RNA) where: Base-Base interactions energy: -150.992 where: short stacking energy: -74.002 Base-Backbone interact. energy: -0.059 local terms energy: -73.465881 where: bonds (distance) C4'-P energy: -18.039 bonds (distance) P-C4' energy: -11.615 flat angles C4'-P-C4' energy: -15.999 flat angles P-C4'-P energy: -13.584 tors. eta vs tors. theta energy: -14.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -226.398355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.398355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.398355 (E_RNA) where: Base-Base interactions energy: -163.302 where: short stacking energy: -77.749 Base-Backbone interact. energy: 2.132 local terms energy: -65.228508 where: bonds (distance) C4'-P energy: -12.235 bonds (distance) P-C4' energy: -12.941 flat angles C4'-P-C4' energy: -17.453 flat angles P-C4'-P energy: -7.810 tors. eta vs tors. theta energy: -14.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -210.256133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.256133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.256133 (E_RNA) where: Base-Base interactions energy: -143.869 where: short stacking energy: -64.165 Base-Backbone interact. energy: 1.792 local terms energy: -68.178412 where: bonds (distance) C4'-P energy: -17.818 bonds (distance) P-C4' energy: -14.910 flat angles C4'-P-C4' energy: -13.544 flat angles P-C4'-P energy: -10.638 tors. eta vs tors. theta energy: -11.268 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: 1 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -211.387163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.387163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.387163 (E_RNA) where: Base-Base interactions energy: -142.546 where: short stacking energy: -69.959 Base-Backbone interact. energy: -0.011 local terms energy: -68.830093 where: bonds (distance) C4'-P energy: -13.864 bonds (distance) P-C4' energy: -15.372 flat angles C4'-P-C4' energy: -16.830 flat angles P-C4'-P energy: -4.746 tors. eta vs tors. theta energy: -18.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -186.822041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.822041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.822041 (E_RNA) where: Base-Base interactions energy: -119.494 where: short stacking energy: -48.603 Base-Backbone interact. energy: 0.910 local terms energy: -68.237770 where: bonds (distance) C4'-P energy: -17.911 bonds (distance) P-C4' energy: -17.946 flat angles C4'-P-C4' energy: -10.954 flat angles P-C4'-P energy: -12.092 tors. eta vs tors. theta energy: -9.334 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: 2 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -195.937391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.937391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.937391 (E_RNA) where: Base-Base interactions energy: -129.948 where: short stacking energy: -61.137 Base-Backbone interact. energy: -0.221 local terms energy: -65.768277 where: bonds (distance) C4'-P energy: -15.259 bonds (distance) P-C4' energy: -13.671 flat angles C4'-P-C4' energy: -14.209 flat angles P-C4'-P energy: -11.759 tors. eta vs tors. theta energy: -10.871 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: 7 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -290.612492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.612492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.612492 (E_RNA) where: Base-Base interactions energy: -208.366 where: short stacking energy: -89.703 Base-Backbone interact. energy: -1.020 local terms energy: -81.227209 where: bonds (distance) C4'-P energy: -16.470 bonds (distance) P-C4' energy: -18.880 flat angles C4'-P-C4' energy: -18.898 flat angles P-C4'-P energy: -6.611 tors. eta vs tors. theta energy: -20.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -287.867098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.867098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.867098 (E_RNA) where: Base-Base interactions energy: -201.974 where: short stacking energy: -95.058 Base-Backbone interact. energy: -0.692 local terms energy: -85.200324 where: bonds (distance) C4'-P energy: -18.148 bonds (distance) P-C4' energy: -16.252 flat angles C4'-P-C4' energy: -18.920 flat angles P-C4'-P energy: -11.396 tors. eta vs tors. theta energy: -20.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -259.251922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.251922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.251922 (E_RNA) where: Base-Base interactions energy: -170.015 where: short stacking energy: -92.053 Base-Backbone interact. energy: -0.003 local terms energy: -89.233952 where: bonds (distance) C4'-P energy: -14.517 bonds (distance) P-C4' energy: -19.722 flat angles C4'-P-C4' energy: -19.653 flat angles P-C4'-P energy: -12.251 tors. eta vs tors. theta energy: -23.091 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: 161 Temperature: 1.050000 Total energy: -264.906943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.906943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.906943 (E_RNA) where: Base-Base interactions energy: -190.933 where: short stacking energy: -86.281 Base-Backbone interact. energy: 0.386 local terms energy: -74.359711 where: bonds (distance) C4'-P energy: -15.688 bonds (distance) P-C4' energy: -17.133 flat angles C4'-P-C4' energy: -16.022 flat angles P-C4'-P energy: -6.433 tors. eta vs tors. theta energy: -19.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -231.904897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.904897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.904897 (E_RNA) where: Base-Base interactions energy: -149.785 where: short stacking energy: -75.536 Base-Backbone interact. energy: -0.637 local terms energy: -81.483597 where: bonds (distance) C4'-P energy: -16.600 bonds (distance) P-C4' energy: -17.551 flat angles C4'-P-C4' energy: -17.985 flat angles P-C4'-P energy: -13.629 tors. eta vs tors. theta energy: -15.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -227.801369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.801369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.801369 (E_RNA) where: Base-Base interactions energy: -151.566 where: short stacking energy: -68.228 Base-Backbone interact. energy: -0.172 local terms energy: -76.062904 where: bonds (distance) C4'-P energy: -15.060 bonds (distance) P-C4' energy: -17.160 flat angles C4'-P-C4' energy: -17.717 flat angles P-C4'-P energy: -12.220 tors. eta vs tors. theta energy: -13.907 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: 161 Temperature: 1.200000 Total energy: -221.685974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.685974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.685974 (E_RNA) where: Base-Base interactions energy: -152.511 where: short stacking energy: -68.581 Base-Backbone interact. energy: -1.057 local terms energy: -68.118682 where: bonds (distance) C4'-P energy: -16.181 bonds (distance) P-C4' energy: -13.925 flat angles C4'-P-C4' energy: -16.850 flat angles P-C4'-P energy: -5.582 tors. eta vs tors. theta energy: -15.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -202.121332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.121332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.121332 (E_RNA) where: Base-Base interactions energy: -133.507 where: short stacking energy: -56.997 Base-Backbone interact. energy: -0.277 local terms energy: -68.336481 where: bonds (distance) C4'-P energy: -14.919 bonds (distance) P-C4' energy: -16.505 flat angles C4'-P-C4' energy: -16.195 flat angles P-C4'-P energy: -11.957 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: 9, replica: 1 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -207.384769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.384769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.384769 (E_RNA) where: Base-Base interactions energy: -129.646 where: short stacking energy: -56.188 Base-Backbone interact. energy: -0.032 local terms energy: -77.707019 where: bonds (distance) C4'-P energy: -16.872 bonds (distance) P-C4' energy: -18.564 flat angles C4'-P-C4' energy: -16.410 flat angles P-C4'-P energy: -8.804 tors. eta vs tors. theta energy: -17.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -215.538269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.538269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.538269 (E_RNA) where: Base-Base interactions energy: -145.883 where: short stacking energy: -73.127 Base-Backbone interact. energy: -0.202 local terms energy: -69.453250 where: bonds (distance) C4'-P energy: -13.930 bonds (distance) P-C4' energy: -13.916 flat angles C4'-P-C4' energy: -16.294 flat angles P-C4'-P energy: -8.977 tors. eta vs tors. theta energy: -16.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -293.592463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.592463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.592463 (E_RNA) where: Base-Base interactions energy: -211.783 where: short stacking energy: -95.336 Base-Backbone interact. energy: -0.079 local terms energy: -81.730684 where: bonds (distance) C4'-P energy: -15.067 bonds (distance) P-C4' energy: -17.600 flat angles C4'-P-C4' energy: -18.020 flat angles P-C4'-P energy: -7.637 tors. eta vs tors. theta energy: -23.406 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: 162 Temperature: 0.950000 Total energy: -292.336594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.336594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.336594 (E_RNA) where: Base-Base interactions energy: -207.151 where: short stacking energy: -94.061 Base-Backbone interact. energy: 0.222 local terms energy: -85.407666 where: bonds (distance) C4'-P energy: -17.078 bonds (distance) P-C4' energy: -19.206 flat angles C4'-P-C4' energy: -19.125 flat angles P-C4'-P energy: -8.449 tors. eta vs tors. theta energy: -21.550 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: 8 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -259.562260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.562260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.562260 (E_RNA) where: Base-Base interactions energy: -179.381 where: short stacking energy: -93.562 Base-Backbone interact. energy: -0.171 local terms energy: -80.010192 where: bonds (distance) C4'-P energy: -15.507 bonds (distance) P-C4' energy: -12.911 flat angles C4'-P-C4' energy: -18.152 flat angles P-C4'-P energy: -9.683 tors. eta vs tors. theta energy: -23.757 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: 3 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -273.183465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.183465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.183465 (E_RNA) where: Base-Base interactions energy: -206.067 where: short stacking energy: -92.740 Base-Backbone interact. energy: -0.287 local terms energy: -66.829085 where: bonds (distance) C4'-P energy: -11.238 bonds (distance) P-C4' energy: -13.272 flat angles C4'-P-C4' energy: -13.434 flat angles P-C4'-P energy: -7.999 tors. eta vs tors. theta energy: -20.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -225.484331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.484331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.484331 (E_RNA) where: Base-Base interactions energy: -151.995 where: short stacking energy: -63.045 Base-Backbone interact. energy: -0.405 local terms energy: -73.083660 where: bonds (distance) C4'-P energy: -13.739 bonds (distance) P-C4' energy: -17.967 flat angles C4'-P-C4' energy: -15.763 flat angles P-C4'-P energy: -10.365 tors. eta vs tors. theta energy: -15.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -218.914760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.914760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.914760 (E_RNA) where: Base-Base interactions energy: -146.686 where: short stacking energy: -78.065 Base-Backbone interact. energy: 0.017 local terms energy: -72.245698 where: bonds (distance) C4'-P energy: -7.638 bonds (distance) P-C4' energy: -17.485 flat angles C4'-P-C4' energy: -18.973 flat angles P-C4'-P energy: -12.583 tors. eta vs tors. theta energy: -15.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -211.975388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.975388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.975388 (E_RNA) where: Base-Base interactions energy: -144.268 where: short stacking energy: -66.457 Base-Backbone interact. energy: -0.012 local terms energy: -67.695266 where: bonds (distance) C4'-P energy: -9.223 bonds (distance) P-C4' energy: -16.607 flat angles C4'-P-C4' energy: -15.875 flat angles P-C4'-P energy: -9.691 tors. eta vs tors. theta energy: -16.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -208.514982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.514982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.514982 (E_RNA) where: Base-Base interactions energy: -142.105 where: short stacking energy: -64.521 Base-Backbone interact. energy: 0.215 local terms energy: -66.625296 where: bonds (distance) C4'-P energy: -15.138 bonds (distance) P-C4' energy: -13.378 flat angles C4'-P-C4' energy: -15.914 flat angles P-C4'-P energy: -7.606 tors. eta vs tors. theta energy: -14.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -204.252908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.252908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.252908 (E_RNA) where: Base-Base interactions energy: -137.471 where: short stacking energy: -53.824 Base-Backbone interact. energy: -0.378 local terms energy: -66.403757 where: bonds (distance) C4'-P energy: -13.548 bonds (distance) P-C4' energy: -13.783 flat angles C4'-P-C4' energy: -12.489 flat angles P-C4'-P energy: -11.010 tors. eta vs tors. theta energy: -15.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -203.090183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.090183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.090183 (E_RNA) where: Base-Base interactions energy: -138.637 where: short stacking energy: -57.619 Base-Backbone interact. energy: -1.596 local terms energy: -62.857190 where: bonds (distance) C4'-P energy: -11.296 bonds (distance) P-C4' energy: -16.518 flat angles C4'-P-C4' energy: -15.102 flat angles P-C4'-P energy: -4.050 tors. eta vs tors. theta energy: -15.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -298.592685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.592685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.592685 (E_RNA) where: Base-Base interactions energy: -209.774 where: short stacking energy: -92.873 Base-Backbone interact. energy: -0.845 local terms energy: -87.974093 where: bonds (distance) C4'-P energy: -19.982 bonds (distance) P-C4' energy: -17.792 flat angles C4'-P-C4' energy: -15.659 flat angles P-C4'-P energy: -11.130 tors. eta vs tors. theta energy: -23.411 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: 7 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -288.589873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.589873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.589873 (E_RNA) where: Base-Base interactions energy: -202.885 where: short stacking energy: -93.747 Base-Backbone interact. energy: -0.091 local terms energy: -85.614277 where: bonds (distance) C4'-P energy: -17.476 bonds (distance) P-C4' energy: -17.629 flat angles C4'-P-C4' energy: -17.735 flat angles P-C4'-P energy: -9.919 tors. eta vs tors. theta energy: -22.855 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: 8 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -236.912088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.912088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.912088 (E_RNA) where: Base-Base interactions energy: -167.514 where: short stacking energy: -81.518 Base-Backbone interact. energy: -0.780 local terms energy: -68.617826 where: bonds (distance) C4'-P energy: -14.546 bonds (distance) P-C4' energy: -13.949 flat angles C4'-P-C4' energy: -16.147 flat angles P-C4'-P energy: -7.625 tors. eta vs tors. theta energy: -16.351 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: 163 Temperature: 1.050000 Total energy: -261.399437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.399437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.399437 (E_RNA) where: Base-Base interactions energy: -187.570 where: short stacking energy: -79.225 Base-Backbone interact. energy: -1.451 local terms energy: -72.378403 where: bonds (distance) C4'-P energy: -15.282 bonds (distance) P-C4' energy: -14.431 flat angles C4'-P-C4' energy: -16.609 flat angles P-C4'-P energy: -9.935 tors. eta vs tors. theta energy: -16.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -216.596158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.596158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.596158 (E_RNA) where: Base-Base interactions energy: -141.264 where: short stacking energy: -65.858 Base-Backbone interact. energy: -0.367 local terms energy: -74.965140 where: bonds (distance) C4'-P energy: -15.553 bonds (distance) P-C4' energy: -16.915 flat angles C4'-P-C4' energy: -17.804 flat angles P-C4'-P energy: -10.457 tors. eta vs tors. theta energy: -14.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -222.444118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.444118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.444118 (E_RNA) where: Base-Base interactions energy: -148.001 where: short stacking energy: -69.576 Base-Backbone interact. energy: -0.131 local terms energy: -74.312024 where: bonds (distance) C4'-P energy: -17.213 bonds (distance) P-C4' energy: -15.889 flat angles C4'-P-C4' energy: -13.901 flat angles P-C4'-P energy: -12.874 tors. eta vs tors. theta energy: -14.435 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: 10 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -222.369373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.369373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.369373 (E_RNA) where: Base-Base interactions energy: -147.468 where: short stacking energy: -68.223 Base-Backbone interact. energy: -0.003 local terms energy: -74.897839 where: bonds (distance) C4'-P energy: -15.089 bonds (distance) P-C4' energy: -11.360 flat angles C4'-P-C4' energy: -18.706 flat angles P-C4'-P energy: -10.897 tors. eta vs tors. theta energy: -18.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -217.161775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.161775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.161775 (E_RNA) where: Base-Base interactions energy: -143.148 where: short stacking energy: -69.109 Base-Backbone interact. energy: -0.633 local terms energy: -73.380897 where: bonds (distance) C4'-P energy: -10.137 bonds (distance) P-C4' energy: -16.694 flat angles C4'-P-C4' energy: -16.305 flat angles P-C4'-P energy: -11.336 tors. eta vs tors. theta energy: -18.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -202.912528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.912528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.912528 (E_RNA) where: Base-Base interactions energy: -139.202 where: short stacking energy: -67.354 Base-Backbone interact. energy: -0.827 local terms energy: -62.883478 where: bonds (distance) C4'-P energy: -10.364 bonds (distance) P-C4' energy: -16.206 flat angles C4'-P-C4' energy: -11.803 flat angles P-C4'-P energy: -10.486 tors. eta vs tors. theta energy: -14.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -199.334786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.334786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.334786 (E_RNA) where: Base-Base interactions energy: -129.168 where: short stacking energy: -56.905 Base-Backbone interact. energy: -0.023 local terms energy: -70.143500 where: bonds (distance) C4'-P energy: -11.357 bonds (distance) P-C4' energy: -20.849 flat angles C4'-P-C4' energy: -17.827 flat angles P-C4'-P energy: -10.532 tors. eta vs tors. theta energy: -9.578 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: 7 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -291.294403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.294403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.294403 (E_RNA) where: Base-Base interactions energy: -206.389 where: short stacking energy: -88.432 Base-Backbone interact. energy: -1.668 local terms energy: -83.236997 where: bonds (distance) C4'-P energy: -11.668 bonds (distance) P-C4' energy: -17.699 flat angles C4'-P-C4' energy: -20.485 flat angles P-C4'-P energy: -13.531 tors. eta vs tors. theta energy: -19.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -287.946973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.946973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.946973 (E_RNA) where: Base-Base interactions energy: -205.102 where: short stacking energy: -92.046 Base-Backbone interact. energy: -0.527 local terms energy: -82.317997 where: bonds (distance) C4'-P energy: -15.937 bonds (distance) P-C4' energy: -14.041 flat angles C4'-P-C4' energy: -18.251 flat angles P-C4'-P energy: -10.886 tors. eta vs tors. theta energy: -23.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -254.730822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.730822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.730822 (E_RNA) where: Base-Base interactions energy: -183.620 where: short stacking energy: -73.798 Base-Backbone interact. energy: -1.782 local terms energy: -69.328508 where: bonds (distance) C4'-P energy: -14.234 bonds (distance) P-C4' energy: -16.425 flat angles C4'-P-C4' energy: -14.476 flat angles P-C4'-P energy: -13.270 tors. eta vs tors. theta energy: -10.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -238.514661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.514661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.514661 (E_RNA) where: Base-Base interactions energy: -162.414 where: short stacking energy: -70.032 Base-Backbone interact. energy: -0.354 local terms energy: -75.746082 where: bonds (distance) C4'-P energy: -16.691 bonds (distance) P-C4' energy: -17.530 flat angles C4'-P-C4' energy: -18.815 flat angles P-C4'-P energy: -8.281 tors. eta vs tors. theta energy: -14.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -231.478263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.478263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.478263 (E_RNA) where: Base-Base interactions energy: -152.662 where: short stacking energy: -69.096 Base-Backbone interact. energy: 0.095 local terms energy: -78.911249 where: bonds (distance) C4'-P energy: -16.226 bonds (distance) P-C4' energy: -19.058 flat angles C4'-P-C4' energy: -19.318 flat angles P-C4'-P energy: -8.789 tors. eta vs tors. theta energy: -15.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -219.915608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.915608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.915608 (E_RNA) where: Base-Base interactions energy: -146.787 where: short stacking energy: -75.119 Base-Backbone interact. energy: -0.131 local terms energy: -72.997357 where: bonds (distance) C4'-P energy: -10.201 bonds (distance) P-C4' energy: -16.627 flat angles C4'-P-C4' energy: -15.333 flat angles P-C4'-P energy: -11.973 tors. eta vs tors. theta energy: -18.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -216.776945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.776945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.776945 (E_RNA) where: Base-Base interactions energy: -150.057 where: short stacking energy: -62.676 Base-Backbone interact. energy: -0.142 local terms energy: -66.577100 where: bonds (distance) C4'-P energy: -13.217 bonds (distance) P-C4' energy: -18.371 flat angles C4'-P-C4' energy: -16.959 flat angles P-C4'-P energy: -5.484 tors. eta vs tors. theta energy: -12.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -211.726270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.726270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.726270 (E_RNA) where: Base-Base interactions energy: -146.775 where: short stacking energy: -66.837 Base-Backbone interact. energy: -0.003 local terms energy: -64.948237 where: bonds (distance) C4'-P energy: -15.933 bonds (distance) P-C4' energy: -11.832 flat angles C4'-P-C4' energy: -12.936 flat angles P-C4'-P energy: -10.662 tors. eta vs tors. theta energy: -13.585 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: 1 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -204.040668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.040668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.040668 (E_RNA) where: Base-Base interactions energy: -145.383 where: short stacking energy: -59.175 Base-Backbone interact. energy: 2.501 local terms energy: -61.159378 where: bonds (distance) C4'-P energy: -13.917 bonds (distance) P-C4' energy: -14.193 flat angles C4'-P-C4' energy: -11.844 flat angles P-C4'-P energy: -4.878 tors. eta vs tors. theta energy: -16.327 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: 10, replica: 5 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -191.459505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.459505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.459505 (E_RNA) where: Base-Base interactions energy: -130.039 where: short stacking energy: -55.757 Base-Backbone interact. energy: -0.374 local terms energy: -61.046417 where: bonds (distance) C4'-P energy: -6.671 bonds (distance) P-C4' energy: -19.256 flat angles C4'-P-C4' energy: -16.184 flat angles P-C4'-P energy: -5.408 tors. eta vs tors. theta energy: -13.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -290.889056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.889056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.889056 (E_RNA) where: Base-Base interactions energy: -208.877 where: short stacking energy: -92.958 Base-Backbone interact. energy: -1.108 local terms energy: -80.903682 where: bonds (distance) C4'-P energy: -16.375 bonds (distance) P-C4' energy: -20.588 flat angles C4'-P-C4' energy: -20.315 flat angles P-C4'-P energy: -2.183 tors. eta vs tors. theta energy: -21.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -276.149287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.149287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.149287 (E_RNA) where: Base-Base interactions energy: -195.515 where: short stacking energy: -86.450 Base-Backbone interact. energy: 0.053 local terms energy: -80.687276 where: bonds (distance) C4'-P energy: -16.512 bonds (distance) P-C4' energy: -16.356 flat angles C4'-P-C4' energy: -19.294 flat angles P-C4'-P energy: -10.428 tors. eta vs tors. theta energy: -18.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -284.694881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.694881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.694881 (E_RNA) where: Base-Base interactions energy: -199.034 where: short stacking energy: -89.431 Base-Backbone interact. energy: -1.256 local terms energy: -84.404424 where: bonds (distance) C4'-P energy: -18.979 bonds (distance) P-C4' energy: -14.209 flat angles C4'-P-C4' energy: -15.522 flat angles P-C4'-P energy: -11.678 tors. eta vs tors. theta energy: -24.017 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: 6 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -245.386867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.386867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.386867 (E_RNA) where: Base-Base interactions energy: -158.920 where: short stacking energy: -83.367 Base-Backbone interact. energy: -0.259 local terms energy: -86.208464 where: bonds (distance) C4'-P energy: -16.989 bonds (distance) P-C4' energy: -19.010 flat angles C4'-P-C4' energy: -19.660 flat angles P-C4'-P energy: -9.945 tors. eta vs tors. theta energy: -20.604 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: 5, replica: 8 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -221.055131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.055131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.055131 (E_RNA) where: Base-Base interactions energy: -147.295 where: short stacking energy: -71.174 Base-Backbone interact. energy: -0.119 local terms energy: -73.640751 where: bonds (distance) C4'-P energy: -15.291 bonds (distance) P-C4' energy: -18.062 flat angles C4'-P-C4' energy: -15.790 flat angles P-C4'-P energy: -8.282 tors. eta vs tors. theta energy: -16.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -212.634677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.634677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.634677 (E_RNA) where: Base-Base interactions energy: -142.629 where: short stacking energy: -66.043 Base-Backbone interact. energy: -0.037 local terms energy: -69.967927 where: bonds (distance) C4'-P energy: -13.808 bonds (distance) P-C4' energy: -19.236 flat angles C4'-P-C4' energy: -14.446 flat angles P-C4'-P energy: -11.377 tors. eta vs tors. theta energy: -11.101 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: 9 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -220.333719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.333719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.333719 (E_RNA) where: Base-Base interactions energy: -154.301 where: short stacking energy: -74.944 Base-Backbone interact. energy: -0.406 local terms energy: -65.626430 where: bonds (distance) C4'-P energy: -15.489 bonds (distance) P-C4' energy: -14.414 flat angles C4'-P-C4' energy: -16.607 flat angles P-C4'-P energy: -4.807 tors. eta vs tors. theta energy: -14.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -228.904141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.904141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.904141 (E_RNA) where: Base-Base interactions energy: -156.218 where: short stacking energy: -76.935 Base-Backbone interact. energy: -0.454 local terms energy: -72.232132 where: bonds (distance) C4'-P energy: -15.367 bonds (distance) P-C4' energy: -17.632 flat angles C4'-P-C4' energy: -15.218 flat angles P-C4'-P energy: -6.705 tors. eta vs tors. theta energy: -17.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -202.059834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.059834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.059834 (E_RNA) where: Base-Base interactions energy: -138.500 where: short stacking energy: -63.890 Base-Backbone interact. energy: -0.056 local terms energy: -63.504487 where: bonds (distance) C4'-P energy: -9.557 bonds (distance) P-C4' energy: -17.516 flat angles C4'-P-C4' energy: -13.761 flat angles P-C4'-P energy: -9.825 tors. eta vs tors. theta energy: -12.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -211.119584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.119584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.119584 (E_RNA) where: Base-Base interactions energy: -141.296 where: short stacking energy: -63.554 Base-Backbone interact. energy: -1.228 local terms energy: -68.595530 where: bonds (distance) C4'-P energy: -13.179 bonds (distance) P-C4' energy: -14.722 flat angles C4'-P-C4' energy: -17.917 flat angles P-C4'-P energy: -10.981 tors. eta vs tors. theta energy: -11.796 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: 1, replica: 3 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -280.881874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.881874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.881874 (E_RNA) where: Base-Base interactions energy: -201.845 where: short stacking energy: -86.317 Base-Backbone interact. energy: -0.942 local terms energy: -78.094994 where: bonds (distance) C4'-P energy: -14.024 bonds (distance) P-C4' energy: -17.730 flat angles C4'-P-C4' energy: -19.261 flat angles P-C4'-P energy: -7.206 tors. eta vs tors. theta energy: -19.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -286.918238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.918238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.918238 (E_RNA) where: Base-Base interactions energy: -202.255 where: short stacking energy: -88.304 Base-Backbone interact. energy: -0.296 local terms energy: -84.367590 where: bonds (distance) C4'-P energy: -15.357 bonds (distance) P-C4' energy: -16.505 flat angles C4'-P-C4' energy: -16.174 flat angles P-C4'-P energy: -14.599 tors. eta vs tors. theta energy: -21.733 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: 4 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -280.941445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.941445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.941445 (E_RNA) where: Base-Base interactions energy: -190.184 where: short stacking energy: -85.480 Base-Backbone interact. energy: -1.701 local terms energy: -89.056802 where: bonds (distance) C4'-P energy: -13.892 bonds (distance) P-C4' energy: -18.297 flat angles C4'-P-C4' energy: -21.008 flat angles P-C4'-P energy: -12.913 tors. eta vs tors. theta energy: -22.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -235.538136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.538136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.538136 (E_RNA) where: Base-Base interactions energy: -151.974 where: short stacking energy: -77.440 Base-Backbone interact. energy: -0.281 local terms energy: -83.282654 where: bonds (distance) C4'-P energy: -15.742 bonds (distance) P-C4' energy: -17.294 flat angles C4'-P-C4' energy: -20.270 flat angles P-C4'-P energy: -8.247 tors. eta vs tors. theta energy: -21.730 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: 5, replica: 2 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -246.407547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.407547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.407547 (E_RNA) where: Base-Base interactions energy: -162.730 where: short stacking energy: -83.200 Base-Backbone interact. energy: -2.370 local terms energy: -81.307512 where: bonds (distance) C4'-P energy: -16.661 bonds (distance) P-C4' energy: -18.291 flat angles C4'-P-C4' energy: -16.586 flat angles P-C4'-P energy: -14.104 tors. eta vs tors. theta energy: -15.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -226.574384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.574384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.574384 (E_RNA) where: Base-Base interactions energy: -154.837 where: short stacking energy: -72.330 Base-Backbone interact. energy: -0.639 local terms energy: -71.098355 where: bonds (distance) C4'-P energy: -16.223 bonds (distance) P-C4' energy: -12.386 flat angles C4'-P-C4' energy: -15.674 flat angles P-C4'-P energy: -9.500 tors. eta vs tors. theta energy: -17.316 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: 7, replica: 1 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -229.469745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.469745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.469745 (E_RNA) where: Base-Base interactions energy: -156.024 where: short stacking energy: -76.063 Base-Backbone interact. energy: -0.001 local terms energy: -73.445036 where: bonds (distance) C4'-P energy: -13.978 bonds (distance) P-C4' energy: -18.176 flat angles C4'-P-C4' energy: -18.195 flat angles P-C4'-P energy: -3.791 tors. eta vs tors. theta energy: -19.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -207.589056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.589056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.589056 (E_RNA) where: Base-Base interactions energy: -140.487 where: short stacking energy: -71.987 Base-Backbone interact. energy: 0.063 local terms energy: -67.164521 where: bonds (distance) C4'-P energy: -14.823 bonds (distance) P-C4' energy: -9.312 flat angles C4'-P-C4' energy: -14.265 flat angles P-C4'-P energy: -11.639 tors. eta vs tors. theta energy: -17.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -212.068971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.068971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.068971 (E_RNA) where: Base-Base interactions energy: -139.923 where: short stacking energy: -64.989 Base-Backbone interact. energy: -0.006 local terms energy: -72.139654 where: bonds (distance) C4'-P energy: -17.470 bonds (distance) P-C4' energy: -15.411 flat angles C4'-P-C4' energy: -16.810 flat angles P-C4'-P energy: -7.642 tors. eta vs tors. theta energy: -14.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -207.532121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.532121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.532121 (E_RNA) where: Base-Base interactions energy: -138.332 where: short stacking energy: -60.782 Base-Backbone interact. energy: -0.794 local terms energy: -68.405990 where: bonds (distance) C4'-P energy: -13.490 bonds (distance) P-C4' energy: -10.325 flat angles C4'-P-C4' energy: -17.083 flat angles P-C4'-P energy: -14.999 tors. eta vs tors. theta energy: -12.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -288.493125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.493125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.493125 (E_RNA) where: Base-Base interactions energy: -204.405 where: short stacking energy: -90.276 Base-Backbone interact. energy: -0.375 local terms energy: -83.713418 where: bonds (distance) C4'-P energy: -15.001 bonds (distance) P-C4' energy: -16.095 flat angles C4'-P-C4' energy: -19.410 flat angles P-C4'-P energy: -9.953 tors. eta vs tors. theta energy: -23.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -289.187259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.187259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.187259 (E_RNA) where: Base-Base interactions energy: -207.527 where: short stacking energy: -85.049 Base-Backbone interact. energy: -1.162 local terms energy: -80.499128 where: bonds (distance) C4'-P energy: -14.776 bonds (distance) P-C4' energy: -17.733 flat angles C4'-P-C4' energy: -18.126 flat angles P-C4'-P energy: -11.812 tors. eta vs tors. theta energy: -18.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -277.518094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.518094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.518094 (E_RNA) where: Base-Base interactions energy: -190.561 where: short stacking energy: -87.462 Base-Backbone interact. energy: -1.320 local terms energy: -85.637027 where: bonds (distance) C4'-P energy: -17.347 bonds (distance) P-C4' energy: -20.000 flat angles C4'-P-C4' energy: -16.597 flat angles P-C4'-P energy: -7.479 tors. eta vs tors. theta energy: -24.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -251.610505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.610505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.610505 (E_RNA) where: Base-Base interactions energy: -173.578 where: short stacking energy: -83.283 Base-Backbone interact. energy: -1.206 local terms energy: -76.826569 where: bonds (distance) C4'-P energy: -13.325 bonds (distance) P-C4' energy: -18.523 flat angles C4'-P-C4' energy: -18.169 flat angles P-C4'-P energy: -10.378 tors. eta vs tors. theta energy: -16.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -231.160707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.160707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.160707 (E_RNA) where: Base-Base interactions energy: -154.896 where: short stacking energy: -73.632 Base-Backbone interact. energy: 2.101 local terms energy: -78.365454 where: bonds (distance) C4'-P energy: -11.780 bonds (distance) P-C4' energy: -19.147 flat angles C4'-P-C4' energy: -18.074 flat angles P-C4'-P energy: -13.924 tors. eta vs tors. theta energy: -15.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -220.786713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.786713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.786713 (E_RNA) where: Base-Base interactions energy: -156.448 where: short stacking energy: -78.221 Base-Backbone interact. energy: -0.651 local terms energy: -63.687796 where: bonds (distance) C4'-P energy: -13.579 bonds (distance) P-C4' energy: -12.769 flat angles C4'-P-C4' energy: -13.732 flat angles P-C4'-P energy: -6.494 tors. eta vs tors. theta energy: -17.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -221.145891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.145891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.145891 (E_RNA) where: Base-Base interactions energy: -149.389 where: short stacking energy: -72.849 Base-Backbone interact. energy: -0.007 local terms energy: -71.749470 where: bonds (distance) C4'-P energy: -12.190 bonds (distance) P-C4' energy: -19.034 flat angles C4'-P-C4' energy: -13.037 flat angles P-C4'-P energy: -12.063 tors. eta vs tors. theta energy: -15.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -199.842775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.842775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.842775 (E_RNA) where: Base-Base interactions energy: -135.035 where: short stacking energy: -75.793 Base-Backbone interact. energy: -0.218 local terms energy: -64.590421 where: bonds (distance) C4'-P energy: -9.926 bonds (distance) P-C4' energy: -13.367 flat angles C4'-P-C4' energy: -13.775 flat angles P-C4'-P energy: -8.828 tors. eta vs tors. theta energy: -18.693 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: 9, replica: 10 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -198.907577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.907577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.907577 (E_RNA) where: Base-Base interactions energy: -139.837 where: short stacking energy: -61.300 Base-Backbone interact. energy: -0.016 local terms energy: -59.054862 where: bonds (distance) C4'-P energy: -12.762 bonds (distance) P-C4' energy: -6.245 flat angles C4'-P-C4' energy: -15.742 flat angles P-C4'-P energy: -8.515 tors. eta vs tors. theta energy: -15.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -208.615271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.615271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.615271 (E_RNA) where: Base-Base interactions energy: -142.072 where: short stacking energy: -66.476 Base-Backbone interact. energy: -0.162 local terms energy: -66.381693 where: bonds (distance) C4'-P energy: -13.357 bonds (distance) P-C4' energy: -19.119 flat angles C4'-P-C4' energy: -14.173 flat angles P-C4'-P energy: -5.548 tors. eta vs tors. theta energy: -14.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -286.033088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.033088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.033088 (E_RNA) where: Base-Base interactions energy: -197.394 where: short stacking energy: -94.595 Base-Backbone interact. energy: 0.488 local terms energy: -89.127321 where: bonds (distance) C4'-P energy: -18.809 bonds (distance) P-C4' energy: -18.218 flat angles C4'-P-C4' energy: -20.767 flat angles P-C4'-P energy: -11.905 tors. eta vs tors. theta energy: -19.428 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: 7 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -284.318199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.318199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.318199 (E_RNA) where: Base-Base interactions energy: -201.727 where: short stacking energy: -83.426 Base-Backbone interact. energy: 0.325 local terms energy: -82.915941 where: bonds (distance) C4'-P energy: -14.017 bonds (distance) P-C4' energy: -18.567 flat angles C4'-P-C4' energy: -18.588 flat angles P-C4'-P energy: -11.387 tors. eta vs tors. theta energy: -20.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -278.033864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.033864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.033864 (E_RNA) where: Base-Base interactions energy: -187.037 where: short stacking energy: -73.041 Base-Backbone interact. energy: -2.719 local terms energy: -88.277582 where: bonds (distance) C4'-P energy: -16.405 bonds (distance) P-C4' energy: -20.445 flat angles C4'-P-C4' energy: -16.138 flat angles P-C4'-P energy: -14.957 tors. eta vs tors. theta energy: -20.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -255.186251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.186251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.186251 (E_RNA) where: Base-Base interactions energy: -180.266 where: short stacking energy: -83.875 Base-Backbone interact. energy: -0.176 local terms energy: -74.744679 where: bonds (distance) C4'-P energy: -12.737 bonds (distance) P-C4' energy: -19.445 flat angles C4'-P-C4' energy: -17.394 flat angles P-C4'-P energy: -7.951 tors. eta vs tors. theta energy: -17.217 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: 8 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -229.820083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.820083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.820083 (E_RNA) where: Base-Base interactions energy: -150.428 where: short stacking energy: -71.895 Base-Backbone interact. energy: 0.845 local terms energy: -80.237299 where: bonds (distance) C4'-P energy: -17.196 bonds (distance) P-C4' energy: -18.191 flat angles C4'-P-C4' energy: -17.923 flat angles P-C4'-P energy: -6.704 tors. eta vs tors. theta energy: -20.224 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: 6, replica: 6 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -239.562385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.562385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.562385 (E_RNA) where: Base-Base interactions energy: -156.880 where: short stacking energy: -74.017 Base-Backbone interact. energy: -0.009 local terms energy: -82.672908 where: bonds (distance) C4'-P energy: -15.470 bonds (distance) P-C4' energy: -18.309 flat angles C4'-P-C4' energy: -19.511 flat angles P-C4'-P energy: -7.602 tors. eta vs tors. theta energy: -21.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -212.114258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.114258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.114258 (E_RNA) where: Base-Base interactions energy: -140.921 where: short stacking energy: -63.092 Base-Backbone interact. energy: -0.234 local terms energy: -70.960062 where: bonds (distance) C4'-P energy: -9.176 bonds (distance) P-C4' energy: -17.389 flat angles C4'-P-C4' energy: -17.076 flat angles P-C4'-P energy: -13.868 tors. eta vs tors. theta energy: -13.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -216.172972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.172972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.172972 (E_RNA) where: Base-Base interactions energy: -146.140 where: short stacking energy: -68.753 Base-Backbone interact. energy: -0.019 local terms energy: -70.013536 where: bonds (distance) C4'-P energy: -15.606 bonds (distance) P-C4' energy: -11.805 flat angles C4'-P-C4' energy: -16.353 flat angles P-C4'-P energy: -7.780 tors. eta vs tors. theta energy: -18.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -208.528446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.528446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.528446 (E_RNA) where: Base-Base interactions energy: -140.493 where: short stacking energy: -68.565 Base-Backbone interact. energy: -0.580 local terms energy: -67.455016 where: bonds (distance) C4'-P energy: -15.227 bonds (distance) P-C4' energy: -14.119 flat angles C4'-P-C4' energy: -15.958 flat angles P-C4'-P energy: -7.186 tors. eta vs tors. theta energy: -14.965 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: 10 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -199.109202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.109202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.109202 (E_RNA) where: Base-Base interactions energy: -126.545 where: short stacking energy: -56.096 Base-Backbone interact. energy: -0.060 local terms energy: -72.503448 where: bonds (distance) C4'-P energy: -13.906 bonds (distance) P-C4' energy: -16.439 flat angles C4'-P-C4' energy: -15.866 flat angles P-C4'-P energy: -12.952 tors. eta vs tors. theta energy: -13.340 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: 1, replica: 3 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -291.864609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.864609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.864609 (E_RNA) where: Base-Base interactions energy: -209.634 where: short stacking energy: -85.812 Base-Backbone interact. energy: -1.352 local terms energy: -80.878612 where: bonds (distance) C4'-P energy: -16.876 bonds (distance) P-C4' energy: -15.253 flat angles C4'-P-C4' energy: -19.004 flat angles P-C4'-P energy: -10.248 tors. eta vs tors. theta energy: -19.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -282.021370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.021370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.021370 (E_RNA) where: Base-Base interactions energy: -197.592 where: short stacking energy: -86.277 Base-Backbone interact. energy: -1.976 local terms energy: -82.453588 where: bonds (distance) C4'-P energy: -18.561 bonds (distance) P-C4' energy: -16.448 flat angles C4'-P-C4' energy: -19.150 flat angles P-C4'-P energy: -10.257 tors. eta vs tors. theta energy: -18.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -275.825113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.825113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.825113 (E_RNA) where: Base-Base interactions energy: -191.560 where: short stacking energy: -85.753 Base-Backbone interact. energy: -0.889 local terms energy: -83.376670 where: bonds (distance) C4'-P energy: -16.331 bonds (distance) P-C4' energy: -18.188 flat angles C4'-P-C4' energy: -18.001 flat angles P-C4'-P energy: -8.340 tors. eta vs tors. theta energy: -22.517 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: 169 Temperature: 1.050000 Total energy: -226.930634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.930634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.930634 (E_RNA) where: Base-Base interactions energy: -151.636 where: short stacking energy: -73.257 Base-Backbone interact. energy: 0.342 local terms energy: -75.636641 where: bonds (distance) C4'-P energy: -16.397 bonds (distance) P-C4' energy: -17.925 flat angles C4'-P-C4' energy: -16.384 flat angles P-C4'-P energy: -7.916 tors. eta vs tors. theta energy: -17.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -228.071276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.071276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.071276 (E_RNA) where: Base-Base interactions energy: -159.853 where: short stacking energy: -72.091 Base-Backbone interact. energy: -0.767 local terms energy: -67.451439 where: bonds (distance) C4'-P energy: -12.044 bonds (distance) P-C4' energy: -16.214 flat angles C4'-P-C4' energy: -14.265 flat angles P-C4'-P energy: -6.794 tors. eta vs tors. theta energy: -18.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -231.441437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.441437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.441437 (E_RNA) where: Base-Base interactions energy: -157.114 where: short stacking energy: -80.202 Base-Backbone interact. energy: -0.272 local terms energy: -74.054779 where: bonds (distance) C4'-P energy: -15.978 bonds (distance) P-C4' energy: -12.281 flat angles C4'-P-C4' energy: -16.604 flat angles P-C4'-P energy: -11.192 tors. eta vs tors. theta energy: -18.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -202.776246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.776246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.776246 (E_RNA) where: Base-Base interactions energy: -143.996 where: short stacking energy: -67.684 Base-Backbone interact. energy: -0.035 local terms energy: -58.745136 where: bonds (distance) C4'-P energy: -8.902 bonds (distance) P-C4' energy: -12.913 flat angles C4'-P-C4' energy: -14.687 flat angles P-C4'-P energy: -10.116 tors. eta vs tors. theta energy: -12.127 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: 9 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -206.193778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.193778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.193778 (E_RNA) where: Base-Base interactions energy: -134.645 where: short stacking energy: -60.177 Base-Backbone interact. energy: 1.700 local terms energy: -73.248822 where: bonds (distance) C4'-P energy: -15.800 bonds (distance) P-C4' energy: -18.847 flat angles C4'-P-C4' energy: -13.240 flat angles P-C4'-P energy: -10.020 tors. eta vs tors. theta energy: -15.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -215.053773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.053773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.053773 (E_RNA) where: Base-Base interactions energy: -133.860 where: short stacking energy: -71.805 Base-Backbone interact. energy: 0.377 local terms energy: -81.570609 where: bonds (distance) C4'-P energy: -20.114 bonds (distance) P-C4' energy: -13.338 flat angles C4'-P-C4' energy: -18.078 flat angles P-C4'-P energy: -13.847 tors. eta vs tors. theta energy: -16.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -190.230583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.230583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.230583 (E_RNA) where: Base-Base interactions energy: -119.449 where: short stacking energy: -49.410 Base-Backbone interact. energy: -0.067 local terms energy: -70.714448 where: bonds (distance) C4'-P energy: -18.421 bonds (distance) P-C4' energy: -17.466 flat angles C4'-P-C4' energy: -17.815 flat angles P-C4'-P energy: -5.508 tors. eta vs tors. theta energy: -11.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -283.749039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.749039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.749039 (E_RNA) where: Base-Base interactions energy: -203.178 where: short stacking energy: -90.591 Base-Backbone interact. energy: -0.654 local terms energy: -79.916801 where: bonds (distance) C4'-P energy: -14.124 bonds (distance) P-C4' energy: -18.038 flat angles C4'-P-C4' energy: -17.248 flat angles P-C4'-P energy: -9.081 tors. eta vs tors. theta energy: -21.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -293.276938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.276938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.276938 (E_RNA) where: Base-Base interactions energy: -211.375 where: short stacking energy: -93.525 Base-Backbone interact. energy: -0.627 local terms energy: -81.274436 where: bonds (distance) C4'-P energy: -14.057 bonds (distance) P-C4' energy: -17.868 flat angles C4'-P-C4' energy: -18.723 flat angles P-C4'-P energy: -6.661 tors. eta vs tors. theta energy: -23.966 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: 7 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -275.718526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.718526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.718526 (E_RNA) where: Base-Base interactions energy: -199.078 where: short stacking energy: -85.880 Base-Backbone interact. energy: -0.394 local terms energy: -76.246520 where: bonds (distance) C4'-P energy: -15.109 bonds (distance) P-C4' energy: -14.482 flat angles C4'-P-C4' energy: -15.916 flat angles P-C4'-P energy: -12.374 tors. eta vs tors. theta energy: -18.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -220.635677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.635677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.635677 (E_RNA) where: Base-Base interactions energy: -149.803 where: short stacking energy: -72.604 Base-Backbone interact. energy: -0.002 local terms energy: -70.830648 where: bonds (distance) C4'-P energy: -17.262 bonds (distance) P-C4' energy: -15.036 flat angles C4'-P-C4' energy: -14.785 flat angles P-C4'-P energy: -10.109 tors. eta vs tors. theta energy: -13.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -240.280368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.280368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.280368 (E_RNA) where: Base-Base interactions energy: -155.256 where: short stacking energy: -76.917 Base-Backbone interact. energy: -0.113 local terms energy: -84.912122 where: bonds (distance) C4'-P energy: -18.661 bonds (distance) P-C4' energy: -17.336 flat angles C4'-P-C4' energy: -18.395 flat angles P-C4'-P energy: -11.798 tors. eta vs tors. theta energy: -18.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -222.550948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.550948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.550948 (E_RNA) where: Base-Base interactions energy: -152.992 where: short stacking energy: -76.482 Base-Backbone interact. energy: -0.053 local terms energy: -69.506338 where: bonds (distance) C4'-P energy: -16.327 bonds (distance) P-C4' energy: -14.874 flat angles C4'-P-C4' energy: -15.121 flat angles P-C4'-P energy: -4.018 tors. eta vs tors. theta energy: -19.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -211.562548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.562548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.562548 (E_RNA) where: Base-Base interactions energy: -145.913 where: short stacking energy: -68.960 Base-Backbone interact. energy: 1.049 local terms energy: -66.697941 where: bonds (distance) C4'-P energy: -11.273 bonds (distance) P-C4' energy: -14.629 flat angles C4'-P-C4' energy: -12.874 flat angles P-C4'-P energy: -13.515 tors. eta vs tors. theta energy: -14.407 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: 170 Temperature: 1.250000 Total energy: -197.253942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.253942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.253942 (E_RNA) where: Base-Base interactions energy: -122.450 where: short stacking energy: -47.871 Base-Backbone interact. energy: -0.680 local terms energy: -74.123919 where: bonds (distance) C4'-P energy: -14.700 bonds (distance) P-C4' energy: -18.647 flat angles C4'-P-C4' energy: -16.590 flat angles P-C4'-P energy: -11.500 tors. eta vs tors. theta energy: -12.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -215.283211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.283211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.283211 (E_RNA) where: Base-Base interactions energy: -147.662 where: short stacking energy: -68.531 Base-Backbone interact. energy: -0.164 local terms energy: -67.457328 where: bonds (distance) C4'-P energy: -14.136 bonds (distance) P-C4' energy: -13.361 flat angles C4'-P-C4' energy: -14.585 flat angles P-C4'-P energy: -9.334 tors. eta vs tors. theta energy: -16.041 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: 10, replica: 5 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -194.052111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.052111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.052111 (E_RNA) where: Base-Base interactions energy: -133.219 where: short stacking energy: -60.606 Base-Backbone interact. energy: 3.621 local terms energy: -64.454041 where: bonds (distance) C4'-P energy: -14.554 bonds (distance) P-C4' energy: -18.562 flat angles C4'-P-C4' energy: -14.743 flat angles P-C4'-P energy: -8.953 tors. eta vs tors. theta energy: -7.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -284.174945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.174945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.174945 (E_RNA) where: Base-Base interactions energy: -200.262 where: short stacking energy: -93.237 Base-Backbone interact. energy: -0.411 local terms energy: -83.502385 where: bonds (distance) C4'-P energy: -18.587 bonds (distance) P-C4' energy: -17.258 flat angles C4'-P-C4' energy: -17.337 flat angles P-C4'-P energy: -6.763 tors. eta vs tors. theta energy: -23.557 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: 7 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -277.802055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.802055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.802055 (E_RNA) where: Base-Base interactions energy: -201.008 where: short stacking energy: -86.550 Base-Backbone interact. energy: -2.681 local terms energy: -74.112798 where: bonds (distance) C4'-P energy: -13.978 bonds (distance) P-C4' energy: -13.074 flat angles C4'-P-C4' energy: -17.882 flat angles P-C4'-P energy: -7.456 tors. eta vs tors. theta energy: -21.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -294.394858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.394858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.394858 (E_RNA) where: Base-Base interactions energy: -205.008 where: short stacking energy: -91.363 Base-Backbone interact. energy: -0.296 local terms energy: -89.091093 where: bonds (distance) C4'-P energy: -14.141 bonds (distance) P-C4' energy: -19.233 flat angles C4'-P-C4' energy: -20.104 flat angles P-C4'-P energy: -12.883 tors. eta vs tors. theta energy: -22.729 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: 2 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -243.246521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.246521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.246521 (E_RNA) where: Base-Base interactions energy: -169.990 where: short stacking energy: -87.580 Base-Backbone interact. energy: -0.062 local terms energy: -73.194606 where: bonds (distance) C4'-P energy: -15.040 bonds (distance) P-C4' energy: -9.412 flat angles C4'-P-C4' energy: -16.916 flat angles P-C4'-P energy: -13.196 tors. eta vs tors. theta energy: -18.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -220.676335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.676335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.676335 (E_RNA) where: Base-Base interactions energy: -150.563 where: short stacking energy: -71.673 Base-Backbone interact. energy: 0.175 local terms energy: -70.288196 where: bonds (distance) C4'-P energy: -12.923 bonds (distance) P-C4' energy: -16.076 flat angles C4'-P-C4' energy: -15.311 flat angles P-C4'-P energy: -9.760 tors. eta vs tors. theta energy: -16.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -215.814097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.814097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.814097 (E_RNA) where: Base-Base interactions energy: -141.984 where: short stacking energy: -62.814 Base-Backbone interact. energy: -0.158 local terms energy: -73.672171 where: bonds (distance) C4'-P energy: -13.486 bonds (distance) P-C4' energy: -20.147 flat angles C4'-P-C4' energy: -15.379 flat angles P-C4'-P energy: -5.968 tors. eta vs tors. theta energy: -18.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -209.242924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.242924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.242924 (E_RNA) where: Base-Base interactions energy: -139.145 where: short stacking energy: -60.600 Base-Backbone interact. energy: -0.160 local terms energy: -69.937574 where: bonds (distance) C4'-P energy: -13.743 bonds (distance) P-C4' energy: -17.709 flat angles C4'-P-C4' energy: -16.931 flat angles P-C4'-P energy: -7.748 tors. eta vs tors. theta energy: -13.806 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: 10 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -207.668197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.668197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.668197 (E_RNA) where: Base-Base interactions energy: -141.643 where: short stacking energy: -72.700 Base-Backbone interact. energy: 0.420 local terms energy: -66.445642 where: bonds (distance) C4'-P energy: -13.557 bonds (distance) P-C4' energy: -14.168 flat angles C4'-P-C4' energy: -13.491 flat angles P-C4'-P energy: -11.375 tors. eta vs tors. theta energy: -13.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -190.384769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.384769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.384769 (E_RNA) where: Base-Base interactions energy: -123.582 where: short stacking energy: -59.699 Base-Backbone interact. energy: -0.225 local terms energy: -66.578068 where: bonds (distance) C4'-P energy: -13.198 bonds (distance) P-C4' energy: -18.331 flat angles C4'-P-C4' energy: -15.379 flat angles P-C4'-P energy: -8.130 tors. eta vs tors. theta energy: -11.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -193.090372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.090372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.090372 (E_RNA) where: Base-Base interactions energy: -131.230 where: short stacking energy: -58.576 Base-Backbone interact. energy: -0.156 local terms energy: -61.704975 where: bonds (distance) C4'-P energy: -12.814 bonds (distance) P-C4' energy: -12.821 flat angles C4'-P-C4' energy: -16.619 flat angles P-C4'-P energy: -7.212 tors. eta vs tors. theta energy: -12.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -286.477574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.477574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.477574 (E_RNA) where: Base-Base interactions energy: -205.367 where: short stacking energy: -88.503 Base-Backbone interact. energy: -0.993 local terms energy: -80.116971 where: bonds (distance) C4'-P energy: -17.602 bonds (distance) P-C4' energy: -12.747 flat angles C4'-P-C4' energy: -17.007 flat angles P-C4'-P energy: -11.264 tors. eta vs tors. theta energy: -21.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -281.112649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.112649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.112649 (E_RNA) where: Base-Base interactions energy: -196.168 where: short stacking energy: -86.785 Base-Backbone interact. energy: -0.922 local terms energy: -84.023156 where: bonds (distance) C4'-P energy: -17.903 bonds (distance) P-C4' energy: -19.091 flat angles C4'-P-C4' energy: -17.340 flat angles P-C4'-P energy: -8.023 tors. eta vs tors. theta energy: -21.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -286.283168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.283168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.283168 (E_RNA) where: Base-Base interactions energy: -194.798 where: short stacking energy: -85.562 Base-Backbone interact. energy: -2.054 local terms energy: -89.431099 where: bonds (distance) C4'-P energy: -16.513 bonds (distance) P-C4' energy: -19.277 flat angles C4'-P-C4' energy: -19.136 flat angles P-C4'-P energy: -11.049 tors. eta vs tors. theta energy: -23.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -239.822759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.822759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.822759 (E_RNA) where: Base-Base interactions energy: -168.989 where: short stacking energy: -75.788 Base-Backbone interact. energy: -0.048 local terms energy: -70.785293 where: bonds (distance) C4'-P energy: -15.312 bonds (distance) P-C4' energy: -17.881 flat angles C4'-P-C4' energy: -12.793 flat angles P-C4'-P energy: -8.461 tors. eta vs tors. theta energy: -16.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -230.930426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.930426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.930426 (E_RNA) where: Base-Base interactions energy: -150.249 where: short stacking energy: -75.945 Base-Backbone interact. energy: -0.810 local terms energy: -79.872141 where: bonds (distance) C4'-P energy: -15.360 bonds (distance) P-C4' energy: -17.917 flat angles C4'-P-C4' energy: -16.280 flat angles P-C4'-P energy: -11.436 tors. eta vs tors. theta energy: -18.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -218.308117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.308117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.308117 (E_RNA) where: Base-Base interactions energy: -148.327 where: short stacking energy: -68.490 Base-Backbone interact. energy: -1.336 local terms energy: -68.645104 where: bonds (distance) C4'-P energy: -12.474 bonds (distance) P-C4' energy: -19.133 flat angles C4'-P-C4' energy: -17.679 flat angles P-C4'-P energy: -10.147 tors. eta vs tors. theta energy: -9.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -218.726787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.726787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.726787 (E_RNA) where: Base-Base interactions energy: -145.374 where: short stacking energy: -71.724 Base-Backbone interact. energy: -0.007 local terms energy: -73.345834 where: bonds (distance) C4'-P energy: -15.245 bonds (distance) P-C4' energy: -15.589 flat angles C4'-P-C4' energy: -16.273 flat angles P-C4'-P energy: -6.952 tors. eta vs tors. theta energy: -19.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -212.224559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.224559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.224559 (E_RNA) where: Base-Base interactions energy: -134.069 where: short stacking energy: -53.686 Base-Backbone interact. energy: -1.492 local terms energy: -76.663650 where: bonds (distance) C4'-P energy: -16.318 bonds (distance) P-C4' energy: -17.784 flat angles C4'-P-C4' energy: -19.056 flat angles P-C4'-P energy: -11.860 tors. eta vs tors. theta energy: -11.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -199.344348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.344348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.344348 (E_RNA) where: Base-Base interactions energy: -130.953 where: short stacking energy: -55.802 Base-Backbone interact. energy: 1.082 local terms energy: -69.473254 where: bonds (distance) C4'-P energy: -19.468 bonds (distance) P-C4' energy: -13.959 flat angles C4'-P-C4' energy: -16.476 flat angles P-C4'-P energy: -9.254 tors. eta vs tors. theta energy: -10.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -184.350184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.350184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.350184 (E_RNA) where: Base-Base interactions energy: -127.329 where: short stacking energy: -58.827 Base-Backbone interact. energy: 2.101 local terms energy: -59.122304 where: bonds (distance) C4'-P energy: -9.818 bonds (distance) P-C4' energy: -17.100 flat angles C4'-P-C4' energy: -13.315 flat angles P-C4'-P energy: -10.563 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: 1, replica: 7 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -286.203667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.203667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.203667 (E_RNA) where: Base-Base interactions energy: -193.587 where: short stacking energy: -81.887 Base-Backbone interact. energy: -1.616 local terms energy: -91.000448 where: bonds (distance) C4'-P energy: -17.652 bonds (distance) P-C4' energy: -20.193 flat angles C4'-P-C4' energy: -18.889 flat angles P-C4'-P energy: -13.271 tors. eta vs tors. theta energy: -20.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -289.127026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.127026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.127026 (E_RNA) where: Base-Base interactions energy: -204.328 where: short stacking energy: -82.340 Base-Backbone interact. energy: -0.938 local terms energy: -83.861437 where: bonds (distance) C4'-P energy: -17.163 bonds (distance) P-C4' energy: -16.187 flat angles C4'-P-C4' energy: -19.617 flat angles P-C4'-P energy: -6.648 tors. eta vs tors. theta energy: -24.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -259.833850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.833850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.833850 (E_RNA) where: Base-Base interactions energy: -183.467 where: short stacking energy: -85.667 Base-Backbone interact. energy: -1.058 local terms energy: -75.308930 where: bonds (distance) C4'-P energy: -8.848 bonds (distance) P-C4' energy: -15.276 flat angles C4'-P-C4' energy: -15.059 flat angles P-C4'-P energy: -13.181 tors. eta vs tors. theta energy: -22.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -259.145358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.145358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.145358 (E_RNA) where: Base-Base interactions energy: -177.734 where: short stacking energy: -82.412 Base-Backbone interact. energy: -1.321 local terms energy: -80.090351 where: bonds (distance) C4'-P energy: -15.531 bonds (distance) P-C4' energy: -17.281 flat angles C4'-P-C4' energy: -16.875 flat angles P-C4'-P energy: -11.559 tors. eta vs tors. theta energy: -18.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -236.127157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.127157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.127157 (E_RNA) where: Base-Base interactions energy: -160.106 where: short stacking energy: -80.116 Base-Backbone interact. energy: -1.259 local terms energy: -74.762274 where: bonds (distance) C4'-P energy: -14.229 bonds (distance) P-C4' energy: -17.699 flat angles C4'-P-C4' energy: -15.408 flat angles P-C4'-P energy: -8.991 tors. eta vs tors. theta energy: -18.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -222.453332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.453332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.453332 (E_RNA) where: Base-Base interactions energy: -154.644 where: short stacking energy: -75.644 Base-Backbone interact. energy: -0.723 local terms energy: -67.085475 where: bonds (distance) C4'-P energy: -16.786 bonds (distance) P-C4' energy: -14.071 flat angles C4'-P-C4' energy: -14.869 flat angles P-C4'-P energy: -5.845 tors. eta vs tors. theta energy: -15.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -221.399452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.399452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.399452 (E_RNA) where: Base-Base interactions energy: -145.225 where: short stacking energy: -70.270 Base-Backbone interact. energy: -0.210 local terms energy: -75.964661 where: bonds (distance) C4'-P energy: -17.130 bonds (distance) P-C4' energy: -18.291 flat angles C4'-P-C4' energy: -15.546 flat angles P-C4'-P energy: -7.506 tors. eta vs tors. theta energy: -17.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -205.218252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.218252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.218252 (E_RNA) where: Base-Base interactions energy: -135.557 where: short stacking energy: -57.664 Base-Backbone interact. energy: 0.247 local terms energy: -69.907819 where: bonds (distance) C4'-P energy: -16.032 bonds (distance) P-C4' energy: -14.814 flat angles C4'-P-C4' energy: -12.829 flat angles P-C4'-P energy: -8.687 tors. eta vs tors. theta energy: -17.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -203.973258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.973258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.973258 (E_RNA) where: Base-Base interactions energy: -133.229 where: short stacking energy: -62.456 Base-Backbone interact. energy: 2.409 local terms energy: -73.153610 where: bonds (distance) C4'-P energy: -12.566 bonds (distance) P-C4' energy: -18.231 flat angles C4'-P-C4' energy: -15.322 flat angles P-C4'-P energy: -11.443 tors. eta vs tors. theta energy: -15.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -195.193704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.193704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.193704 (E_RNA) where: Base-Base interactions energy: -140.648 where: short stacking energy: -55.752 Base-Backbone interact. energy: -0.044 local terms energy: -54.501064 where: bonds (distance) C4'-P energy: -7.880 bonds (distance) P-C4' energy: -14.884 flat angles C4'-P-C4' energy: -8.680 flat angles P-C4'-P energy: -7.407 tors. eta vs tors. theta energy: -15.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -292.700109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.700109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.700109 (E_RNA) where: Base-Base interactions energy: -215.622 where: short stacking energy: -96.611 Base-Backbone interact. energy: -1.492 local terms energy: -75.586442 where: bonds (distance) C4'-P energy: -13.731 bonds (distance) P-C4' energy: -16.141 flat angles C4'-P-C4' energy: -15.623 flat angles P-C4'-P energy: -10.733 tors. eta vs tors. theta energy: -19.358 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: 7 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -280.856950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.856950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.856950 (E_RNA) where: Base-Base interactions energy: -198.096 where: short stacking energy: -89.127 Base-Backbone interact. energy: -1.687 local terms energy: -81.073569 where: bonds (distance) C4'-P energy: -15.444 bonds (distance) P-C4' energy: -15.673 flat angles C4'-P-C4' energy: -19.056 flat angles P-C4'-P energy: -10.555 tors. eta vs tors. theta energy: -20.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -268.606027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.606027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.606027 (E_RNA) where: Base-Base interactions energy: -191.051 where: short stacking energy: -75.024 Base-Backbone interact. energy: -1.708 local terms energy: -75.847280 where: bonds (distance) C4'-P energy: -17.018 bonds (distance) P-C4' energy: -16.887 flat angles C4'-P-C4' energy: -13.134 flat angles P-C4'-P energy: -12.425 tors. eta vs tors. theta energy: -16.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -265.307832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.307832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.307832 (E_RNA) where: Base-Base interactions energy: -181.958 where: short stacking energy: -75.305 Base-Backbone interact. energy: -0.364 local terms energy: -82.985720 where: bonds (distance) C4'-P energy: -17.751 bonds (distance) P-C4' energy: -19.219 flat angles C4'-P-C4' energy: -17.055 flat angles P-C4'-P energy: -8.390 tors. eta vs tors. theta energy: -20.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -236.170019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.170019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.170019 (E_RNA) where: Base-Base interactions energy: -159.640 where: short stacking energy: -83.657 Base-Backbone interact. energy: -0.038 local terms energy: -76.492567 where: bonds (distance) C4'-P energy: -14.356 bonds (distance) P-C4' energy: -12.339 flat angles C4'-P-C4' energy: -18.329 flat angles P-C4'-P energy: -11.751 tors. eta vs tors. theta energy: -19.717 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: 6, replica: 9 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -221.855230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.855230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.855230 (E_RNA) where: Base-Base interactions energy: -148.418 where: short stacking energy: -66.857 Base-Backbone interact. energy: -0.594 local terms energy: -72.843135 where: bonds (distance) C4'-P energy: -15.250 bonds (distance) P-C4' energy: -15.397 flat angles C4'-P-C4' energy: -19.734 flat angles P-C4'-P energy: -10.939 tors. eta vs tors. theta energy: -11.524 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: 6 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -210.620427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.620427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.620427 (E_RNA) where: Base-Base interactions energy: -135.091 where: short stacking energy: -65.905 Base-Backbone interact. energy: -0.005 local terms energy: -75.524793 where: bonds (distance) C4'-P energy: -11.664 bonds (distance) P-C4' energy: -17.040 flat angles C4'-P-C4' energy: -16.768 flat angles P-C4'-P energy: -12.826 tors. eta vs tors. theta energy: -17.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -208.771721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.771721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.771721 (E_RNA) where: Base-Base interactions energy: -146.727 where: short stacking energy: -63.414 Base-Backbone interact. energy: -0.055 local terms energy: -61.989592 where: bonds (distance) C4'-P energy: -13.375 bonds (distance) P-C4' energy: -13.556 flat angles C4'-P-C4' energy: -13.323 flat angles P-C4'-P energy: -6.790 tors. eta vs tors. theta energy: -14.945 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: 1 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -204.892353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.892353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.892353 (E_RNA) where: Base-Base interactions energy: -141.863 where: short stacking energy: -67.187 Base-Backbone interact. energy: -0.135 local terms energy: -62.894005 where: bonds (distance) C4'-P energy: -15.440 bonds (distance) P-C4' energy: -13.293 flat angles C4'-P-C4' energy: -15.947 flat angles P-C4'-P energy: -5.196 tors. eta vs tors. theta energy: -13.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -194.538499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.538499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.538499 (E_RNA) where: Base-Base interactions energy: -121.399 where: short stacking energy: -48.992 Base-Backbone interact. energy: -0.033 local terms energy: -73.106360 where: bonds (distance) C4'-P energy: -11.168 bonds (distance) P-C4' energy: -19.361 flat angles C4'-P-C4' energy: -19.999 flat angles P-C4'-P energy: -13.996 tors. eta vs tors. theta energy: -8.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -290.562502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.562502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.562502 (E_RNA) where: Base-Base interactions energy: -206.222 where: short stacking energy: -84.734 Base-Backbone interact. energy: -0.185 local terms energy: -84.155440 where: bonds (distance) C4'-P energy: -14.683 bonds (distance) P-C4' energy: -18.790 flat angles C4'-P-C4' energy: -17.827 flat angles P-C4'-P energy: -13.612 tors. eta vs tors. theta energy: -19.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -281.217352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.217352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.217352 (E_RNA) where: Base-Base interactions energy: -198.096 where: short stacking energy: -94.155 Base-Backbone interact. energy: -0.318 local terms energy: -82.803373 where: bonds (distance) C4'-P energy: -15.867 bonds (distance) P-C4' energy: -18.998 flat angles C4'-P-C4' energy: -13.555 flat angles P-C4'-P energy: -12.172 tors. eta vs tors. theta energy: -22.211 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: 7 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -271.828496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.828496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.828496 (E_RNA) where: Base-Base interactions energy: -192.744 where: short stacking energy: -88.890 Base-Backbone interact. energy: -3.266 local terms energy: -75.818489 where: bonds (distance) C4'-P energy: -15.413 bonds (distance) P-C4' energy: -14.380 flat angles C4'-P-C4' energy: -17.907 flat angles P-C4'-P energy: -9.040 tors. eta vs tors. theta energy: -19.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -255.964007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.964007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.964007 (E_RNA) where: Base-Base interactions energy: -175.793 where: short stacking energy: -75.153 Base-Backbone interact. energy: -0.097 local terms energy: -80.074280 where: bonds (distance) C4'-P energy: -16.861 bonds (distance) P-C4' energy: -15.026 flat angles C4'-P-C4' energy: -19.667 flat angles P-C4'-P energy: -9.321 tors. eta vs tors. theta energy: -19.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -235.452428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.452428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.452428 (E_RNA) where: Base-Base interactions energy: -159.206 where: short stacking energy: -76.323 Base-Backbone interact. energy: -0.183 local terms energy: -76.064293 where: bonds (distance) C4'-P energy: -15.110 bonds (distance) P-C4' energy: -15.012 flat angles C4'-P-C4' energy: -18.024 flat angles P-C4'-P energy: -10.890 tors. eta vs tors. theta energy: -17.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -226.931389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.931389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.931389 (E_RNA) where: Base-Base interactions energy: -161.405 where: short stacking energy: -76.983 Base-Backbone interact. energy: 0.469 local terms energy: -65.995358 where: bonds (distance) C4'-P energy: -11.321 bonds (distance) P-C4' energy: -15.551 flat angles C4'-P-C4' energy: -15.016 flat angles P-C4'-P energy: -8.164 tors. eta vs tors. theta energy: -15.943 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: 6 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -243.759702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.759702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.759702 (E_RNA) where: Base-Base interactions energy: -159.929 where: short stacking energy: -82.093 Base-Backbone interact. energy: -0.636 local terms energy: -83.195234 where: bonds (distance) C4'-P energy: -12.166 bonds (distance) P-C4' energy: -19.019 flat angles C4'-P-C4' energy: -19.862 flat angles P-C4'-P energy: -7.308 tors. eta vs tors. theta energy: -24.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -209.395444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.395444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.395444 (E_RNA) where: Base-Base interactions energy: -140.803 where: short stacking energy: -62.874 Base-Backbone interact. energy: 0.190 local terms energy: -68.781993 where: bonds (distance) C4'-P energy: -16.805 bonds (distance) P-C4' energy: -15.532 flat angles C4'-P-C4' energy: -12.432 flat angles P-C4'-P energy: -4.831 tors. eta vs tors. theta energy: -19.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -210.157889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.157889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.157889 (E_RNA) where: Base-Base interactions energy: -146.291 where: short stacking energy: -69.633 Base-Backbone interact. energy: 0.467 local terms energy: -64.334000 where: bonds (distance) C4'-P energy: -10.154 bonds (distance) P-C4' energy: -11.356 flat angles C4'-P-C4' energy: -14.775 flat angles P-C4'-P energy: -8.978 tors. eta vs tors. theta energy: -19.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -198.324978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.324978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.324978 (E_RNA) where: Base-Base interactions energy: -142.947 where: short stacking energy: -62.378 Base-Backbone interact. energy: -0.308 local terms energy: -55.069707 where: bonds (distance) C4'-P energy: -12.733 bonds (distance) P-C4' energy: -7.296 flat angles C4'-P-C4' energy: -17.711 flat angles P-C4'-P energy: -4.033 tors. eta vs tors. theta energy: -13.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -290.378527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.378527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.378527 (E_RNA) where: Base-Base interactions energy: -205.677 where: short stacking energy: -93.011 Base-Backbone interact. energy: -1.195 local terms energy: -83.505977 where: bonds (distance) C4'-P energy: -15.916 bonds (distance) P-C4' energy: -15.362 flat angles C4'-P-C4' energy: -21.086 flat angles P-C4'-P energy: -7.170 tors. eta vs tors. theta energy: -23.972 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: 4 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -290.812531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.812531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.812531 (E_RNA) where: Base-Base interactions energy: -207.810 where: short stacking energy: -96.543 Base-Backbone interact. energy: -0.046 local terms energy: -82.956150 where: bonds (distance) C4'-P energy: -19.568 bonds (distance) P-C4' energy: -16.603 flat angles C4'-P-C4' energy: -19.112 flat angles P-C4'-P energy: -5.634 tors. eta vs tors. theta energy: -22.039 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: 2 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -274.038552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.038552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.038552 (E_RNA) where: Base-Base interactions energy: -195.565 where: short stacking energy: -87.719 Base-Backbone interact. energy: -0.437 local terms energy: -78.036782 where: bonds (distance) C4'-P energy: -15.133 bonds (distance) P-C4' energy: -17.409 flat angles C4'-P-C4' energy: -17.840 flat angles P-C4'-P energy: -10.517 tors. eta vs tors. theta energy: -17.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -263.968807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.968807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.968807 (E_RNA) where: Base-Base interactions energy: -183.802 where: short stacking energy: -74.554 Base-Backbone interact. energy: -1.419 local terms energy: -78.748151 where: bonds (distance) C4'-P energy: -15.614 bonds (distance) P-C4' energy: -15.150 flat angles C4'-P-C4' energy: -17.812 flat angles P-C4'-P energy: -12.087 tors. eta vs tors. theta energy: -18.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -232.062810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.062810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.062810 (E_RNA) where: Base-Base interactions energy: -157.716 where: short stacking energy: -78.489 Base-Backbone interact. energy: -1.105 local terms energy: -73.241801 where: bonds (distance) C4'-P energy: -17.194 bonds (distance) P-C4' energy: -12.352 flat angles C4'-P-C4' energy: -18.372 flat angles P-C4'-P energy: -6.725 tors. eta vs tors. theta energy: -18.598 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: 10 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -227.976939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.976939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.976939 (E_RNA) where: Base-Base interactions energy: -145.618 where: short stacking energy: -68.326 Base-Backbone interact. energy: -0.067 local terms energy: -82.292402 where: bonds (distance) C4'-P energy: -17.522 bonds (distance) P-C4' energy: -17.199 flat angles C4'-P-C4' energy: -18.295 flat angles P-C4'-P energy: -12.095 tors. eta vs tors. theta energy: -17.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -214.707917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.707917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.707917 (E_RNA) where: Base-Base interactions energy: -135.576 where: short stacking energy: -64.660 Base-Backbone interact. energy: -1.153 local terms energy: -77.978935 where: bonds (distance) C4'-P energy: -18.172 bonds (distance) P-C4' energy: -18.411 flat angles C4'-P-C4' energy: -17.601 flat angles P-C4'-P energy: -10.742 tors. eta vs tors. theta energy: -13.053 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: 1 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -218.896906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.896906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.896906 (E_RNA) where: Base-Base interactions energy: -154.345 where: short stacking energy: -72.120 Base-Backbone interact. energy: 0.195 local terms energy: -64.747385 where: bonds (distance) C4'-P energy: -13.114 bonds (distance) P-C4' energy: -17.428 flat angles C4'-P-C4' energy: -11.593 flat angles P-C4'-P energy: -7.322 tors. eta vs tors. theta energy: -15.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -194.758531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.758531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.758531 (E_RNA) where: Base-Base interactions energy: -129.240 where: short stacking energy: -62.100 Base-Backbone interact. energy: -0.802 local terms energy: -64.716765 where: bonds (distance) C4'-P energy: -16.211 bonds (distance) P-C4' energy: -15.970 flat angles C4'-P-C4' energy: -10.744 flat angles P-C4'-P energy: -11.374 tors. eta vs tors. theta energy: -10.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -193.506488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.506488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.506488 (E_RNA) where: Base-Base interactions energy: -133.970 where: short stacking energy: -54.867 Base-Backbone interact. energy: 0.020 local terms energy: -59.556728 where: bonds (distance) C4'-P energy: -10.108 bonds (distance) P-C4' energy: -16.068 flat angles C4'-P-C4' energy: -12.744 flat angles P-C4'-P energy: -8.728 tors. eta vs tors. theta energy: -11.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -290.683903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.683903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.683903 (E_RNA) where: Base-Base interactions energy: -206.697 where: short stacking energy: -86.400 Base-Backbone interact. energy: -1.887 local terms energy: -82.100736 where: bonds (distance) C4'-P energy: -13.305 bonds (distance) P-C4' energy: -18.808 flat angles C4'-P-C4' energy: -18.351 flat angles P-C4'-P energy: -9.911 tors. eta vs tors. theta energy: -21.725 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: 2, replica: 4 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -285.626137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.626137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.626137 (E_RNA) where: Base-Base interactions energy: -203.276 where: short stacking energy: -93.741 Base-Backbone interact. energy: 0.854 local terms energy: -83.204126 where: bonds (distance) C4'-P energy: -15.714 bonds (distance) P-C4' energy: -18.139 flat angles C4'-P-C4' energy: -15.338 flat angles P-C4'-P energy: -10.632 tors. eta vs tors. theta energy: -23.382 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: 2 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -258.260182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.260182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.260182 (E_RNA) where: Base-Base interactions energy: -184.495 where: short stacking energy: -78.763 Base-Backbone interact. energy: -0.399 local terms energy: -73.365829 where: bonds (distance) C4'-P energy: -16.218 bonds (distance) P-C4' energy: -14.111 flat angles C4'-P-C4' energy: -18.604 flat angles P-C4'-P energy: -7.914 tors. eta vs tors. theta energy: -16.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -266.200805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.200805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.200805 (E_RNA) where: Base-Base interactions energy: -190.017 where: short stacking energy: -74.974 Base-Backbone interact. energy: -0.187 local terms energy: -75.996103 where: bonds (distance) C4'-P energy: -15.071 bonds (distance) P-C4' energy: -16.564 flat angles C4'-P-C4' energy: -16.722 flat angles P-C4'-P energy: -11.673 tors. eta vs tors. theta energy: -15.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -233.182635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.182635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.182635 (E_RNA) where: Base-Base interactions energy: -158.205 where: short stacking energy: -78.555 Base-Backbone interact. energy: 0.547 local terms energy: -75.523868 where: bonds (distance) C4'-P energy: -14.935 bonds (distance) P-C4' energy: -17.135 flat angles C4'-P-C4' energy: -14.361 flat angles P-C4'-P energy: -11.893 tors. eta vs tors. theta energy: -17.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -212.621040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.621040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.621040 (E_RNA) where: Base-Base interactions energy: -145.056 where: short stacking energy: -68.968 Base-Backbone interact. energy: -0.045 local terms energy: -67.520490 where: bonds (distance) C4'-P energy: -16.481 bonds (distance) P-C4' energy: -16.371 flat angles C4'-P-C4' energy: -11.305 flat angles P-C4'-P energy: -7.098 tors. eta vs tors. theta energy: -16.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -222.701781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.701781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.701781 (E_RNA) where: Base-Base interactions energy: -149.467 where: short stacking energy: -71.491 Base-Backbone interact. energy: -0.469 local terms energy: -72.765948 where: bonds (distance) C4'-P energy: -18.375 bonds (distance) P-C4' energy: -14.818 flat angles C4'-P-C4' energy: -18.196 flat angles P-C4'-P energy: -5.192 tors. eta vs tors. theta energy: -16.186 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: 5 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -208.857256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.857256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.857256 (E_RNA) where: Base-Base interactions energy: -149.839 where: short stacking energy: -70.513 Base-Backbone interact. energy: -1.467 local terms energy: -57.551183 where: bonds (distance) C4'-P energy: -10.496 bonds (distance) P-C4' energy: -12.071 flat angles C4'-P-C4' energy: -9.748 flat angles P-C4'-P energy: -11.357 tors. eta vs tors. theta energy: -13.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -208.526938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.526938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.526938 (E_RNA) where: Base-Base interactions energy: -143.872 where: short stacking energy: -71.486 Base-Backbone interact. energy: 0.396 local terms energy: -65.050549 where: bonds (distance) C4'-P energy: -13.436 bonds (distance) P-C4' energy: -14.977 flat angles C4'-P-C4' energy: -8.349 flat angles P-C4'-P energy: -10.585 tors. eta vs tors. theta energy: -17.704 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: 8 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -201.078923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.078923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.078923 (E_RNA) where: Base-Base interactions energy: -142.448 where: short stacking energy: -63.129 Base-Backbone interact. energy: -0.276 local terms energy: -58.355388 where: bonds (distance) C4'-P energy: -13.746 bonds (distance) P-C4' energy: -14.882 flat angles C4'-P-C4' energy: -16.480 flat angles P-C4'-P energy: -4.043 tors. eta vs tors. theta energy: -9.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -290.989387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.989387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.989387 (E_RNA) where: Base-Base interactions energy: -208.414 where: short stacking energy: -93.412 Base-Backbone interact. energy: 0.802 local terms energy: -83.376919 where: bonds (distance) C4'-P energy: -15.447 bonds (distance) P-C4' energy: -17.285 flat angles C4'-P-C4' energy: -18.180 flat angles P-C4'-P energy: -11.666 tors. eta vs tors. theta energy: -20.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -293.462154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.462154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.462154 (E_RNA) where: Base-Base interactions energy: -209.678 where: short stacking energy: -98.391 Base-Backbone interact. energy: -0.408 local terms energy: -83.376399 where: bonds (distance) C4'-P energy: -14.033 bonds (distance) P-C4' energy: -18.650 flat angles C4'-P-C4' energy: -20.453 flat angles P-C4'-P energy: -7.808 tors. eta vs tors. theta energy: -22.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -264.679312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.679312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.679312 (E_RNA) where: Base-Base interactions energy: -179.284 where: short stacking energy: -70.662 Base-Backbone interact. energy: -1.423 local terms energy: -83.972901 where: bonds (distance) C4'-P energy: -15.249 bonds (distance) P-C4' energy: -18.964 flat angles C4'-P-C4' energy: -18.441 flat angles P-C4'-P energy: -11.970 tors. eta vs tors. theta energy: -19.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -268.497675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.497675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.497675 (E_RNA) where: Base-Base interactions energy: -193.709 where: short stacking energy: -87.974 Base-Backbone interact. energy: 0.715 local terms energy: -75.504307 where: bonds (distance) C4'-P energy: -13.990 bonds (distance) P-C4' energy: -20.324 flat angles C4'-P-C4' energy: -18.447 flat angles P-C4'-P energy: -2.310 tors. eta vs tors. theta energy: -20.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -227.858995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.858995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.858995 (E_RNA) where: Base-Base interactions energy: -164.227 where: short stacking energy: -78.265 Base-Backbone interact. energy: -0.259 local terms energy: -63.373194 where: bonds (distance) C4'-P energy: -13.192 bonds (distance) P-C4' energy: -13.672 flat angles C4'-P-C4' energy: -13.134 flat angles P-C4'-P energy: -6.862 tors. eta vs tors. theta energy: -16.513 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: 9 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -231.878634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.878634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.878634 (E_RNA) where: Base-Base interactions energy: -156.264 where: short stacking energy: -77.495 Base-Backbone interact. energy: -0.648 local terms energy: -74.967075 where: bonds (distance) C4'-P energy: -17.020 bonds (distance) P-C4' energy: -16.579 flat angles C4'-P-C4' energy: -13.043 flat angles P-C4'-P energy: -9.747 tors. eta vs tors. theta energy: -18.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -210.263731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.263731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.263731 (E_RNA) where: Base-Base interactions energy: -141.896 where: short stacking energy: -66.846 Base-Backbone interact. energy: -0.186 local terms energy: -68.181310 where: bonds (distance) C4'-P energy: -17.088 bonds (distance) P-C4' energy: -14.894 flat angles C4'-P-C4' energy: -11.213 flat angles P-C4'-P energy: -4.546 tors. eta vs tors. theta energy: -20.441 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: 8, replica: 5 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -214.784388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.784388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.784388 (E_RNA) where: Base-Base interactions energy: -155.398 where: short stacking energy: -71.500 Base-Backbone interact. energy: 0.557 local terms energy: -59.943100 where: bonds (distance) C4'-P energy: -14.830 bonds (distance) P-C4' energy: -10.559 flat angles C4'-P-C4' energy: -12.339 flat angles P-C4'-P energy: -8.534 tors. eta vs tors. theta energy: -13.681 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: 8 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -214.846040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.846040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.846040 (E_RNA) where: Base-Base interactions energy: -154.302 where: short stacking energy: -64.332 Base-Backbone interact. energy: 2.065 local terms energy: -62.608805 where: bonds (distance) C4'-P energy: -12.696 bonds (distance) P-C4' energy: -14.623 flat angles C4'-P-C4' energy: -15.449 flat angles P-C4'-P energy: -3.217 tors. eta vs tors. theta energy: -16.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -185.859380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.859380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.859380 (E_RNA) where: Base-Base interactions energy: -122.080 where: short stacking energy: -57.698 Base-Backbone interact. energy: -0.116 local terms energy: -63.663199 where: bonds (distance) C4'-P energy: -12.991 bonds (distance) P-C4' energy: -14.392 flat angles C4'-P-C4' energy: -13.779 flat angles P-C4'-P energy: -11.179 tors. eta vs tors. theta energy: -11.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -298.021586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.021586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.021586 (E_RNA) where: Base-Base interactions energy: -216.577 where: short stacking energy: -91.531 Base-Backbone interact. energy: -0.834 local terms energy: -80.610341 where: bonds (distance) C4'-P energy: -12.704 bonds (distance) P-C4' energy: -16.073 flat angles C4'-P-C4' energy: -20.366 flat angles P-C4'-P energy: -10.742 tors. eta vs tors. theta energy: -20.725 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: 2, replica: 4 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -293.943502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.943502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.943502 (E_RNA) where: Base-Base interactions energy: -205.205 where: short stacking energy: -89.235 Base-Backbone interact. energy: -1.117 local terms energy: -87.621542 where: bonds (distance) C4'-P energy: -17.179 bonds (distance) P-C4' energy: -18.197 flat angles C4'-P-C4' energy: -19.406 flat angles P-C4'-P energy: -11.635 tors. eta vs tors. theta energy: -21.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -271.080643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.080643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.080643 (E_RNA) where: Base-Base interactions energy: -194.615 where: short stacking energy: -82.582 Base-Backbone interact. energy: -2.274 local terms energy: -74.191053 where: bonds (distance) C4'-P energy: -14.392 bonds (distance) P-C4' energy: -17.645 flat angles C4'-P-C4' energy: -16.511 flat angles P-C4'-P energy: -5.205 tors. eta vs tors. theta energy: -20.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -261.221882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.221882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.221882 (E_RNA) where: Base-Base interactions energy: -179.443 where: short stacking energy: -69.884 Base-Backbone interact. energy: -0.398 local terms energy: -81.381394 where: bonds (distance) C4'-P energy: -15.386 bonds (distance) P-C4' energy: -18.400 flat angles C4'-P-C4' energy: -18.690 flat angles P-C4'-P energy: -14.252 tors. eta vs tors. theta energy: -14.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -229.286778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.286778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.286778 (E_RNA) where: Base-Base interactions energy: -159.902 where: short stacking energy: -78.684 Base-Backbone interact. energy: -0.804 local terms energy: -68.580565 where: bonds (distance) C4'-P energy: -12.645 bonds (distance) P-C4' energy: -15.958 flat angles C4'-P-C4' energy: -16.804 flat angles P-C4'-P energy: -3.273 tors. eta vs tors. theta energy: -19.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -226.227071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.227071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.227071 (E_RNA) where: Base-Base interactions energy: -153.120 where: short stacking energy: -84.136 Base-Backbone interact. energy: 0.061 local terms energy: -73.168319 where: bonds (distance) C4'-P energy: -15.073 bonds (distance) P-C4' energy: -16.599 flat angles C4'-P-C4' energy: -16.120 flat angles P-C4'-P energy: -8.745 tors. eta vs tors. theta energy: -16.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -225.388256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.388256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.388256 (E_RNA) where: Base-Base interactions energy: -153.578 where: short stacking energy: -72.178 Base-Backbone interact. energy: -0.135 local terms energy: -71.674905 where: bonds (distance) C4'-P energy: -13.701 bonds (distance) P-C4' energy: -20.048 flat angles C4'-P-C4' energy: -13.460 flat angles P-C4'-P energy: -7.736 tors. eta vs tors. theta energy: -16.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -214.492901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.492901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.492901 (E_RNA) where: Base-Base interactions energy: -154.237 where: short stacking energy: -77.509 Base-Backbone interact. energy: -0.125 local terms energy: -60.131174 where: bonds (distance) C4'-P energy: -12.024 bonds (distance) P-C4' energy: -13.059 flat angles C4'-P-C4' energy: -12.942 flat angles P-C4'-P energy: -5.051 tors. eta vs tors. theta energy: -17.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -206.071064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.071064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.071064 (E_RNA) where: Base-Base interactions energy: -146.482 where: short stacking energy: -65.933 Base-Backbone interact. energy: -0.162 local terms energy: -59.427344 where: bonds (distance) C4'-P energy: -2.353 bonds (distance) P-C4' energy: -17.882 flat angles C4'-P-C4' energy: -14.339 flat angles P-C4'-P energy: -9.412 tors. eta vs tors. theta energy: -15.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -186.457770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.457770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.457770 (E_RNA) where: Base-Base interactions energy: -124.778 where: short stacking energy: -54.578 Base-Backbone interact. energy: 0.778 local terms energy: -62.458038 where: bonds (distance) C4'-P energy: -13.580 bonds (distance) P-C4' energy: -14.594 flat angles C4'-P-C4' energy: -16.863 flat angles P-C4'-P energy: -8.194 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: 1, replica: 4 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -293.361897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.361897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.361897 (E_RNA) where: Base-Base interactions energy: -206.687 where: short stacking energy: -92.385 Base-Backbone interact. energy: 1.209 local terms energy: -87.884275 where: bonds (distance) C4'-P energy: -16.898 bonds (distance) P-C4' energy: -19.101 flat angles C4'-P-C4' energy: -16.554 flat angles P-C4'-P energy: -12.537 tors. eta vs tors. theta energy: -22.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -291.684007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.684007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.684007 (E_RNA) where: Base-Base interactions energy: -212.087 where: short stacking energy: -97.635 Base-Backbone interact. energy: -0.993 local terms energy: -78.604078 where: bonds (distance) C4'-P energy: -12.824 bonds (distance) P-C4' energy: -15.704 flat angles C4'-P-C4' energy: -16.337 flat angles P-C4'-P energy: -10.721 tors. eta vs tors. theta energy: -23.017 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: 7 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -272.711732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.711732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.711732 (E_RNA) where: Base-Base interactions energy: -188.372 where: short stacking energy: -87.992 Base-Backbone interact. energy: -0.381 local terms energy: -83.959055 where: bonds (distance) C4'-P energy: -17.547 bonds (distance) P-C4' energy: -17.044 flat angles C4'-P-C4' energy: -17.819 flat angles P-C4'-P energy: -10.575 tors. eta vs tors. theta energy: -20.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -263.771407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.771407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.771407 (E_RNA) where: Base-Base interactions energy: -197.664 where: short stacking energy: -96.158 Base-Backbone interact. energy: -0.556 local terms energy: -65.552333 where: bonds (distance) C4'-P energy: -14.352 bonds (distance) P-C4' energy: -9.034 flat angles C4'-P-C4' energy: -16.941 flat angles P-C4'-P energy: -4.852 tors. eta vs tors. theta energy: -20.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -237.737004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.737004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.737004 (E_RNA) where: Base-Base interactions energy: -160.059 where: short stacking energy: -78.196 Base-Backbone interact. energy: -0.276 local terms energy: -77.401255 where: bonds (distance) C4'-P energy: -20.072 bonds (distance) P-C4' energy: -16.783 flat angles C4'-P-C4' energy: -15.270 flat angles P-C4'-P energy: -6.855 tors. eta vs tors. theta energy: -18.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -223.502575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.502575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.502575 (E_RNA) where: Base-Base interactions energy: -151.197 where: short stacking energy: -71.230 Base-Backbone interact. energy: -0.047 local terms energy: -72.258151 where: bonds (distance) C4'-P energy: -17.448 bonds (distance) P-C4' energy: -12.620 flat angles C4'-P-C4' energy: -19.975 flat angles P-C4'-P energy: -8.212 tors. eta vs tors. theta energy: -14.004 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: 7, replica: 8 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -216.913089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.913089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.913089 (E_RNA) where: Base-Base interactions energy: -146.364 where: short stacking energy: -71.476 Base-Backbone interact. energy: 0.385 local terms energy: -70.933547 where: bonds (distance) C4'-P energy: -12.368 bonds (distance) P-C4' energy: -12.600 flat angles C4'-P-C4' energy: -17.239 flat angles P-C4'-P energy: -10.759 tors. eta vs tors. theta energy: -17.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -222.796098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.796098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.796098 (E_RNA) where: Base-Base interactions energy: -158.023 where: short stacking energy: -75.473 Base-Backbone interact. energy: -0.531 local terms energy: -64.242285 where: bonds (distance) C4'-P energy: -9.084 bonds (distance) P-C4' energy: -15.883 flat angles C4'-P-C4' energy: -11.878 flat angles P-C4'-P energy: -8.733 tors. eta vs tors. theta energy: -18.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -207.398238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.398238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.398238 (E_RNA) where: Base-Base interactions energy: -145.817 where: short stacking energy: -63.234 Base-Backbone interact. energy: -0.337 local terms energy: -61.244826 where: bonds (distance) C4'-P energy: -13.856 bonds (distance) P-C4' energy: -16.397 flat angles C4'-P-C4' energy: -10.448 flat angles P-C4'-P energy: -6.946 tors. eta vs tors. theta energy: -13.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -212.305067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.305067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.305067 (E_RNA) where: Base-Base interactions energy: -143.922 where: short stacking energy: -65.724 Base-Backbone interact. energy: -0.340 local terms energy: -68.043183 where: bonds (distance) C4'-P energy: -11.507 bonds (distance) P-C4' energy: -16.911 flat angles C4'-P-C4' energy: -15.262 flat angles P-C4'-P energy: -8.663 tors. eta vs tors. theta energy: -15.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -294.031135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.031135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.031135 (E_RNA) where: Base-Base interactions energy: -207.519 where: short stacking energy: -86.623 Base-Backbone interact. energy: -0.321 local terms energy: -86.190740 where: bonds (distance) C4'-P energy: -16.231 bonds (distance) P-C4' energy: -19.560 flat angles C4'-P-C4' energy: -17.450 flat angles P-C4'-P energy: -10.245 tors. eta vs tors. theta energy: -22.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -274.146033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.146033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.146033 (E_RNA) where: Base-Base interactions energy: -189.255 where: short stacking energy: -87.577 Base-Backbone interact. energy: -0.448 local terms energy: -84.443036 where: bonds (distance) C4'-P energy: -19.168 bonds (distance) P-C4' energy: -17.694 flat angles C4'-P-C4' energy: -16.581 flat angles P-C4'-P energy: -11.292 tors. eta vs tors. theta energy: -19.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -287.647895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.647895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.647895 (E_RNA) where: Base-Base interactions energy: -201.584 where: short stacking energy: -94.033 Base-Backbone interact. energy: -1.290 local terms energy: -84.773260 where: bonds (distance) C4'-P energy: -14.036 bonds (distance) P-C4' energy: -19.119 flat angles C4'-P-C4' energy: -15.561 flat angles P-C4'-P energy: -12.323 tors. eta vs tors. theta energy: -23.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -276.465420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.465420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.465420 (E_RNA) where: Base-Base interactions energy: -192.681 where: short stacking energy: -88.257 Base-Backbone interact. energy: -1.599 local terms energy: -82.185533 where: bonds (distance) C4'-P energy: -18.963 bonds (distance) P-C4' energy: -15.012 flat angles C4'-P-C4' energy: -15.498 flat angles P-C4'-P energy: -11.558 tors. eta vs tors. theta energy: -21.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -219.987667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.987667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.987667 (E_RNA) where: Base-Base interactions energy: -142.626 where: short stacking energy: -62.901 Base-Backbone interact. energy: 0.191 local terms energy: -77.553232 where: bonds (distance) C4'-P energy: -18.699 bonds (distance) P-C4' energy: -16.111 flat angles C4'-P-C4' energy: -16.604 flat angles P-C4'-P energy: -11.839 tors. eta vs tors. theta energy: -14.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -225.408006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.408006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.408006 (E_RNA) where: Base-Base interactions energy: -153.966 where: short stacking energy: -72.695 Base-Backbone interact. energy: -0.001 local terms energy: -71.441421 where: bonds (distance) C4'-P energy: -14.273 bonds (distance) P-C4' energy: -16.837 flat angles C4'-P-C4' energy: -15.107 flat angles P-C4'-P energy: -7.081 tors. eta vs tors. theta energy: -18.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -224.404734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.404734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.404734 (E_RNA) where: Base-Base interactions energy: -147.726 where: short stacking energy: -71.086 Base-Backbone interact. energy: -0.043 local terms energy: -76.635568 where: bonds (distance) C4'-P energy: -12.380 bonds (distance) P-C4' energy: -17.717 flat angles C4'-P-C4' energy: -18.318 flat angles P-C4'-P energy: -10.975 tors. eta vs tors. theta energy: -17.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -221.201737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.201737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.201737 (E_RNA) where: Base-Base interactions energy: -140.500 where: short stacking energy: -64.026 Base-Backbone interact. energy: -0.001 local terms energy: -80.701239 where: bonds (distance) C4'-P energy: -20.359 bonds (distance) P-C4' energy: -18.901 flat angles C4'-P-C4' energy: -16.896 flat angles P-C4'-P energy: -7.532 tors. eta vs tors. theta energy: -17.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -215.176723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.176723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.176723 (E_RNA) where: Base-Base interactions energy: -143.478 where: short stacking energy: -64.848 Base-Backbone interact. energy: -0.270 local terms energy: -71.428237 where: bonds (distance) C4'-P energy: -14.898 bonds (distance) P-C4' energy: -17.436 flat angles C4'-P-C4' energy: -16.067 flat angles P-C4'-P energy: -10.214 tors. eta vs tors. theta energy: -12.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -202.494951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.494951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.494951 (E_RNA) where: Base-Base interactions energy: -138.958 where: short stacking energy: -62.939 Base-Backbone interact. energy: -0.360 local terms energy: -63.176433 where: bonds (distance) C4'-P energy: -9.852 bonds (distance) P-C4' energy: -17.797 flat angles C4'-P-C4' energy: -16.144 flat angles P-C4'-P energy: -4.579 tors. eta vs tors. theta energy: -14.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -281.848523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.848523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.848523 (E_RNA) where: Base-Base interactions energy: -202.060 where: short stacking energy: -88.033 Base-Backbone interact. energy: -0.201 local terms energy: -79.587035 where: bonds (distance) C4'-P energy: -18.182 bonds (distance) P-C4' energy: -13.068 flat angles C4'-P-C4' energy: -15.044 flat angles P-C4'-P energy: -10.623 tors. eta vs tors. theta energy: -22.670 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: 7 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -274.223575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.223575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.223575 (E_RNA) where: Base-Base interactions energy: -191.571 where: short stacking energy: -86.019 Base-Backbone interact. energy: -0.344 local terms energy: -82.308603 where: bonds (distance) C4'-P energy: -17.416 bonds (distance) P-C4' energy: -18.477 flat angles C4'-P-C4' energy: -17.843 flat angles P-C4'-P energy: -9.830 tors. eta vs tors. theta energy: -18.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -281.813221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.813221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.813221 (E_RNA) where: Base-Base interactions energy: -198.313 where: short stacking energy: -90.434 Base-Backbone interact. energy: -1.322 local terms energy: -82.177763 where: bonds (distance) C4'-P energy: -13.377 bonds (distance) P-C4' energy: -16.170 flat angles C4'-P-C4' energy: -18.771 flat angles P-C4'-P energy: -10.778 tors. eta vs tors. theta energy: -23.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -274.034083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.034083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.034083 (E_RNA) where: Base-Base interactions energy: -190.937 where: short stacking energy: -86.087 Base-Backbone interact. energy: -0.484 local terms energy: -82.613185 where: bonds (distance) C4'-P energy: -16.260 bonds (distance) P-C4' energy: -21.324 flat angles C4'-P-C4' energy: -17.279 flat angles P-C4'-P energy: -6.205 tors. eta vs tors. theta energy: -21.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -224.341712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.341712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.341712 (E_RNA) where: Base-Base interactions energy: -148.967 where: short stacking energy: -75.778 Base-Backbone interact. energy: -0.328 local terms energy: -75.046271 where: bonds (distance) C4'-P energy: -14.032 bonds (distance) P-C4' energy: -18.298 flat angles C4'-P-C4' energy: -20.602 flat angles P-C4'-P energy: -7.394 tors. eta vs tors. theta energy: -14.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -227.985990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.985990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.985990 (E_RNA) where: Base-Base interactions energy: -153.523 where: short stacking energy: -70.551 Base-Backbone interact. energy: -0.027 local terms energy: -74.436278 where: bonds (distance) C4'-P energy: -17.639 bonds (distance) P-C4' energy: -17.617 flat angles C4'-P-C4' energy: -14.580 flat angles P-C4'-P energy: -6.776 tors. eta vs tors. theta energy: -17.824 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: 182 Temperature: 1.200000 Total energy: -205.882528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.882528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.882528 (E_RNA) where: Base-Base interactions energy: -144.219 where: short stacking energy: -67.217 Base-Backbone interact. energy: -0.006 local terms energy: -61.657822 where: bonds (distance) C4'-P energy: -15.130 bonds (distance) P-C4' energy: -13.617 flat angles C4'-P-C4' energy: -14.087 flat angles P-C4'-P energy: -5.301 tors. eta vs tors. theta energy: -13.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -214.901192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.901192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.901192 (E_RNA) where: Base-Base interactions energy: -140.465 where: short stacking energy: -64.155 Base-Backbone interact. energy: -0.023 local terms energy: -74.412987 where: bonds (distance) C4'-P energy: -14.375 bonds (distance) P-C4' energy: -16.650 flat angles C4'-P-C4' energy: -19.552 flat angles P-C4'-P energy: -8.849 tors. eta vs tors. theta energy: -14.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -209.046078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.046078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.046078 (E_RNA) where: Base-Base interactions energy: -132.575 where: short stacking energy: -51.626 Base-Backbone interact. energy: -0.277 local terms energy: -76.194051 where: bonds (distance) C4'-P energy: -14.473 bonds (distance) P-C4' energy: -18.050 flat angles C4'-P-C4' energy: -12.965 flat angles P-C4'-P energy: -10.989 tors. eta vs tors. theta energy: -19.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -173.959497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.959497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.959497 (E_RNA) where: Base-Base interactions energy: -124.116 where: short stacking energy: -54.884 Base-Backbone interact. energy: -0.031 local terms energy: -49.812473 where: bonds (distance) C4'-P energy: -10.836 bonds (distance) P-C4' energy: -14.017 flat angles C4'-P-C4' energy: -10.879 flat angles P-C4'-P energy: -9.395 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: 1, replica: 4 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -295.468457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.468457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.468457 (E_RNA) where: Base-Base interactions energy: -206.533 where: short stacking energy: -91.129 Base-Backbone interact. energy: -1.274 local terms energy: -87.661002 where: bonds (distance) C4'-P energy: -15.125 bonds (distance) P-C4' energy: -20.172 flat angles C4'-P-C4' energy: -19.578 flat angles P-C4'-P energy: -9.973 tors. eta vs tors. theta energy: -22.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -287.750621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.750621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.750621 (E_RNA) where: Base-Base interactions energy: -209.019 where: short stacking energy: -92.515 Base-Backbone interact. energy: -0.239 local terms energy: -78.492512 where: bonds (distance) C4'-P energy: -15.183 bonds (distance) P-C4' energy: -18.065 flat angles C4'-P-C4' energy: -17.351 flat angles P-C4'-P energy: -8.884 tors. eta vs tors. theta energy: -19.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -268.322184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.322184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.322184 (E_RNA) where: Base-Base interactions energy: -195.712 where: short stacking energy: -83.355 Base-Backbone interact. energy: -0.097 local terms energy: -72.513500 where: bonds (distance) C4'-P energy: -12.427 bonds (distance) P-C4' energy: -16.115 flat angles C4'-P-C4' energy: -17.326 flat angles P-C4'-P energy: -8.766 tors. eta vs tors. theta energy: -17.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -278.779937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.779937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.779937 (E_RNA) where: Base-Base interactions energy: -194.650 where: short stacking energy: -85.585 Base-Backbone interact. energy: -1.328 local terms energy: -82.801882 where: bonds (distance) C4'-P energy: -16.955 bonds (distance) P-C4' energy: -12.953 flat angles C4'-P-C4' energy: -20.631 flat angles P-C4'-P energy: -10.005 tors. eta vs tors. theta energy: -22.257 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: 5, replica: 8 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -216.363877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.363877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.363877 (E_RNA) where: Base-Base interactions energy: -151.967 where: short stacking energy: -64.746 Base-Backbone interact. energy: -0.101 local terms energy: -64.295386 where: bonds (distance) C4'-P energy: -16.512 bonds (distance) P-C4' energy: -12.078 flat angles C4'-P-C4' energy: -14.349 flat angles P-C4'-P energy: -10.490 tors. eta vs tors. theta energy: -10.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -214.749231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.749231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.749231 (E_RNA) where: Base-Base interactions energy: -145.288 where: short stacking energy: -62.260 Base-Backbone interact. energy: -1.606 local terms energy: -67.855772 where: bonds (distance) C4'-P energy: -16.447 bonds (distance) P-C4' energy: -16.978 flat angles C4'-P-C4' energy: -18.232 flat angles P-C4'-P energy: -2.785 tors. eta vs tors. theta energy: -13.414 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: 10 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -222.022046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.022046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.022046 (E_RNA) where: Base-Base interactions energy: -152.533 where: short stacking energy: -75.344 Base-Backbone interact. energy: -0.331 local terms energy: -69.157815 where: bonds (distance) C4'-P energy: -11.511 bonds (distance) P-C4' energy: -10.774 flat angles C4'-P-C4' energy: -16.965 flat angles P-C4'-P energy: -10.315 tors. eta vs tors. theta energy: -19.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -208.886879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.886879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.886879 (E_RNA) where: Base-Base interactions energy: -139.966 where: short stacking energy: -64.501 Base-Backbone interact. energy: 0.219 local terms energy: -69.139651 where: bonds (distance) C4'-P energy: -12.918 bonds (distance) P-C4' energy: -15.962 flat angles C4'-P-C4' energy: -15.868 flat angles P-C4'-P energy: -10.907 tors. eta vs tors. theta energy: -13.485 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: 6 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -203.161887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.161887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.161887 (E_RNA) where: Base-Base interactions energy: -130.611 where: short stacking energy: -56.564 Base-Backbone interact. energy: -0.500 local terms energy: -72.050952 where: bonds (distance) C4'-P energy: -17.382 bonds (distance) P-C4' energy: -18.647 flat angles C4'-P-C4' energy: -16.097 flat angles P-C4'-P energy: -6.525 tors. eta vs tors. theta energy: -13.400 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: 9 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -190.917288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.917288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.917288 (E_RNA) where: Base-Base interactions energy: -133.826 where: short stacking energy: -56.159 Base-Backbone interact. energy: 0.131 local terms energy: -57.221672 where: bonds (distance) C4'-P energy: -11.649 bonds (distance) P-C4' energy: -11.732 flat angles C4'-P-C4' energy: -13.063 flat angles P-C4'-P energy: -9.392 tors. eta vs tors. theta energy: -11.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -295.203746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.203746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.203746 (E_RNA) where: Base-Base interactions energy: -209.201 where: short stacking energy: -88.148 Base-Backbone interact. energy: -1.986 local terms energy: -84.017111 where: bonds (distance) C4'-P energy: -17.614 bonds (distance) P-C4' energy: -16.676 flat angles C4'-P-C4' energy: -15.798 flat angles P-C4'-P energy: -9.649 tors. eta vs tors. theta energy: -24.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -290.436937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.436937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.436937 (E_RNA) where: Base-Base interactions energy: -204.687 where: short stacking energy: -85.372 Base-Backbone interact. energy: -2.863 local terms energy: -82.886497 where: bonds (distance) C4'-P energy: -15.952 bonds (distance) P-C4' energy: -19.681 flat angles C4'-P-C4' energy: -18.466 flat angles P-C4'-P energy: -6.513 tors. eta vs tors. theta energy: -22.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -292.439132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.439132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.439132 (E_RNA) where: Base-Base interactions energy: -210.842 where: short stacking energy: -97.315 Base-Backbone interact. energy: -1.568 local terms energy: -80.028987 where: bonds (distance) C4'-P energy: -11.332 bonds (distance) P-C4' energy: -20.612 flat angles C4'-P-C4' energy: -18.658 flat angles P-C4'-P energy: -6.834 tors. eta vs tors. theta energy: -22.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -258.112493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.112493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.112493 (E_RNA) where: Base-Base interactions energy: -183.394 where: short stacking energy: -70.584 Base-Backbone interact. energy: -1.268 local terms energy: -73.450827 where: bonds (distance) C4'-P energy: -10.932 bonds (distance) P-C4' energy: -19.260 flat angles C4'-P-C4' energy: -18.309 flat angles P-C4'-P energy: -10.716 tors. eta vs tors. theta energy: -14.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -222.880262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.880262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.880262 (E_RNA) where: Base-Base interactions energy: -156.629 where: short stacking energy: -75.059 Base-Backbone interact. energy: -0.300 local terms energy: -65.951262 where: bonds (distance) C4'-P energy: -11.102 bonds (distance) P-C4' energy: -7.627 flat angles C4'-P-C4' energy: -18.369 flat angles P-C4'-P energy: -10.704 tors. eta vs tors. theta energy: -18.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -238.198062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.198062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.198062 (E_RNA) where: Base-Base interactions energy: -160.583 where: short stacking energy: -78.852 Base-Backbone interact. energy: -0.304 local terms energy: -77.310701 where: bonds (distance) C4'-P energy: -16.181 bonds (distance) P-C4' energy: -20.365 flat angles C4'-P-C4' energy: -17.997 flat angles P-C4'-P energy: -7.395 tors. eta vs tors. theta energy: -15.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -227.236865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.236865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.236865 (E_RNA) where: Base-Base interactions energy: -154.702 where: short stacking energy: -78.276 Base-Backbone interact. energy: -0.411 local terms energy: -72.123958 where: bonds (distance) C4'-P energy: -12.302 bonds (distance) P-C4' energy: -11.445 flat angles C4'-P-C4' energy: -15.291 flat angles P-C4'-P energy: -13.104 tors. eta vs tors. theta energy: -19.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -223.898305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.898305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.898305 (E_RNA) where: Base-Base interactions energy: -156.302 where: short stacking energy: -76.209 Base-Backbone interact. energy: 0.246 local terms energy: -67.841779 where: bonds (distance) C4'-P energy: -13.265 bonds (distance) P-C4' energy: -11.910 flat angles C4'-P-C4' energy: -17.427 flat angles P-C4'-P energy: -9.935 tors. eta vs tors. theta energy: -15.303 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: 9 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -193.401831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.401831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.401831 (E_RNA) where: Base-Base interactions energy: -129.377 where: short stacking energy: -63.417 Base-Backbone interact. energy: 1.223 local terms energy: -65.247501 where: bonds (distance) C4'-P energy: -12.852 bonds (distance) P-C4' energy: -13.106 flat angles C4'-P-C4' energy: -17.107 flat angles P-C4'-P energy: -7.494 tors. eta vs tors. theta energy: -14.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -190.205761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.205761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.205761 (E_RNA) where: Base-Base interactions energy: -128.716 where: short stacking energy: -54.984 Base-Backbone interact. energy: -0.047 local terms energy: -61.442767 where: bonds (distance) C4'-P energy: -10.365 bonds (distance) P-C4' energy: -17.343 flat angles C4'-P-C4' energy: -17.704 flat angles P-C4'-P energy: -4.847 tors. eta vs tors. theta energy: -11.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -282.281516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.281516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.281516 (E_RNA) where: Base-Base interactions energy: -200.581 where: short stacking energy: -82.096 Base-Backbone interact. energy: -0.754 local terms energy: -80.945691 where: bonds (distance) C4'-P energy: -18.209 bonds (distance) P-C4' energy: -18.698 flat angles C4'-P-C4' energy: -18.484 flat angles P-C4'-P energy: -11.487 tors. eta vs tors. theta energy: -14.068 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: 2 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -277.367031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.367031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.367031 (E_RNA) where: Base-Base interactions energy: -192.198 where: short stacking energy: -88.710 Base-Backbone interact. energy: -2.224 local terms energy: -82.944944 where: bonds (distance) C4'-P energy: -14.226 bonds (distance) P-C4' energy: -16.353 flat angles C4'-P-C4' energy: -16.624 flat angles P-C4'-P energy: -14.805 tors. eta vs tors. theta energy: -20.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -269.007862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.007862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.007862 (E_RNA) where: Base-Base interactions energy: -194.776 where: short stacking energy: -78.416 Base-Backbone interact. energy: -0.431 local terms energy: -73.800735 where: bonds (distance) C4'-P energy: -14.777 bonds (distance) P-C4' energy: -15.562 flat angles C4'-P-C4' energy: -10.990 flat angles P-C4'-P energy: -14.172 tors. eta vs tors. theta energy: -18.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -241.492806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.492806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.492806 (E_RNA) where: Base-Base interactions energy: -165.251 where: short stacking energy: -79.565 Base-Backbone interact. energy: 0.334 local terms energy: -76.576615 where: bonds (distance) C4'-P energy: -18.078 bonds (distance) P-C4' energy: -18.255 flat angles C4'-P-C4' energy: -15.933 flat angles P-C4'-P energy: -2.772 tors. eta vs tors. theta energy: -21.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -265.226560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.226560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.226560 (E_RNA) where: Base-Base interactions energy: -188.321 where: short stacking energy: -83.114 Base-Backbone interact. energy: -0.549 local terms energy: -76.356091 where: bonds (distance) C4'-P energy: -15.983 bonds (distance) P-C4' energy: -16.573 flat angles C4'-P-C4' energy: -14.735 flat angles P-C4'-P energy: -14.032 tors. eta vs tors. theta energy: -15.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -223.943397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.943397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.943397 (E_RNA) where: Base-Base interactions energy: -148.282 where: short stacking energy: -69.587 Base-Backbone interact. energy: -0.162 local terms energy: -75.499363 where: bonds (distance) C4'-P energy: -14.877 bonds (distance) P-C4' energy: -15.055 flat angles C4'-P-C4' energy: -16.636 flat angles P-C4'-P energy: -9.551 tors. eta vs tors. theta energy: -19.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -216.370960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.370960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.370960 (E_RNA) where: Base-Base interactions energy: -155.326 where: short stacking energy: -78.029 Base-Backbone interact. energy: -0.188 local terms energy: -60.857095 where: bonds (distance) C4'-P energy: -12.066 bonds (distance) P-C4' energy: -12.542 flat angles C4'-P-C4' energy: -16.191 flat angles P-C4'-P energy: -8.379 tors. eta vs tors. theta energy: -11.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -225.384413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.384413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.384413 (E_RNA) where: Base-Base interactions energy: -146.682 where: short stacking energy: -75.365 Base-Backbone interact. energy: -1.033 local terms energy: -77.669377 where: bonds (distance) C4'-P energy: -15.006 bonds (distance) P-C4' energy: -18.783 flat angles C4'-P-C4' energy: -14.581 flat angles P-C4'-P energy: -11.088 tors. eta vs tors. theta energy: -18.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -184.366839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.366839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.366839 (E_RNA) where: Base-Base interactions energy: -124.033 where: short stacking energy: -57.108 Base-Backbone interact. energy: -0.961 local terms energy: -59.373249 where: bonds (distance) C4'-P energy: -8.725 bonds (distance) P-C4' energy: -13.701 flat angles C4'-P-C4' energy: -10.213 flat angles P-C4'-P energy: -13.727 tors. eta vs tors. theta energy: -13.007 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: 6 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -197.973919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.973919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.973919 (E_RNA) where: Base-Base interactions energy: -124.917 where: short stacking energy: -49.816 Base-Backbone interact. energy: -1.581 local terms energy: -71.475267 where: bonds (distance) C4'-P energy: -13.760 bonds (distance) P-C4' energy: -18.149 flat angles C4'-P-C4' energy: -13.025 flat angles P-C4'-P energy: -10.103 tors. eta vs tors. theta energy: -16.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -291.243405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.243405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.243405 (E_RNA) where: Base-Base interactions energy: -209.019 where: short stacking energy: -76.213 Base-Backbone interact. energy: -1.418 local terms energy: -80.806478 where: bonds (distance) C4'-P energy: -16.653 bonds (distance) P-C4' energy: -17.957 flat angles C4'-P-C4' energy: -16.317 flat angles P-C4'-P energy: -9.386 tors. eta vs tors. theta energy: -20.495 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: 2 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -282.795324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.795324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.795324 (E_RNA) where: Base-Base interactions energy: -195.603 where: short stacking energy: -85.660 Base-Backbone interact. energy: -0.249 local terms energy: -86.943938 where: bonds (distance) C4'-P energy: -14.691 bonds (distance) P-C4' energy: -18.422 flat angles C4'-P-C4' energy: -18.916 flat angles P-C4'-P energy: -16.013 tors. eta vs tors. theta energy: -18.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -263.994870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.994870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.994870 (E_RNA) where: Base-Base interactions energy: -187.110 where: short stacking energy: -81.870 Base-Backbone interact. energy: 0.491 local terms energy: -77.376541 where: bonds (distance) C4'-P energy: -12.940 bonds (distance) P-C4' energy: -19.750 flat angles C4'-P-C4' energy: -16.584 flat angles P-C4'-P energy: -8.768 tors. eta vs tors. theta energy: -19.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -258.153301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.153301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.153301 (E_RNA) where: Base-Base interactions energy: -175.542 where: short stacking energy: -89.401 Base-Backbone interact. energy: -0.096 local terms energy: -82.515894 where: bonds (distance) C4'-P energy: -17.878 bonds (distance) P-C4' energy: -13.495 flat angles C4'-P-C4' energy: -20.558 flat angles P-C4'-P energy: -9.830 tors. eta vs tors. theta energy: -20.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -225.996380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.996380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.996380 (E_RNA) where: Base-Base interactions energy: -150.249 where: short stacking energy: -72.821 Base-Backbone interact. energy: -0.564 local terms energy: -75.183209 where: bonds (distance) C4'-P energy: -15.183 bonds (distance) P-C4' energy: -14.699 flat angles C4'-P-C4' energy: -16.286 flat angles P-C4'-P energy: -14.140 tors. eta vs tors. theta energy: -14.876 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: 7 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -260.454120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.454120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.454120 (E_RNA) where: Base-Base interactions energy: -180.507 where: short stacking energy: -72.717 Base-Backbone interact. energy: -1.790 local terms energy: -78.156163 where: bonds (distance) C4'-P energy: -13.945 bonds (distance) P-C4' energy: -19.592 flat angles C4'-P-C4' energy: -17.059 flat angles P-C4'-P energy: -10.722 tors. eta vs tors. theta energy: -16.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -219.416182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.416182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.416182 (E_RNA) where: Base-Base interactions energy: -151.348 where: short stacking energy: -67.963 Base-Backbone interact. energy: -0.061 local terms energy: -68.007139 where: bonds (distance) C4'-P energy: -13.817 bonds (distance) P-C4' energy: -11.493 flat angles C4'-P-C4' energy: -18.560 flat angles P-C4'-P energy: -10.227 tors. eta vs tors. theta energy: -13.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -210.633247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.633247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.633247 (E_RNA) where: Base-Base interactions energy: -138.267 where: short stacking energy: -58.010 Base-Backbone interact. energy: 0.822 local terms energy: -73.188143 where: bonds (distance) C4'-P energy: -16.090 bonds (distance) P-C4' energy: -14.417 flat angles C4'-P-C4' energy: -14.087 flat angles P-C4'-P energy: -13.076 tors. eta vs tors. theta energy: -15.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -207.294848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.294848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.294848 (E_RNA) where: Base-Base interactions energy: -140.661 where: short stacking energy: -61.016 Base-Backbone interact. energy: -0.152 local terms energy: -66.481672 where: bonds (distance) C4'-P energy: -15.108 bonds (distance) P-C4' energy: -16.613 flat angles C4'-P-C4' energy: -13.001 flat angles P-C4'-P energy: -5.877 tors. eta vs tors. theta energy: -15.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -198.453386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.453386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.453386 (E_RNA) where: Base-Base interactions energy: -130.801 where: short stacking energy: -66.184 Base-Backbone interact. energy: -1.330 local terms energy: -66.322455 where: bonds (distance) C4'-P energy: -17.493 bonds (distance) P-C4' energy: -10.631 flat angles C4'-P-C4' energy: -15.427 flat angles P-C4'-P energy: -10.738 tors. eta vs tors. theta energy: -12.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -297.477460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.477460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.477460 (E_RNA) where: Base-Base interactions energy: -211.960 where: short stacking energy: -98.409 Base-Backbone interact. energy: -0.485 local terms energy: -85.032679 where: bonds (distance) C4'-P energy: -15.702 bonds (distance) P-C4' energy: -16.357 flat angles C4'-P-C4' energy: -17.273 flat angles P-C4'-P energy: -12.678 tors. eta vs tors. theta energy: -23.023 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: 4 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -287.376830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.376830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.376830 (E_RNA) where: Base-Base interactions energy: -201.068 where: short stacking energy: -92.912 Base-Backbone interact. energy: 0.778 local terms energy: -87.086062 where: bonds (distance) C4'-P energy: -19.382 bonds (distance) P-C4' energy: -14.406 flat angles C4'-P-C4' energy: -20.409 flat angles P-C4'-P energy: -10.082 tors. eta vs tors. theta energy: -22.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -275.368294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.368294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.368294 (E_RNA) where: Base-Base interactions energy: -195.058 where: short stacking energy: -86.610 Base-Backbone interact. energy: -0.457 local terms energy: -79.853130 where: bonds (distance) C4'-P energy: -9.483 bonds (distance) P-C4' energy: -20.313 flat angles C4'-P-C4' energy: -16.097 flat angles P-C4'-P energy: -12.713 tors. eta vs tors. theta energy: -21.246 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: 187 Temperature: 1.050000 Total energy: -233.216148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.216148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.216148 (E_RNA) where: Base-Base interactions energy: -145.731 where: short stacking energy: -67.711 Base-Backbone interact. energy: -0.389 local terms energy: -87.095950 where: bonds (distance) C4'-P energy: -17.559 bonds (distance) P-C4' energy: -17.910 flat angles C4'-P-C4' energy: -16.758 flat angles P-C4'-P energy: -14.905 tors. eta vs tors. theta energy: -19.963 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: 1 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -242.470791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.470791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.470791 (E_RNA) where: Base-Base interactions energy: -167.525 where: short stacking energy: -80.755 Base-Backbone interact. energy: -0.248 local terms energy: -74.697791 where: bonds (distance) C4'-P energy: -14.760 bonds (distance) P-C4' energy: -10.652 flat angles C4'-P-C4' energy: -19.138 flat angles P-C4'-P energy: -9.865 tors. eta vs tors. theta energy: -20.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -252.165882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.165882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.165882 (E_RNA) where: Base-Base interactions energy: -176.196 where: short stacking energy: -82.158 Base-Backbone interact. energy: -0.758 local terms energy: -75.212159 where: bonds (distance) C4'-P energy: -9.029 bonds (distance) P-C4' energy: -18.257 flat angles C4'-P-C4' energy: -16.799 flat angles P-C4'-P energy: -11.599 tors. eta vs tors. theta energy: -19.528 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: 10 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -202.653943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.653943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.653943 (E_RNA) where: Base-Base interactions energy: -131.700 where: short stacking energy: -57.638 Base-Backbone interact. energy: 0.140 local terms energy: -71.093671 where: bonds (distance) C4'-P energy: -16.509 bonds (distance) P-C4' energy: -16.746 flat angles C4'-P-C4' energy: -16.521 flat angles P-C4'-P energy: -11.835 tors. eta vs tors. theta energy: -9.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -207.154912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.154912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.154912 (E_RNA) where: Base-Base interactions energy: -139.671 where: short stacking energy: -57.735 Base-Backbone interact. energy: -0.477 local terms energy: -67.006743 where: bonds (distance) C4'-P energy: -15.328 bonds (distance) P-C4' energy: -16.731 flat angles C4'-P-C4' energy: -15.414 flat angles P-C4'-P energy: -8.828 tors. eta vs tors. theta energy: -10.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -193.378217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.378217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.378217 (E_RNA) where: Base-Base interactions energy: -127.970 where: short stacking energy: -58.589 Base-Backbone interact. energy: -0.723 local terms energy: -64.685533 where: bonds (distance) C4'-P energy: -14.260 bonds (distance) P-C4' energy: -14.268 flat angles C4'-P-C4' energy: -13.954 flat angles P-C4'-P energy: -9.198 tors. eta vs tors. theta energy: -13.006 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: 9 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -196.180676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.180676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.180676 (E_RNA) where: Base-Base interactions energy: -128.545 where: short stacking energy: -63.720 Base-Backbone interact. energy: 0.292 local terms energy: -67.927348 where: bonds (distance) C4'-P energy: -13.270 bonds (distance) P-C4' energy: -12.235 flat angles C4'-P-C4' energy: -17.373 flat angles P-C4'-P energy: -8.683 tors. eta vs tors. theta energy: -16.365 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: 4 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -288.720755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.720755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.720755 (E_RNA) where: Base-Base interactions energy: -200.621 where: short stacking energy: -91.607 Base-Backbone interact. energy: -0.135 local terms energy: -87.964752 where: bonds (distance) C4'-P energy: -16.947 bonds (distance) P-C4' energy: -17.952 flat angles C4'-P-C4' energy: -20.103 flat angles P-C4'-P energy: -10.715 tors. eta vs tors. theta energy: -22.247 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: 3 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -273.399600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.399600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.399600 (E_RNA) where: Base-Base interactions energy: -192.646 where: short stacking energy: -85.823 Base-Backbone interact. energy: -0.217 local terms energy: -80.536957 where: bonds (distance) C4'-P energy: -11.976 bonds (distance) P-C4' energy: -19.697 flat angles C4'-P-C4' energy: -17.879 flat angles P-C4'-P energy: -12.859 tors. eta vs tors. theta energy: -18.126 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: 188 Temperature: 1.000000 Total energy: -255.960191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.960191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.960191 (E_RNA) where: Base-Base interactions energy: -168.744 where: short stacking energy: -88.569 Base-Backbone interact. energy: -0.289 local terms energy: -86.926648 where: bonds (distance) C4'-P energy: -15.860 bonds (distance) P-C4' energy: -16.514 flat angles C4'-P-C4' energy: -21.006 flat angles P-C4'-P energy: -12.422 tors. eta vs tors. theta energy: -21.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -264.926758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.926758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.926758 (E_RNA) where: Base-Base interactions energy: -187.335 where: short stacking energy: -78.545 Base-Backbone interact. energy: 0.067 local terms energy: -77.658986 where: bonds (distance) C4'-P energy: -13.979 bonds (distance) P-C4' energy: -12.558 flat angles C4'-P-C4' energy: -18.914 flat angles P-C4'-P energy: -12.250 tors. eta vs tors. theta energy: -19.958 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: 7 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -267.211362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.211362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.211362 (E_RNA) where: Base-Base interactions energy: -188.786 where: short stacking energy: -86.136 Base-Backbone interact. energy: -1.999 local terms energy: -76.426463 where: bonds (distance) C4'-P energy: -15.995 bonds (distance) P-C4' energy: -19.355 flat angles C4'-P-C4' energy: -14.256 flat angles P-C4'-P energy: -7.509 tors. eta vs tors. theta energy: -19.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -236.995154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.995154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.995154 (E_RNA) where: Base-Base interactions energy: -157.037 where: short stacking energy: -77.700 Base-Backbone interact. energy: -0.595 local terms energy: -79.363123 where: bonds (distance) C4'-P energy: -16.239 bonds (distance) P-C4' energy: -16.273 flat angles C4'-P-C4' energy: -17.310 flat angles P-C4'-P energy: -8.872 tors. eta vs tors. theta energy: -20.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -220.775501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.775501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.775501 (E_RNA) where: Base-Base interactions energy: -150.022 where: short stacking energy: -69.502 Base-Backbone interact. energy: 1.085 local terms energy: -71.838556 where: bonds (distance) C4'-P energy: -18.161 bonds (distance) P-C4' energy: -13.819 flat angles C4'-P-C4' energy: -14.428 flat angles P-C4'-P energy: -7.990 tors. eta vs tors. theta energy: -17.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -199.633349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.633349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.633349 (E_RNA) where: Base-Base interactions energy: -129.644 where: short stacking energy: -63.653 Base-Backbone interact. energy: -0.136 local terms energy: -69.853121 where: bonds (distance) C4'-P energy: -8.551 bonds (distance) P-C4' energy: -17.378 flat angles C4'-P-C4' energy: -18.291 flat angles P-C4'-P energy: -10.272 tors. eta vs tors. theta energy: -15.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -209.636645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.636645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.636645 (E_RNA) where: Base-Base interactions energy: -137.940 where: short stacking energy: -56.804 Base-Backbone interact. energy: -0.248 local terms energy: -71.448563 where: bonds (distance) C4'-P energy: -14.249 bonds (distance) P-C4' energy: -18.100 flat angles C4'-P-C4' energy: -16.081 flat angles P-C4'-P energy: -10.113 tors. eta vs tors. theta energy: -12.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -202.643679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.643679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.643679 (E_RNA) where: Base-Base interactions energy: -138.307 where: short stacking energy: -59.307 Base-Backbone interact. energy: 0.183 local terms energy: -64.519173 where: bonds (distance) C4'-P energy: -10.605 bonds (distance) P-C4' energy: -16.569 flat angles C4'-P-C4' energy: -16.004 flat angles P-C4'-P energy: -7.470 tors. eta vs tors. theta energy: -13.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -288.277185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.277185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.277185 (E_RNA) where: Base-Base interactions energy: -213.377 where: short stacking energy: -88.452 Base-Backbone interact. energy: -0.854 local terms energy: -74.045902 where: bonds (distance) C4'-P energy: -16.405 bonds (distance) P-C4' energy: -16.421 flat angles C4'-P-C4' energy: -16.104 flat angles P-C4'-P energy: -5.058 tors. eta vs tors. theta energy: -20.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -282.955542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.955542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.955542 (E_RNA) where: Base-Base interactions energy: -201.136 where: short stacking energy: -86.328 Base-Backbone interact. energy: -0.794 local terms energy: -81.025780 where: bonds (distance) C4'-P energy: -13.700 bonds (distance) P-C4' energy: -16.731 flat angles C4'-P-C4' energy: -18.002 flat angles P-C4'-P energy: -12.350 tors. eta vs tors. theta energy: -20.242 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: 3, replica: 5 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -256.652440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.652440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.652440 (E_RNA) where: Base-Base interactions energy: -166.545 where: short stacking energy: -86.250 Base-Backbone interact. energy: -0.019 local terms energy: -90.088130 where: bonds (distance) C4'-P energy: -20.209 bonds (distance) P-C4' energy: -17.814 flat angles C4'-P-C4' energy: -18.639 flat angles P-C4'-P energy: -10.870 tors. eta vs tors. theta energy: -22.556 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: 189 Temperature: 1.050000 Total energy: -267.377300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.377300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.377300 (E_RNA) where: Base-Base interactions energy: -190.220 where: short stacking energy: -83.231 Base-Backbone interact. energy: -0.291 local terms energy: -76.866905 where: bonds (distance) C4'-P energy: -14.922 bonds (distance) P-C4' energy: -17.671 flat angles C4'-P-C4' energy: -18.177 flat angles P-C4'-P energy: -7.276 tors. eta vs tors. theta energy: -18.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -268.279860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.279860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.279860 (E_RNA) where: Base-Base interactions energy: -188.430 where: short stacking energy: -90.548 Base-Backbone interact. energy: -0.088 local terms energy: -79.762214 where: bonds (distance) C4'-P energy: -14.480 bonds (distance) P-C4' energy: -13.999 flat angles C4'-P-C4' energy: -17.462 flat angles P-C4'-P energy: -11.096 tors. eta vs tors. theta energy: -22.725 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: 10 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -213.313500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.313500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.313500 (E_RNA) where: Base-Base interactions energy: -142.094 where: short stacking energy: -65.176 Base-Backbone interact. energy: 0.130 local terms energy: -71.349257 where: bonds (distance) C4'-P energy: -13.369 bonds (distance) P-C4' energy: -12.794 flat angles C4'-P-C4' energy: -18.313 flat angles P-C4'-P energy: -11.406 tors. eta vs tors. theta energy: -15.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -217.676604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.676604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.676604 (E_RNA) where: Base-Base interactions energy: -145.960 where: short stacking energy: -72.619 Base-Backbone interact. energy: -0.076 local terms energy: -71.640713 where: bonds (distance) C4'-P energy: -18.260 bonds (distance) P-C4' energy: -12.234 flat angles C4'-P-C4' energy: -12.194 flat angles P-C4'-P energy: -12.612 tors. eta vs tors. theta energy: -16.340 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: 9 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -190.614862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.614862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.614862 (E_RNA) where: Base-Base interactions energy: -125.128 where: short stacking energy: -60.138 Base-Backbone interact. energy: -0.707 local terms energy: -64.780619 where: bonds (distance) C4'-P energy: -11.958 bonds (distance) P-C4' energy: -14.547 flat angles C4'-P-C4' energy: -17.633 flat angles P-C4'-P energy: -9.288 tors. eta vs tors. theta energy: -11.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -213.622533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.622533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.622533 (E_RNA) where: Base-Base interactions energy: -151.640 where: short stacking energy: -72.138 Base-Backbone interact. energy: -0.031 local terms energy: -61.950638 where: bonds (distance) C4'-P energy: -13.002 bonds (distance) P-C4' energy: -15.855 flat angles C4'-P-C4' energy: -7.498 flat angles P-C4'-P energy: -11.788 tors. eta vs tors. theta energy: -13.807 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: 6 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -212.116886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.116886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.116886 (E_RNA) where: Base-Base interactions energy: -143.737 where: short stacking energy: -63.259 Base-Backbone interact. energy: -0.263 local terms energy: -68.116841 where: bonds (distance) C4'-P energy: -13.499 bonds (distance) P-C4' energy: -18.330 flat angles C4'-P-C4' energy: -12.225 flat angles P-C4'-P energy: -10.660 tors. eta vs tors. theta energy: -13.402 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: 1, replica: 4 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -288.182108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.182108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.182108 (E_RNA) where: Base-Base interactions energy: -199.090 where: short stacking energy: -85.218 Base-Backbone interact. energy: -1.281 local terms energy: -87.811238 where: bonds (distance) C4'-P energy: -16.364 bonds (distance) P-C4' energy: -17.325 flat angles C4'-P-C4' energy: -19.811 flat angles P-C4'-P energy: -9.527 tors. eta vs tors. theta energy: -24.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -282.528728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.528728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.528728 (E_RNA) where: Base-Base interactions energy: -202.597 where: short stacking energy: -88.878 Base-Backbone interact. energy: -1.148 local terms energy: -78.783736 where: bonds (distance) C4'-P energy: -11.436 bonds (distance) P-C4' energy: -17.156 flat angles C4'-P-C4' energy: -19.668 flat angles P-C4'-P energy: -13.172 tors. eta vs tors. theta energy: -17.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -284.093214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.093214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.093214 (E_RNA) where: Base-Base interactions energy: -204.380 where: short stacking energy: -91.539 Base-Backbone interact. energy: -0.752 local terms energy: -78.960722 where: bonds (distance) C4'-P energy: -16.767 bonds (distance) P-C4' energy: -15.569 flat angles C4'-P-C4' energy: -13.403 flat angles P-C4'-P energy: -11.540 tors. eta vs tors. theta energy: -21.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -236.715390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.715390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.715390 (E_RNA) where: Base-Base interactions energy: -161.781 where: short stacking energy: -87.176 Base-Backbone interact. energy: -0.535 local terms energy: -74.398849 where: bonds (distance) C4'-P energy: -16.646 bonds (distance) P-C4' energy: -17.504 flat angles C4'-P-C4' energy: -13.847 flat angles P-C4'-P energy: -11.377 tors. eta vs tors. theta energy: -15.025 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: 5, replica: 2 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -269.889875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.889875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.889875 (E_RNA) where: Base-Base interactions energy: -189.206 where: short stacking energy: -83.420 Base-Backbone interact. energy: -1.674 local terms energy: -79.009746 where: bonds (distance) C4'-P energy: -13.648 bonds (distance) P-C4' energy: -17.006 flat angles C4'-P-C4' energy: -17.718 flat angles P-C4'-P energy: -8.319 tors. eta vs tors. theta energy: -22.318 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: 10 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -227.977504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.977504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.977504 (E_RNA) where: Base-Base interactions energy: -152.666 where: short stacking energy: -73.426 Base-Backbone interact. energy: -0.617 local terms energy: -74.693982 where: bonds (distance) C4'-P energy: -11.602 bonds (distance) P-C4' energy: -19.468 flat angles C4'-P-C4' energy: -14.345 flat angles P-C4'-P energy: -12.995 tors. eta vs tors. theta energy: -16.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -206.085600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.085600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.085600 (E_RNA) where: Base-Base interactions energy: -135.264 where: short stacking energy: -60.034 Base-Backbone interact. energy: -0.841 local terms energy: -69.980265 where: bonds (distance) C4'-P energy: -14.437 bonds (distance) P-C4' energy: -18.996 flat angles C4'-P-C4' energy: -14.644 flat angles P-C4'-P energy: -7.982 tors. eta vs tors. theta energy: -13.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -212.155888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.155888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.155888 (E_RNA) where: Base-Base interactions energy: -140.382 where: short stacking energy: -63.836 Base-Backbone interact. energy: -0.015 local terms energy: -71.759269 where: bonds (distance) C4'-P energy: -13.892 bonds (distance) P-C4' energy: -19.435 flat angles C4'-P-C4' energy: -12.866 flat angles P-C4'-P energy: -5.901 tors. eta vs tors. theta energy: -19.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -216.095461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.095461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.095461 (E_RNA) where: Base-Base interactions energy: -155.186 where: short stacking energy: -62.447 Base-Backbone interact. energy: 2.401 local terms energy: -63.310700 where: bonds (distance) C4'-P energy: -12.990 bonds (distance) P-C4' energy: -16.137 flat angles C4'-P-C4' energy: -14.653 flat angles P-C4'-P energy: -10.586 tors. eta vs tors. theta energy: -8.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -193.886221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.886221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.886221 (E_RNA) where: Base-Base interactions energy: -131.231 where: short stacking energy: -57.488 Base-Backbone interact. energy: -0.371 local terms energy: -62.284564 where: bonds (distance) C4'-P energy: -13.838 bonds (distance) P-C4' energy: -15.812 flat angles C4'-P-C4' energy: -14.372 flat angles P-C4'-P energy: -7.641 tors. eta vs tors. theta energy: -10.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -289.654382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.654382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.654382 (E_RNA) where: Base-Base interactions energy: -200.800 where: short stacking energy: -82.614 Base-Backbone interact. energy: -1.503 local terms energy: -87.351392 where: bonds (distance) C4'-P energy: -19.202 bonds (distance) P-C4' energy: -20.334 flat angles C4'-P-C4' energy: -17.808 flat angles P-C4'-P energy: -7.666 tors. eta vs tors. theta energy: -22.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -301.600238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.600238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.600238 (E_RNA) where: Base-Base interactions energy: -214.238 where: short stacking energy: -95.377 Base-Backbone interact. energy: -0.656 local terms energy: -86.706398 where: bonds (distance) C4'-P energy: -19.033 bonds (distance) P-C4' energy: -20.454 flat angles C4'-P-C4' energy: -17.155 flat angles P-C4'-P energy: -8.748 tors. eta vs tors. theta energy: -21.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -271.997564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.997564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.997564 (E_RNA) where: Base-Base interactions energy: -192.213 where: short stacking energy: -86.265 Base-Backbone interact. energy: -0.772 local terms energy: -79.012793 where: bonds (distance) C4'-P energy: -16.748 bonds (distance) P-C4' energy: -14.445 flat angles C4'-P-C4' energy: -19.318 flat angles P-C4'-P energy: -10.652 tors. eta vs tors. theta energy: -17.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -279.959061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.959061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.959061 (E_RNA) where: Base-Base interactions energy: -197.294 where: short stacking energy: -83.917 Base-Backbone interact. energy: -1.372 local terms energy: -81.292875 where: bonds (distance) C4'-P energy: -17.278 bonds (distance) P-C4' energy: -14.332 flat angles C4'-P-C4' energy: -18.099 flat angles P-C4'-P energy: -7.421 tors. eta vs tors. theta energy: -24.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -260.323516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.323516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.323516 (E_RNA) where: Base-Base interactions energy: -184.091 where: short stacking energy: -89.232 Base-Backbone interact. energy: 0.641 local terms energy: -76.873237 where: bonds (distance) C4'-P energy: -13.744 bonds (distance) P-C4' energy: -16.414 flat angles C4'-P-C4' energy: -17.237 flat angles P-C4'-P energy: -8.390 tors. eta vs tors. theta energy: -21.089 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: 10 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -226.326871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.326871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.326871 (E_RNA) where: Base-Base interactions energy: -149.308 where: short stacking energy: -67.787 Base-Backbone interact. energy: -0.286 local terms energy: -76.733185 where: bonds (distance) C4'-P energy: -14.095 bonds (distance) P-C4' energy: -21.318 flat angles C4'-P-C4' energy: -16.158 flat angles P-C4'-P energy: -9.130 tors. eta vs tors. theta energy: -16.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -214.115126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.115126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.115126 (E_RNA) where: Base-Base interactions energy: -143.302 where: short stacking energy: -63.169 Base-Backbone interact. energy: -0.025 local terms energy: -70.788511 where: bonds (distance) C4'-P energy: -15.878 bonds (distance) P-C4' energy: -15.290 flat angles C4'-P-C4' energy: -12.348 flat angles P-C4'-P energy: -11.522 tors. eta vs tors. theta energy: -15.751 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: 8, replica: 6 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -219.887671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.887671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.887671 (E_RNA) where: Base-Base interactions energy: -148.548 where: short stacking energy: -69.970 Base-Backbone interact. energy: -0.087 local terms energy: -71.252270 where: bonds (distance) C4'-P energy: -15.874 bonds (distance) P-C4' energy: -14.005 flat angles C4'-P-C4' energy: -18.680 flat angles P-C4'-P energy: -5.777 tors. eta vs tors. theta energy: -16.916 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: 1 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -205.888162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.888162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.888162 (E_RNA) where: Base-Base interactions energy: -124.485 where: short stacking energy: -68.835 Base-Backbone interact. energy: -0.049 local terms energy: -81.354244 where: bonds (distance) C4'-P energy: -17.580 bonds (distance) P-C4' energy: -17.594 flat angles C4'-P-C4' energy: -17.480 flat angles P-C4'-P energy: -9.499 tors. eta vs tors. theta energy: -19.201 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: 8 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -204.142557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.142557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.142557 (E_RNA) where: Base-Base interactions energy: -129.397 where: short stacking energy: -59.365 Base-Backbone interact. energy: -0.635 local terms energy: -74.110330 where: bonds (distance) C4'-P energy: -14.911 bonds (distance) P-C4' energy: -18.134 flat angles C4'-P-C4' energy: -17.433 flat angles P-C4'-P energy: -8.091 tors. eta vs tors. theta energy: -15.541 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: 4 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -275.171313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.171313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.171313 (E_RNA) where: Base-Base interactions energy: -193.391 where: short stacking energy: -76.726 Base-Backbone interact. energy: -1.249 local terms energy: -80.531164 where: bonds (distance) C4'-P energy: -19.195 bonds (distance) P-C4' energy: -14.017 flat angles C4'-P-C4' energy: -19.390 flat angles P-C4'-P energy: -9.314 tors. eta vs tors. theta energy: -18.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -287.979194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.979194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.979194 (E_RNA) where: Base-Base interactions energy: -202.671 where: short stacking energy: -91.210 Base-Backbone interact. energy: -0.729 local terms energy: -84.578849 where: bonds (distance) C4'-P energy: -14.657 bonds (distance) P-C4' energy: -18.234 flat angles C4'-P-C4' energy: -19.022 flat angles P-C4'-P energy: -12.393 tors. eta vs tors. theta energy: -20.272 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: 3 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -263.542065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.542065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.542065 (E_RNA) where: Base-Base interactions energy: -182.703 where: short stacking energy: -83.452 Base-Backbone interact. energy: -0.731 local terms energy: -80.107850 where: bonds (distance) C4'-P energy: -16.834 bonds (distance) P-C4' energy: -16.381 flat angles C4'-P-C4' energy: -15.538 flat angles P-C4'-P energy: -9.899 tors. eta vs tors. theta energy: -21.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -277.465655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.465655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.465655 (E_RNA) where: Base-Base interactions energy: -197.593 where: short stacking energy: -89.267 Base-Backbone interact. energy: -0.948 local terms energy: -78.924473 where: bonds (distance) C4'-P energy: -12.874 bonds (distance) P-C4' energy: -17.589 flat angles C4'-P-C4' energy: -18.136 flat angles P-C4'-P energy: -6.327 tors. eta vs tors. theta energy: -23.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -261.233674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.233674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.233674 (E_RNA) where: Base-Base interactions energy: -183.684 where: short stacking energy: -82.492 Base-Backbone interact. energy: -1.088 local terms energy: -76.461635 where: bonds (distance) C4'-P energy: -16.295 bonds (distance) P-C4' energy: -12.895 flat angles C4'-P-C4' energy: -16.858 flat angles P-C4'-P energy: -10.800 tors. eta vs tors. theta energy: -19.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -240.320307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.320307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.320307 (E_RNA) where: Base-Base interactions energy: -170.753 where: short stacking energy: -78.969 Base-Backbone interact. energy: -0.814 local terms energy: -68.753953 where: bonds (distance) C4'-P energy: -8.423 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -16.374 flat angles P-C4'-P energy: -11.477 tors. eta vs tors. theta energy: -17.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -225.580344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.580344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.580344 (E_RNA) where: Base-Base interactions energy: -144.278 where: short stacking energy: -70.119 Base-Backbone interact. energy: -0.579 local terms energy: -80.723210 where: bonds (distance) C4'-P energy: -20.250 bonds (distance) P-C4' energy: -17.460 flat angles C4'-P-C4' energy: -16.770 flat angles P-C4'-P energy: -11.073 tors. eta vs tors. theta energy: -15.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -209.953657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.953657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.953657 (E_RNA) where: Base-Base interactions energy: -144.697 where: short stacking energy: -65.949 Base-Backbone interact. energy: 1.269 local terms energy: -66.525653 where: bonds (distance) C4'-P energy: -16.240 bonds (distance) P-C4' energy: -12.387 flat angles C4'-P-C4' energy: -13.612 flat angles P-C4'-P energy: -11.710 tors. eta vs tors. theta energy: -12.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -199.092596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.092596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.092596 (E_RNA) where: Base-Base interactions energy: -135.935 where: short stacking energy: -60.620 Base-Backbone interact. energy: 0.237 local terms energy: -63.394709 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -17.072 flat angles C4'-P-C4' energy: -11.275 flat angles P-C4'-P energy: -9.901 tors. eta vs tors. theta energy: -17.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -207.552791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.552791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.552791 (E_RNA) where: Base-Base interactions energy: -141.786 where: short stacking energy: -64.048 Base-Backbone interact. energy: -0.249 local terms energy: -65.517763 where: bonds (distance) C4'-P energy: -10.778 bonds (distance) P-C4' energy: -15.603 flat angles C4'-P-C4' energy: -16.755 flat angles P-C4'-P energy: -6.829 tors. eta vs tors. theta energy: -15.552 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: 193 Temperature: 0.900000 Total energy: -281.306374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.306374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.306374 (E_RNA) where: Base-Base interactions energy: -195.908 where: short stacking energy: -81.705 Base-Backbone interact. energy: -1.037 local terms energy: -84.361117 where: bonds (distance) C4'-P energy: -17.060 bonds (distance) P-C4' energy: -16.335 flat angles C4'-P-C4' energy: -19.806 flat angles P-C4'-P energy: -13.496 tors. eta vs tors. theta energy: -17.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -283.098916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.098916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.098916 (E_RNA) where: Base-Base interactions energy: -202.949 where: short stacking energy: -88.226 Base-Backbone interact. energy: -1.143 local terms energy: -79.006804 where: bonds (distance) C4'-P energy: -16.016 bonds (distance) P-C4' energy: -16.252 flat angles C4'-P-C4' energy: -15.671 flat angles P-C4'-P energy: -11.354 tors. eta vs tors. theta energy: -19.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -280.809828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.809828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.809828 (E_RNA) where: Base-Base interactions energy: -195.594 where: short stacking energy: -80.897 Base-Backbone interact. energy: -1.658 local terms energy: -83.558321 where: bonds (distance) C4'-P energy: -15.570 bonds (distance) P-C4' energy: -19.340 flat angles C4'-P-C4' energy: -18.608 flat angles P-C4'-P energy: -10.244 tors. eta vs tors. theta energy: -19.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -285.306029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.306029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.306029 (E_RNA) where: Base-Base interactions energy: -205.385 where: short stacking energy: -87.852 Base-Backbone interact. energy: -1.996 local terms energy: -77.925456 where: bonds (distance) C4'-P energy: -12.987 bonds (distance) P-C4' energy: -17.399 flat angles C4'-P-C4' energy: -15.185 flat angles P-C4'-P energy: -10.618 tors. eta vs tors. theta energy: -21.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -265.729138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.729138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.729138 (E_RNA) where: Base-Base interactions energy: -183.623 where: short stacking energy: -85.476 Base-Backbone interact. energy: 0.671 local terms energy: -82.777050 where: bonds (distance) C4'-P energy: -15.419 bonds (distance) P-C4' energy: -15.321 flat angles C4'-P-C4' energy: -20.871 flat angles P-C4'-P energy: -7.561 tors. eta vs tors. theta energy: -23.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -241.349977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.349977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.349977 (E_RNA) where: Base-Base interactions energy: -161.743 where: short stacking energy: -73.525 Base-Backbone interact. energy: -1.632 local terms energy: -77.975075 where: bonds (distance) C4'-P energy: -16.894 bonds (distance) P-C4' energy: -18.992 flat angles C4'-P-C4' energy: -17.409 flat angles P-C4'-P energy: -11.511 tors. eta vs tors. theta energy: -13.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -220.962810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.962810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.962810 (E_RNA) where: Base-Base interactions energy: -156.355 where: short stacking energy: -67.703 Base-Backbone interact. energy: -0.674 local terms energy: -63.933380 where: bonds (distance) C4'-P energy: -12.895 bonds (distance) P-C4' energy: -15.326 flat angles C4'-P-C4' energy: -15.321 flat angles P-C4'-P energy: -8.754 tors. eta vs tors. theta energy: -11.637 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: 1 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -207.380534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.380534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.380534 (E_RNA) where: Base-Base interactions energy: -144.201 where: short stacking energy: -66.134 Base-Backbone interact. energy: -0.571 local terms energy: -62.608002 where: bonds (distance) C4'-P energy: -11.868 bonds (distance) P-C4' energy: -14.705 flat angles C4'-P-C4' energy: -12.195 flat angles P-C4'-P energy: -11.398 tors. eta vs tors. theta energy: -12.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -209.773077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.773077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.773077 (E_RNA) where: Base-Base interactions energy: -147.204 where: short stacking energy: -63.176 Base-Backbone interact. energy: 0.476 local terms energy: -63.045263 where: bonds (distance) C4'-P energy: -13.518 bonds (distance) P-C4' energy: -16.571 flat angles C4'-P-C4' energy: -15.593 flat angles P-C4'-P energy: -4.198 tors. eta vs tors. theta energy: -13.166 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: 193 Temperature: 1.350000 Total energy: -190.674926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.674926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.674926 (E_RNA) where: Base-Base interactions energy: -125.478 where: short stacking energy: -53.064 Base-Backbone interact. energy: -0.034 local terms energy: -65.163205 where: bonds (distance) C4'-P energy: -10.725 bonds (distance) P-C4' energy: -18.446 flat angles C4'-P-C4' energy: -18.399 flat angles P-C4'-P energy: -8.766 tors. eta vs tors. theta energy: -8.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -290.550229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.550229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.550229 (E_RNA) where: Base-Base interactions energy: -207.832 where: short stacking energy: -90.928 Base-Backbone interact. energy: -0.712 local terms energy: -82.006367 where: bonds (distance) C4'-P energy: -14.786 bonds (distance) P-C4' energy: -17.051 flat angles C4'-P-C4' energy: -18.085 flat angles P-C4'-P energy: -10.875 tors. eta vs tors. theta energy: -21.210 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: 3 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -276.701216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.701216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.701216 (E_RNA) where: Base-Base interactions energy: -192.282 where: short stacking energy: -87.376 Base-Backbone interact. energy: 0.483 local terms energy: -84.902591 where: bonds (distance) C4'-P energy: -16.657 bonds (distance) P-C4' energy: -17.684 flat angles C4'-P-C4' energy: -18.092 flat angles P-C4'-P energy: -11.364 tors. eta vs tors. theta energy: -21.106 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: 7 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -267.860707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.860707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.860707 (E_RNA) where: Base-Base interactions energy: -191.132 where: short stacking energy: -75.406 Base-Backbone interact. energy: -0.447 local terms energy: -76.280738 where: bonds (distance) C4'-P energy: -16.020 bonds (distance) P-C4' energy: -18.199 flat angles C4'-P-C4' energy: -16.982 flat angles P-C4'-P energy: -8.476 tors. eta vs tors. theta energy: -16.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -262.268354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.268354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.268354 (E_RNA) where: Base-Base interactions energy: -189.433 where: short stacking energy: -76.939 Base-Backbone interact. energy: -0.357 local terms energy: -72.477974 where: bonds (distance) C4'-P energy: -16.154 bonds (distance) P-C4' energy: -16.989 flat angles C4'-P-C4' energy: -11.101 flat angles P-C4'-P energy: -12.247 tors. eta vs tors. theta energy: -15.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -257.404220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.404220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.404220 (E_RNA) where: Base-Base interactions energy: -181.915 where: short stacking energy: -88.431 Base-Backbone interact. energy: -1.561 local terms energy: -73.928241 where: bonds (distance) C4'-P energy: -9.370 bonds (distance) P-C4' energy: -17.611 flat angles C4'-P-C4' energy: -18.418 flat angles P-C4'-P energy: -6.627 tors. eta vs tors. theta energy: -21.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -220.375845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.375845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.375845 (E_RNA) where: Base-Base interactions energy: -142.630 where: short stacking energy: -71.731 Base-Backbone interact. energy: -0.029 local terms energy: -77.716831 where: bonds (distance) C4'-P energy: -17.010 bonds (distance) P-C4' energy: -17.915 flat angles C4'-P-C4' energy: -17.584 flat angles P-C4'-P energy: -9.763 tors. eta vs tors. theta energy: -15.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -215.973191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.973191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.973191 (E_RNA) where: Base-Base interactions energy: -136.475 where: short stacking energy: -71.035 Base-Backbone interact. energy: -0.077 local terms energy: -79.420832 where: bonds (distance) C4'-P energy: -15.221 bonds (distance) P-C4' energy: -18.200 flat angles C4'-P-C4' energy: -16.129 flat angles P-C4'-P energy: -11.567 tors. eta vs tors. theta energy: -18.304 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: 9 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -229.947604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.947604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.947604 (E_RNA) where: Base-Base interactions energy: -151.267 where: short stacking energy: -77.587 Base-Backbone interact. energy: -0.703 local terms energy: -77.977867 where: bonds (distance) C4'-P energy: -15.808 bonds (distance) P-C4' energy: -10.287 flat angles C4'-P-C4' energy: -15.250 flat angles P-C4'-P energy: -13.421 tors. eta vs tors. theta energy: -23.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -188.902016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.902016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.902016 (E_RNA) where: Base-Base interactions energy: -130.717 where: short stacking energy: -55.648 Base-Backbone interact. energy: 0.362 local terms energy: -58.547584 where: bonds (distance) C4'-P energy: -15.633 bonds (distance) P-C4' energy: -18.315 flat angles C4'-P-C4' energy: -14.052 flat angles P-C4'-P energy: -1.073 tors. eta vs tors. theta energy: -9.474 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: 6 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -206.564329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.564329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.564329 (E_RNA) where: Base-Base interactions energy: -136.273 where: short stacking energy: -63.899 Base-Backbone interact. energy: -0.618 local terms energy: -69.673991 where: bonds (distance) C4'-P energy: -14.317 bonds (distance) P-C4' energy: -20.436 flat angles C4'-P-C4' energy: -15.336 flat angles P-C4'-P energy: -4.576 tors. eta vs tors. theta energy: -15.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -284.617991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.617991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.617991 (E_RNA) where: Base-Base interactions energy: -203.663 where: short stacking energy: -93.222 Base-Backbone interact. energy: 0.212 local terms energy: -81.166658 where: bonds (distance) C4'-P energy: -16.845 bonds (distance) P-C4' energy: -15.176 flat angles C4'-P-C4' energy: -16.946 flat angles P-C4'-P energy: -9.563 tors. eta vs tors. theta energy: -22.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -284.330933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.330933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.330933 (E_RNA) where: Base-Base interactions energy: -202.935 where: short stacking energy: -87.731 Base-Backbone interact. energy: -1.370 local terms energy: -80.026264 where: bonds (distance) C4'-P energy: -15.493 bonds (distance) P-C4' energy: -15.903 flat angles C4'-P-C4' energy: -16.145 flat angles P-C4'-P energy: -8.916 tors. eta vs tors. theta energy: -23.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -266.977381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.977381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.977381 (E_RNA) where: Base-Base interactions energy: -184.308 where: short stacking energy: -78.697 Base-Backbone interact. energy: -1.458 local terms energy: -81.211530 where: bonds (distance) C4'-P energy: -13.553 bonds (distance) P-C4' energy: -17.478 flat angles C4'-P-C4' energy: -19.439 flat angles P-C4'-P energy: -12.121 tors. eta vs tors. theta energy: -18.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -280.495789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.495789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.495789 (E_RNA) where: Base-Base interactions energy: -194.221 where: short stacking energy: -86.558 Base-Backbone interact. energy: -0.729 local terms energy: -85.546671 where: bonds (distance) C4'-P energy: -17.213 bonds (distance) P-C4' energy: -19.629 flat angles C4'-P-C4' energy: -16.558 flat angles P-C4'-P energy: -10.164 tors. eta vs tors. theta energy: -21.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -265.326324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.326324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.326324 (E_RNA) where: Base-Base interactions energy: -187.588 where: short stacking energy: -88.764 Base-Backbone interact. energy: -0.676 local terms energy: -77.063038 where: bonds (distance) C4'-P energy: -18.354 bonds (distance) P-C4' energy: -13.245 flat angles C4'-P-C4' energy: -16.979 flat angles P-C4'-P energy: -9.586 tors. eta vs tors. theta energy: -18.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -233.858629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.858629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.858629 (E_RNA) where: Base-Base interactions energy: -156.888 where: short stacking energy: -74.170 Base-Backbone interact. energy: -0.472 local terms energy: -76.498797 where: bonds (distance) C4'-P energy: -13.482 bonds (distance) P-C4' energy: -14.466 flat angles C4'-P-C4' energy: -19.711 flat angles P-C4'-P energy: -9.858 tors. eta vs tors. theta energy: -18.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -222.514926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.514926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.514926 (E_RNA) where: Base-Base interactions energy: -147.341 where: short stacking energy: -73.540 Base-Backbone interact. energy: 0.544 local terms energy: -75.718244 where: bonds (distance) C4'-P energy: -16.902 bonds (distance) P-C4' energy: -14.810 flat angles C4'-P-C4' energy: -16.504 flat angles P-C4'-P energy: -10.411 tors. eta vs tors. theta energy: -17.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -229.741866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.741866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.741866 (E_RNA) where: Base-Base interactions energy: -156.583 where: short stacking energy: -75.374 Base-Backbone interact. energy: -0.216 local terms energy: -72.942471 where: bonds (distance) C4'-P energy: -12.171 bonds (distance) P-C4' energy: -16.931 flat angles C4'-P-C4' energy: -15.894 flat angles P-C4'-P energy: -9.287 tors. eta vs tors. theta energy: -18.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -205.408141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.408141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.408141 (E_RNA) where: Base-Base interactions energy: -147.389 where: short stacking energy: -61.795 Base-Backbone interact. energy: -0.538 local terms energy: -57.481791 where: bonds (distance) C4'-P energy: -13.068 bonds (distance) P-C4' energy: -13.307 flat angles C4'-P-C4' energy: -11.071 flat angles P-C4'-P energy: -4.311 tors. eta vs tors. theta energy: -15.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -211.113015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.113015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.113015 (E_RNA) where: Base-Base interactions energy: -139.435 where: short stacking energy: -63.686 Base-Backbone interact. energy: -0.247 local terms energy: -71.430900 where: bonds (distance) C4'-P energy: -12.186 bonds (distance) P-C4' energy: -18.141 flat angles C4'-P-C4' energy: -14.660 flat angles P-C4'-P energy: -9.586 tors. eta vs tors. theta energy: -16.857 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: 4 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -275.032865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.032865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.032865 (E_RNA) where: Base-Base interactions energy: -192.154 where: short stacking energy: -79.346 Base-Backbone interact. energy: 2.888 local terms energy: -85.767532 where: bonds (distance) C4'-P energy: -18.811 bonds (distance) P-C4' energy: -20.331 flat angles C4'-P-C4' energy: -20.069 flat angles P-C4'-P energy: -6.816 tors. eta vs tors. theta energy: -19.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -284.322178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.322178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.322178 (E_RNA) where: Base-Base interactions energy: -199.773 where: short stacking energy: -83.680 Base-Backbone interact. energy: -0.856 local terms energy: -83.693424 where: bonds (distance) C4'-P energy: -12.256 bonds (distance) P-C4' energy: -17.737 flat angles C4'-P-C4' energy: -17.416 flat angles P-C4'-P energy: -13.950 tors. eta vs tors. theta energy: -22.335 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: 196 Temperature: 1.000000 Total energy: -270.755948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.755948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.755948 (E_RNA) where: Base-Base interactions energy: -185.269 where: short stacking energy: -88.526 Base-Backbone interact. energy: 0.658 local terms energy: -86.144679 where: bonds (distance) C4'-P energy: -18.445 bonds (distance) P-C4' energy: -14.809 flat angles C4'-P-C4' energy: -19.354 flat angles P-C4'-P energy: -13.964 tors. eta vs tors. theta energy: -19.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -275.324911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.324911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.324911 (E_RNA) where: Base-Base interactions energy: -200.252 where: short stacking energy: -77.152 Base-Backbone interact. energy: -0.939 local terms energy: -74.133930 where: bonds (distance) C4'-P energy: -17.904 bonds (distance) P-C4' energy: -12.379 flat angles C4'-P-C4' energy: -16.836 flat angles P-C4'-P energy: -8.848 tors. eta vs tors. theta energy: -18.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -266.348717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.348717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.348717 (E_RNA) where: Base-Base interactions energy: -190.036 where: short stacking energy: -87.637 Base-Backbone interact. energy: 0.700 local terms energy: -77.012901 where: bonds (distance) C4'-P energy: -12.330 bonds (distance) P-C4' energy: -17.827 flat angles C4'-P-C4' energy: -17.964 flat angles P-C4'-P energy: -11.448 tors. eta vs tors. theta energy: -17.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -226.361534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.361534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.361534 (E_RNA) where: Base-Base interactions energy: -154.510 where: short stacking energy: -70.447 Base-Backbone interact. energy: 0.505 local terms energy: -72.357137 where: bonds (distance) C4'-P energy: -9.777 bonds (distance) P-C4' energy: -18.625 flat angles C4'-P-C4' energy: -16.351 flat angles P-C4'-P energy: -9.948 tors. eta vs tors. theta energy: -17.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -220.070288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.070288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.070288 (E_RNA) where: Base-Base interactions energy: -151.037 where: short stacking energy: -68.485 Base-Backbone interact. energy: -0.481 local terms energy: -68.552011 where: bonds (distance) C4'-P energy: -17.282 bonds (distance) P-C4' energy: -16.383 flat angles C4'-P-C4' energy: -12.226 flat angles P-C4'-P energy: -7.993 tors. eta vs tors. theta energy: -14.669 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: 10 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -210.177282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.177282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.177282 (E_RNA) where: Base-Base interactions energy: -140.950 where: short stacking energy: -68.528 Base-Backbone interact. energy: -0.007 local terms energy: -69.219823 where: bonds (distance) C4'-P energy: -16.280 bonds (distance) P-C4' energy: -16.843 flat angles C4'-P-C4' energy: -15.021 flat angles P-C4'-P energy: -9.016 tors. eta vs tors. theta energy: -12.060 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: 6 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -213.635771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.635771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.635771 (E_RNA) where: Base-Base interactions energy: -138.679 where: short stacking energy: -63.136 Base-Backbone interact. energy: -0.111 local terms energy: -74.845275 where: bonds (distance) C4'-P energy: -17.601 bonds (distance) P-C4' energy: -17.247 flat angles C4'-P-C4' energy: -16.014 flat angles P-C4'-P energy: -10.452 tors. eta vs tors. theta energy: -13.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -182.991621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.991621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.991621 (E_RNA) where: Base-Base interactions energy: -120.944 where: short stacking energy: -47.778 Base-Backbone interact. energy: -0.637 local terms energy: -61.411086 where: bonds (distance) C4'-P energy: -14.786 bonds (distance) P-C4' energy: -14.794 flat angles C4'-P-C4' energy: -18.561 flat angles P-C4'-P energy: -4.925 tors. eta vs tors. theta energy: -8.346 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: 4 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -278.190893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.190893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.190893 (E_RNA) where: Base-Base interactions energy: -199.512 where: short stacking energy: -82.024 Base-Backbone interact. energy: 2.017 local terms energy: -80.695981 where: bonds (distance) C4'-P energy: -17.982 bonds (distance) P-C4' energy: -16.874 flat angles C4'-P-C4' energy: -16.741 flat angles P-C4'-P energy: -10.588 tors. eta vs tors. theta energy: -18.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -281.669886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.669886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.669886 (E_RNA) where: Base-Base interactions energy: -204.441 where: short stacking energy: -95.410 Base-Backbone interact. energy: -1.368 local terms energy: -75.861516 where: bonds (distance) C4'-P energy: -17.626 bonds (distance) P-C4' energy: -10.809 flat angles C4'-P-C4' energy: -16.957 flat angles P-C4'-P energy: -7.992 tors. eta vs tors. theta energy: -22.477 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: 3 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -276.914805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.914805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.914805 (E_RNA) where: Base-Base interactions energy: -191.266 where: short stacking energy: -82.244 Base-Backbone interact. energy: -0.479 local terms energy: -85.169900 where: bonds (distance) C4'-P energy: -19.034 bonds (distance) P-C4' energy: -17.138 flat angles C4'-P-C4' energy: -16.353 flat angles P-C4'-P energy: -12.937 tors. eta vs tors. theta energy: -19.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -265.437187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.437187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.437187 (E_RNA) where: Base-Base interactions energy: -181.619 where: short stacking energy: -81.531 Base-Backbone interact. energy: 0.044 local terms energy: -83.862169 where: bonds (distance) C4'-P energy: -17.266 bonds (distance) P-C4' energy: -19.464 flat angles C4'-P-C4' energy: -16.544 flat angles P-C4'-P energy: -12.545 tors. eta vs tors. theta energy: -18.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -262.717013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.717013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.717013 (E_RNA) where: Base-Base interactions energy: -184.145 where: short stacking energy: -79.836 Base-Backbone interact. energy: -1.211 local terms energy: -77.361670 where: bonds (distance) C4'-P energy: -17.379 bonds (distance) P-C4' energy: -15.161 flat angles C4'-P-C4' energy: -17.336 flat angles P-C4'-P energy: -9.461 tors. eta vs tors. theta energy: -18.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -233.502821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.502821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.502821 (E_RNA) where: Base-Base interactions energy: -161.850 where: short stacking energy: -80.228 Base-Backbone interact. energy: 1.252 local terms energy: -72.904815 where: bonds (distance) C4'-P energy: -14.873 bonds (distance) P-C4' energy: -18.490 flat angles C4'-P-C4' energy: -16.650 flat angles P-C4'-P energy: -5.966 tors. eta vs tors. theta energy: -16.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -228.594413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.594413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.594413 (E_RNA) where: Base-Base interactions energy: -163.187 where: short stacking energy: -61.376 Base-Backbone interact. energy: -0.301 local terms energy: -65.106236 where: bonds (distance) C4'-P energy: -10.431 bonds (distance) P-C4' energy: -16.437 flat angles C4'-P-C4' energy: -13.768 flat angles P-C4'-P energy: -10.212 tors. eta vs tors. theta energy: -14.258 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: 6 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -217.332934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.332934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.332934 (E_RNA) where: Base-Base interactions energy: -149.717 where: short stacking energy: -70.728 Base-Backbone interact. energy: -0.609 local terms energy: -67.006923 where: bonds (distance) C4'-P energy: -16.959 bonds (distance) P-C4' energy: -14.188 flat angles C4'-P-C4' energy: -10.180 flat angles P-C4'-P energy: -10.380 tors. eta vs tors. theta energy: -15.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -198.561595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.561595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.561595 (E_RNA) where: Base-Base interactions energy: -132.111 where: short stacking energy: -60.203 Base-Backbone interact. energy: 1.212 local terms energy: -67.662578 where: bonds (distance) C4'-P energy: -11.553 bonds (distance) P-C4' energy: -17.495 flat angles C4'-P-C4' energy: -15.144 flat angles P-C4'-P energy: -7.091 tors. eta vs tors. theta energy: -16.381 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: 8 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -186.463078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.463078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.463078 (E_RNA) where: Base-Base interactions energy: -122.555 where: short stacking energy: -58.682 Base-Backbone interact. energy: -0.899 local terms energy: -63.009628 where: bonds (distance) C4'-P energy: -15.258 bonds (distance) P-C4' energy: -10.605 flat angles C4'-P-C4' energy: -11.984 flat angles P-C4'-P energy: -11.766 tors. eta vs tors. theta energy: -13.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -277.265138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.265138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.265138 (E_RNA) where: Base-Base interactions energy: -202.550 where: short stacking energy: -92.074 Base-Backbone interact. energy: -1.270 local terms energy: -73.445177 where: bonds (distance) C4'-P energy: -15.379 bonds (distance) P-C4' energy: -15.589 flat angles C4'-P-C4' energy: -15.685 flat angles P-C4'-P energy: -5.513 tors. eta vs tors. theta energy: -21.280 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: 4 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -282.759644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.759644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.759644 (E_RNA) where: Base-Base interactions energy: -198.464 where: short stacking energy: -88.127 Base-Backbone interact. energy: -1.617 local terms energy: -82.678549 where: bonds (distance) C4'-P energy: -16.581 bonds (distance) P-C4' energy: -20.091 flat angles C4'-P-C4' energy: -19.384 flat angles P-C4'-P energy: -6.344 tors. eta vs tors. theta energy: -20.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -268.430858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.430858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.430858 (E_RNA) where: Base-Base interactions energy: -187.139 where: short stacking energy: -87.345 Base-Backbone interact. energy: -1.050 local terms energy: -80.241794 where: bonds (distance) C4'-P energy: -17.040 bonds (distance) P-C4' energy: -18.796 flat angles C4'-P-C4' energy: -15.501 flat angles P-C4'-P energy: -11.299 tors. eta vs tors. theta energy: -17.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -269.287799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.287799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.287799 (E_RNA) where: Base-Base interactions energy: -193.682 where: short stacking energy: -80.015 Base-Backbone interact. energy: -0.206 local terms energy: -75.400112 where: bonds (distance) C4'-P energy: -18.897 bonds (distance) P-C4' energy: -14.390 flat angles C4'-P-C4' energy: -14.570 flat angles P-C4'-P energy: -8.605 tors. eta vs tors. theta energy: -18.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -259.064512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.064512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.064512 (E_RNA) where: Base-Base interactions energy: -183.935 where: short stacking energy: -74.260 Base-Backbone interact. energy: -0.587 local terms energy: -74.542689 where: bonds (distance) C4'-P energy: -10.476 bonds (distance) P-C4' energy: -17.832 flat angles C4'-P-C4' energy: -16.789 flat angles P-C4'-P energy: -9.451 tors. eta vs tors. theta energy: -19.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -241.178632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.178632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.178632 (E_RNA) where: Base-Base interactions energy: -162.358 where: short stacking energy: -75.569 Base-Backbone interact. energy: -0.147 local terms energy: -78.674223 where: bonds (distance) C4'-P energy: -14.745 bonds (distance) P-C4' energy: -19.375 flat angles C4'-P-C4' energy: -16.116 flat angles P-C4'-P energy: -8.654 tors. eta vs tors. theta energy: -19.785 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: 1 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -233.889871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.889871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.889871 (E_RNA) where: Base-Base interactions energy: -162.590 where: short stacking energy: -69.833 Base-Backbone interact. energy: -1.463 local terms energy: -69.837158 where: bonds (distance) C4'-P energy: -16.227 bonds (distance) P-C4' energy: -17.105 flat angles C4'-P-C4' energy: -12.858 flat angles P-C4'-P energy: -9.160 tors. eta vs tors. theta energy: -14.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -212.864798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.864798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.864798 (E_RNA) where: Base-Base interactions energy: -144.021 where: short stacking energy: -65.564 Base-Backbone interact. energy: -0.133 local terms energy: -68.710996 where: bonds (distance) C4'-P energy: -14.472 bonds (distance) P-C4' energy: -15.166 flat angles C4'-P-C4' energy: -16.397 flat angles P-C4'-P energy: -5.408 tors. eta vs tors. theta energy: -17.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -208.812796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.812796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.812796 (E_RNA) where: Base-Base interactions energy: -138.798 where: short stacking energy: -67.519 Base-Backbone interact. energy: -0.294 local terms energy: -69.720388 where: bonds (distance) C4'-P energy: -18.242 bonds (distance) P-C4' energy: -16.435 flat angles C4'-P-C4' energy: -13.556 flat angles P-C4'-P energy: -7.911 tors. eta vs tors. theta energy: -13.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -193.524074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.524074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.524074 (E_RNA) where: Base-Base interactions energy: -123.721 where: short stacking energy: -59.208 Base-Backbone interact. energy: -1.617 local terms energy: -68.186230 where: bonds (distance) C4'-P energy: -13.023 bonds (distance) P-C4' energy: -15.035 flat angles C4'-P-C4' energy: -15.532 flat angles P-C4'-P energy: -12.097 tors. eta vs tors. theta energy: -12.500 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: 7 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -288.665783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.665783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.665783 (E_RNA) where: Base-Base interactions energy: -214.549 where: short stacking energy: -91.185 Base-Backbone interact. energy: 0.015 local terms energy: -74.131817 where: bonds (distance) C4'-P energy: -10.469 bonds (distance) P-C4' energy: -18.110 flat angles C4'-P-C4' energy: -18.045 flat angles P-C4'-P energy: -7.210 tors. eta vs tors. theta energy: -20.297 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: 4 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -286.467624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.467624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.467624 (E_RNA) where: Base-Base interactions energy: -206.147 where: short stacking energy: -86.939 Base-Backbone interact. energy: -0.826 local terms energy: -79.494511 where: bonds (distance) C4'-P energy: -10.990 bonds (distance) P-C4' energy: -18.872 flat angles C4'-P-C4' energy: -18.547 flat angles P-C4'-P energy: -10.460 tors. eta vs tors. theta energy: -20.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -255.691870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.691870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.691870 (E_RNA) where: Base-Base interactions energy: -172.886 where: short stacking energy: -76.854 Base-Backbone interact. energy: -0.811 local terms energy: -81.995484 where: bonds (distance) C4'-P energy: -18.140 bonds (distance) P-C4' energy: -18.690 flat angles C4'-P-C4' energy: -17.949 flat angles P-C4'-P energy: -11.231 tors. eta vs tors. theta energy: -15.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -273.533526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.533526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.533526 (E_RNA) where: Base-Base interactions energy: -190.305 where: short stacking energy: -78.869 Base-Backbone interact. energy: -0.226 local terms energy: -83.002171 where: bonds (distance) C4'-P energy: -17.017 bonds (distance) P-C4' energy: -17.809 flat angles C4'-P-C4' energy: -16.403 flat angles P-C4'-P energy: -12.119 tors. eta vs tors. theta energy: -19.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -268.697509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.697509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.697509 (E_RNA) where: Base-Base interactions energy: -187.937 where: short stacking energy: -86.112 Base-Backbone interact. energy: -0.265 local terms energy: -80.495925 where: bonds (distance) C4'-P energy: -16.058 bonds (distance) P-C4' energy: -13.800 flat angles C4'-P-C4' energy: -17.397 flat angles P-C4'-P energy: -13.086 tors. eta vs tors. theta energy: -20.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -244.452988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.452988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.452988 (E_RNA) where: Base-Base interactions energy: -168.911 where: short stacking energy: -72.561 Base-Backbone interact. energy: -0.812 local terms energy: -74.730333 where: bonds (distance) C4'-P energy: -14.033 bonds (distance) P-C4' energy: -18.090 flat angles C4'-P-C4' energy: -16.725 flat angles P-C4'-P energy: -9.510 tors. eta vs tors. theta energy: -16.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -231.925590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.925590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.925590 (E_RNA) where: Base-Base interactions energy: -159.197 where: short stacking energy: -82.042 Base-Backbone interact. energy: -0.350 local terms energy: -72.379080 where: bonds (distance) C4'-P energy: -13.581 bonds (distance) P-C4' energy: -17.767 flat angles C4'-P-C4' energy: -13.743 flat angles P-C4'-P energy: -7.671 tors. eta vs tors. theta energy: -19.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -208.419408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.419408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.419408 (E_RNA) where: Base-Base interactions energy: -141.554 where: short stacking energy: -69.687 Base-Backbone interact. energy: -1.044 local terms energy: -65.821491 where: bonds (distance) C4'-P energy: -17.064 bonds (distance) P-C4' energy: -11.039 flat angles C4'-P-C4' energy: -15.529 flat angles P-C4'-P energy: -6.202 tors. eta vs tors. theta energy: -15.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -203.338648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.338648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.338648 (E_RNA) where: Base-Base interactions energy: -135.806 where: short stacking energy: -61.225 Base-Backbone interact. energy: -0.029 local terms energy: -67.504103 where: bonds (distance) C4'-P energy: -17.417 bonds (distance) P-C4' energy: -12.601 flat angles C4'-P-C4' energy: -11.522 flat angles P-C4'-P energy: -11.398 tors. eta vs tors. theta energy: -14.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -181.624651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.624651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.624651 (E_RNA) where: Base-Base interactions energy: -113.539 where: short stacking energy: -53.780 Base-Backbone interact. energy: -0.478 local terms energy: -67.607509 where: bonds (distance) C4'-P energy: -13.075 bonds (distance) P-C4' energy: -18.585 flat angles C4'-P-C4' energy: -16.757 flat angles P-C4'-P energy: -8.012 tors. eta vs tors. theta energy: -11.178 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: 4 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -291.243829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.243829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.243829 (E_RNA) where: Base-Base interactions energy: -209.660 where: short stacking energy: -96.167 Base-Backbone interact. energy: -0.396 local terms energy: -81.187443 where: bonds (distance) C4'-P energy: -20.669 bonds (distance) P-C4' energy: -15.070 flat angles C4'-P-C4' energy: -17.461 flat angles P-C4'-P energy: -6.686 tors. eta vs tors. theta energy: -21.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -280.734913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.734913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.734913 (E_RNA) where: Base-Base interactions energy: -210.812 where: short stacking energy: -86.549 Base-Backbone interact. energy: -1.244 local terms energy: -68.678716 where: bonds (distance) C4'-P energy: -16.899 bonds (distance) P-C4' energy: -16.490 flat angles C4'-P-C4' energy: -16.051 flat angles P-C4'-P energy: -1.585 tors. eta vs tors. theta energy: -17.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -278.095323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.095323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.095323 (E_RNA) where: Base-Base interactions energy: -203.118 where: short stacking energy: -87.950 Base-Backbone interact. energy: -1.508 local terms energy: -73.469746 where: bonds (distance) C4'-P energy: -14.423 bonds (distance) P-C4' energy: -16.470 flat angles C4'-P-C4' energy: -13.862 flat angles P-C4'-P energy: -6.545 tors. eta vs tors. theta energy: -22.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -262.378885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.378885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.378885 (E_RNA) where: Base-Base interactions energy: -189.477 where: short stacking energy: -86.756 Base-Backbone interact. energy: 1.219 local terms energy: -74.121087 where: bonds (distance) C4'-P energy: -10.362 bonds (distance) P-C4' energy: -17.839 flat angles C4'-P-C4' energy: -16.978 flat angles P-C4'-P energy: -8.612 tors. eta vs tors. theta energy: -20.329 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: 5, replica: 1 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -260.342934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.342934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.342934 (E_RNA) where: Base-Base interactions energy: -181.526 where: short stacking energy: -83.037 Base-Backbone interact. energy: -0.350 local terms energy: -78.467514 where: bonds (distance) C4'-P energy: -18.206 bonds (distance) P-C4' energy: -14.933 flat angles C4'-P-C4' energy: -19.267 flat angles P-C4'-P energy: -8.699 tors. eta vs tors. theta energy: -17.362 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: 6, replica: 2 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -262.346557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.346557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.346557 (E_RNA) where: Base-Base interactions energy: -185.996 where: short stacking energy: -84.559 Base-Backbone interact. energy: -1.147 local terms energy: -75.203777 where: bonds (distance) C4'-P energy: -16.463 bonds (distance) P-C4' energy: -16.435 flat angles C4'-P-C4' energy: -15.326 flat angles P-C4'-P energy: -8.042 tors. eta vs tors. theta energy: -18.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -213.087991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.087991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.087991 (E_RNA) where: Base-Base interactions energy: -140.158 where: short stacking energy: -63.701 Base-Backbone interact. energy: -0.419 local terms energy: -72.511493 where: bonds (distance) C4'-P energy: -11.693 bonds (distance) P-C4' energy: -19.049 flat angles C4'-P-C4' energy: -18.376 flat angles P-C4'-P energy: -8.891 tors. eta vs tors. theta energy: -14.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -207.310856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.310856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.310856 (E_RNA) where: Base-Base interactions energy: -141.447 where: short stacking energy: -63.748 Base-Backbone interact. energy: -0.314 local terms energy: -65.549761 where: bonds (distance) C4'-P energy: -13.258 bonds (distance) P-C4' energy: -16.728 flat angles C4'-P-C4' energy: -14.073 flat angles P-C4'-P energy: -10.531 tors. eta vs tors. theta energy: -10.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -202.406119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.406119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.406119 (E_RNA) where: Base-Base interactions energy: -133.109 where: short stacking energy: -61.284 Base-Backbone interact. energy: 1.194 local terms energy: -70.491469 where: bonds (distance) C4'-P energy: -14.852 bonds (distance) P-C4' energy: -11.696 flat angles C4'-P-C4' energy: -19.440 flat angles P-C4'-P energy: -11.274 tors. eta vs tors. theta energy: -13.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -203.715996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.715996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.715996 (E_RNA) where: Base-Base interactions energy: -138.214 where: short stacking energy: -64.471 Base-Backbone interact. energy: -0.047 local terms energy: -65.454954 where: bonds (distance) C4'-P energy: -15.407 bonds (distance) P-C4' energy: -8.044 flat angles C4'-P-C4' energy: -15.489 flat angles P-C4'-P energy: -10.799 tors. eta vs tors. theta energy: -15.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -286.482268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.482268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.482268 (E_RNA) where: Base-Base interactions energy: -201.825 where: short stacking energy: -94.083 Base-Backbone interact. energy: -0.061 local terms energy: -84.596189 where: bonds (distance) C4'-P energy: -19.572 bonds (distance) P-C4' energy: -18.646 flat angles C4'-P-C4' energy: -17.155 flat angles P-C4'-P energy: -7.320 tors. eta vs tors. theta energy: -21.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -287.327177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.327177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.327177 (E_RNA) where: Base-Base interactions energy: -205.420 where: short stacking energy: -87.013 Base-Backbone interact. energy: 1.870 local terms energy: -83.777434 where: bonds (distance) C4'-P energy: -16.624 bonds (distance) P-C4' energy: -14.603 flat angles C4'-P-C4' energy: -18.568 flat angles P-C4'-P energy: -12.174 tors. eta vs tors. theta energy: -21.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -279.718673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.718673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.718673 (E_RNA) where: Base-Base interactions energy: -202.232 where: short stacking energy: -89.162 Base-Backbone interact. energy: -0.553 local terms energy: -76.934177 where: bonds (distance) C4'-P energy: -17.622 bonds (distance) P-C4' energy: -17.882 flat angles C4'-P-C4' energy: -17.189 flat angles P-C4'-P energy: -6.116 tors. eta vs tors. theta energy: -18.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -268.518565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.518565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.518565 (E_RNA) where: Base-Base interactions energy: -177.770 where: short stacking energy: -77.244 Base-Backbone interact. energy: -1.654 local terms energy: -89.094752 where: bonds (distance) C4'-P energy: -17.532 bonds (distance) P-C4' energy: -18.109 flat angles C4'-P-C4' energy: -17.556 flat angles P-C4'-P energy: -13.030 tors. eta vs tors. theta energy: -22.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -235.225876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.225876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.225876 (E_RNA) where: Base-Base interactions energy: -160.877 where: short stacking energy: -77.534 Base-Backbone interact. energy: -0.029 local terms energy: -74.319421 where: bonds (distance) C4'-P energy: -17.265 bonds (distance) P-C4' energy: -10.708 flat angles C4'-P-C4' energy: -18.027 flat angles P-C4'-P energy: -9.474 tors. eta vs tors. theta energy: -18.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -249.667606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.667606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.667606 (E_RNA) where: Base-Base interactions energy: -174.035 where: short stacking energy: -76.272 Base-Backbone interact. energy: -0.529 local terms energy: -75.103123 where: bonds (distance) C4'-P energy: -16.250 bonds (distance) P-C4' energy: -14.517 flat angles C4'-P-C4' energy: -18.634 flat angles P-C4'-P energy: -7.718 tors. eta vs tors. theta energy: -17.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -214.593933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.593933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.593933 (E_RNA) where: Base-Base interactions energy: -147.389 where: short stacking energy: -68.722 Base-Backbone interact. energy: 0.138 local terms energy: -67.342863 where: bonds (distance) C4'-P energy: -13.162 bonds (distance) P-C4' energy: -17.856 flat angles C4'-P-C4' energy: -14.163 flat angles P-C4'-P energy: -5.210 tors. eta vs tors. theta energy: -16.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -220.581723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.581723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.581723 (E_RNA) where: Base-Base interactions energy: -147.706 where: short stacking energy: -71.807 Base-Backbone interact. energy: -0.465 local terms energy: -72.410852 where: bonds (distance) C4'-P energy: -11.789 bonds (distance) P-C4' energy: -18.467 flat angles C4'-P-C4' energy: -13.967 flat angles P-C4'-P energy: -10.989 tors. eta vs tors. theta energy: -17.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -199.627470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.627470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.627470 (E_RNA) where: Base-Base interactions energy: -124.235 where: short stacking energy: -52.192 Base-Backbone interact. energy: -0.077 local terms energy: -75.315447 where: bonds (distance) C4'-P energy: -17.378 bonds (distance) P-C4' energy: -19.316 flat angles C4'-P-C4' energy: -17.403 flat angles P-C4'-P energy: -12.554 tors. eta vs tors. theta energy: -8.665 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: 6 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -204.534862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.534862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.534862 (E_RNA) where: Base-Base interactions energy: -137.595 where: short stacking energy: -58.134 Base-Backbone interact. energy: -0.033 local terms energy: -66.906445 where: bonds (distance) C4'-P energy: -13.527 bonds (distance) P-C4' energy: -13.638 flat angles C4'-P-C4' energy: -17.361 flat angles P-C4'-P energy: -5.508 tors. eta vs tors. theta energy: -16.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -288.549573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.549573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.549573 (E_RNA) where: Base-Base interactions energy: -199.129 where: short stacking energy: -92.051 Base-Backbone interact. energy: -0.343 local terms energy: -89.077156 where: bonds (distance) C4'-P energy: -17.982 bonds (distance) P-C4' energy: -17.690 flat angles C4'-P-C4' energy: -17.985 flat angles P-C4'-P energy: -11.982 tors. eta vs tors. theta energy: -23.437 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: 3 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -280.091807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.091807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.091807 (E_RNA) where: Base-Base interactions energy: -198.263 where: short stacking energy: -90.953 Base-Backbone interact. energy: 0.587 local terms energy: -82.416145 where: bonds (distance) C4'-P energy: -12.215 bonds (distance) P-C4' energy: -17.150 flat angles C4'-P-C4' energy: -19.205 flat angles P-C4'-P energy: -12.228 tors. eta vs tors. theta energy: -21.619 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: 1 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -288.308349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.308349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.308349 (E_RNA) where: Base-Base interactions energy: -212.344 where: short stacking energy: -100.512 Base-Backbone interact. energy: -0.108 local terms energy: -75.855775 where: bonds (distance) C4'-P energy: -14.902 bonds (distance) P-C4' energy: -13.572 flat angles C4'-P-C4' energy: -18.504 flat angles P-C4'-P energy: -8.163 tors. eta vs tors. theta energy: -20.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -274.610950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.610950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.610950 (E_RNA) where: Base-Base interactions energy: -188.607 where: short stacking energy: -80.418 Base-Backbone interact. energy: -1.448 local terms energy: -84.556210 where: bonds (distance) C4'-P energy: -18.106 bonds (distance) P-C4' energy: -17.663 flat angles C4'-P-C4' energy: -14.510 flat angles P-C4'-P energy: -11.368 tors. eta vs tors. theta energy: -22.909 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: 202 Temperature: 1.100000 Total energy: -251.997720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.997720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.997720 (E_RNA) where: Base-Base interactions energy: -176.519 where: short stacking energy: -78.459 Base-Backbone interact. energy: -0.993 local terms energy: -74.485867 where: bonds (distance) C4'-P energy: -13.047 bonds (distance) P-C4' energy: -18.101 flat angles C4'-P-C4' energy: -17.613 flat angles P-C4'-P energy: -6.823 tors. eta vs tors. theta energy: -18.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -223.495689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.495689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.495689 (E_RNA) where: Base-Base interactions energy: -149.712 where: short stacking energy: -65.637 Base-Backbone interact. energy: -0.224 local terms energy: -73.559692 where: bonds (distance) C4'-P energy: -15.577 bonds (distance) P-C4' energy: -11.147 flat angles C4'-P-C4' energy: -17.700 flat angles P-C4'-P energy: -11.661 tors. eta vs tors. theta energy: -17.475 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: 202 Temperature: 1.200000 Total energy: -218.134913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.134913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.134913 (E_RNA) where: Base-Base interactions energy: -148.655 where: short stacking energy: -70.245 Base-Backbone interact. energy: 1.648 local terms energy: -71.127780 where: bonds (distance) C4'-P energy: -17.850 bonds (distance) P-C4' energy: -14.424 flat angles C4'-P-C4' energy: -14.537 flat angles P-C4'-P energy: -6.342 tors. eta vs tors. theta energy: -17.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -222.933368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.933368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.933368 (E_RNA) where: Base-Base interactions energy: -150.159 where: short stacking energy: -70.950 Base-Backbone interact. energy: 0.094 local terms energy: -72.868761 where: bonds (distance) C4'-P energy: -18.040 bonds (distance) P-C4' energy: -14.617 flat angles C4'-P-C4' energy: -17.509 flat angles P-C4'-P energy: -9.123 tors. eta vs tors. theta energy: -13.580 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: 6 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -208.034126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.034126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.034126 (E_RNA) where: Base-Base interactions energy: -140.871 where: short stacking energy: -59.165 Base-Backbone interact. energy: -0.235 local terms energy: -66.928582 where: bonds (distance) C4'-P energy: -10.394 bonds (distance) P-C4' energy: -14.695 flat angles C4'-P-C4' energy: -19.208 flat angles P-C4'-P energy: -11.366 tors. eta vs tors. theta energy: -11.265 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: 8 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -187.258898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.258898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.258898 (E_RNA) where: Base-Base interactions energy: -128.178 where: short stacking energy: -55.652 Base-Backbone interact. energy: -0.034 local terms energy: -59.047335 where: bonds (distance) C4'-P energy: -14.468 bonds (distance) P-C4' energy: -11.057 flat angles C4'-P-C4' energy: -9.695 flat angles P-C4'-P energy: -11.563 tors. eta vs tors. theta energy: -12.265 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: 4 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -292.023726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.023726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.023726 (E_RNA) where: Base-Base interactions energy: -199.870 where: short stacking energy: -84.618 Base-Backbone interact. energy: -0.991 local terms energy: -91.162668 where: bonds (distance) C4'-P energy: -17.245 bonds (distance) P-C4' energy: -19.384 flat angles C4'-P-C4' energy: -19.482 flat angles P-C4'-P energy: -11.179 tors. eta vs tors. theta energy: -23.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -281.511884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.511884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.511884 (E_RNA) where: Base-Base interactions energy: -200.846 where: short stacking energy: -98.013 Base-Backbone interact. energy: -0.044 local terms energy: -80.621186 where: bonds (distance) C4'-P energy: -16.794 bonds (distance) P-C4' energy: -16.943 flat angles C4'-P-C4' energy: -17.014 flat angles P-C4'-P energy: -7.758 tors. eta vs tors. theta energy: -22.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -275.489503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.489503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.489503 (E_RNA) where: Base-Base interactions energy: -199.202 where: short stacking energy: -87.570 Base-Backbone interact. energy: 0.996 local terms energy: -77.283497 where: bonds (distance) C4'-P energy: -10.605 bonds (distance) P-C4' energy: -21.582 flat angles C4'-P-C4' energy: -14.606 flat angles P-C4'-P energy: -10.116 tors. eta vs tors. theta energy: -20.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -268.615643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.615643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.615643 (E_RNA) where: Base-Base interactions energy: -185.412 where: short stacking energy: -84.904 Base-Backbone interact. energy: 1.169 local terms energy: -84.373168 where: bonds (distance) C4'-P energy: -15.592 bonds (distance) P-C4' energy: -20.106 flat angles C4'-P-C4' energy: -18.733 flat angles P-C4'-P energy: -8.505 tors. eta vs tors. theta energy: -21.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -256.549047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.549047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.549047 (E_RNA) where: Base-Base interactions energy: -175.434 where: short stacking energy: -80.617 Base-Backbone interact. energy: -1.608 local terms energy: -79.507941 where: bonds (distance) C4'-P energy: -17.717 bonds (distance) P-C4' energy: -16.673 flat angles C4'-P-C4' energy: -16.382 flat angles P-C4'-P energy: -8.056 tors. eta vs tors. theta energy: -20.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -238.561269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.561269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.561269 (E_RNA) where: Base-Base interactions energy: -163.977 where: short stacking energy: -80.466 Base-Backbone interact. energy: -0.903 local terms energy: -73.681228 where: bonds (distance) C4'-P energy: -10.788 bonds (distance) P-C4' energy: -12.379 flat angles C4'-P-C4' energy: -15.697 flat angles P-C4'-P energy: -12.539 tors. eta vs tors. theta energy: -22.278 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: 5 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -224.745383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.745383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.745383 (E_RNA) where: Base-Base interactions energy: -147.968 where: short stacking energy: -71.021 Base-Backbone interact. energy: -0.388 local terms energy: -76.389462 where: bonds (distance) C4'-P energy: -17.556 bonds (distance) P-C4' energy: -14.463 flat angles C4'-P-C4' energy: -16.382 flat angles P-C4'-P energy: -10.154 tors. eta vs tors. theta energy: -17.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -216.105511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.105511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.105511 (E_RNA) where: Base-Base interactions energy: -148.287 where: short stacking energy: -72.094 Base-Backbone interact. energy: -0.095 local terms energy: -67.724096 where: bonds (distance) C4'-P energy: -16.334 bonds (distance) P-C4' energy: -14.906 flat angles C4'-P-C4' energy: -14.121 flat angles P-C4'-P energy: -9.542 tors. eta vs tors. theta energy: -12.822 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: 6 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -196.482545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.482545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.482545 (E_RNA) where: Base-Base interactions energy: -136.577 where: short stacking energy: -60.476 Base-Backbone interact. energy: -0.198 local terms energy: -59.707561 where: bonds (distance) C4'-P energy: -14.201 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -13.446 flat angles P-C4'-P energy: -9.243 tors. eta vs tors. theta energy: -13.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -197.239990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.239990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.239990 (E_RNA) where: Base-Base interactions energy: -132.443 where: short stacking energy: -54.871 Base-Backbone interact. energy: -0.403 local terms energy: -64.394300 where: bonds (distance) C4'-P energy: -9.806 bonds (distance) P-C4' energy: -18.364 flat angles C4'-P-C4' energy: -13.540 flat angles P-C4'-P energy: -9.229 tors. eta vs tors. theta energy: -13.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -299.538321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.538321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.538321 (E_RNA) where: Base-Base interactions energy: -213.370 where: short stacking energy: -91.955 Base-Backbone interact. energy: -0.213 local terms energy: -85.955732 where: bonds (distance) C4'-P energy: -18.551 bonds (distance) P-C4' energy: -18.579 flat angles C4'-P-C4' energy: -19.273 flat angles P-C4'-P energy: -8.698 tors. eta vs tors. theta energy: -20.855 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: 204 Temperature: 0.950000 Total energy: -269.538088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.538088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.538088 (E_RNA) where: Base-Base interactions energy: -185.147 where: short stacking energy: -87.818 Base-Backbone interact. energy: -1.939 local terms energy: -82.451683 where: bonds (distance) C4'-P energy: -17.202 bonds (distance) P-C4' energy: -19.482 flat angles C4'-P-C4' energy: -15.848 flat angles P-C4'-P energy: -10.753 tors. eta vs tors. theta energy: -19.167 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: 7 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -272.803879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.803879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.803879 (E_RNA) where: Base-Base interactions energy: -195.096 where: short stacking energy: -82.806 Base-Backbone interact. energy: -0.493 local terms energy: -77.214672 where: bonds (distance) C4'-P energy: -12.899 bonds (distance) P-C4' energy: -13.809 flat angles C4'-P-C4' energy: -17.375 flat angles P-C4'-P energy: -13.178 tors. eta vs tors. theta energy: -19.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -269.711456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.711456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.711456 (E_RNA) where: Base-Base interactions energy: -192.864 where: short stacking energy: -74.042 Base-Backbone interact. energy: -2.116 local terms energy: -74.732251 where: bonds (distance) C4'-P energy: -16.288 bonds (distance) P-C4' energy: -16.710 flat angles C4'-P-C4' energy: -14.626 flat angles P-C4'-P energy: -7.478 tors. eta vs tors. theta energy: -19.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -232.729603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.729603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.729603 (E_RNA) where: Base-Base interactions energy: -156.254 where: short stacking energy: -71.879 Base-Backbone interact. energy: -0.014 local terms energy: -76.460955 where: bonds (distance) C4'-P energy: -14.637 bonds (distance) P-C4' energy: -16.215 flat angles C4'-P-C4' energy: -16.597 flat angles P-C4'-P energy: -8.023 tors. eta vs tors. theta energy: -20.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -224.371461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.371461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.371461 (E_RNA) where: Base-Base interactions energy: -155.825 where: short stacking energy: -70.760 Base-Backbone interact. energy: -0.363 local terms energy: -68.184117 where: bonds (distance) C4'-P energy: -18.930 bonds (distance) P-C4' energy: -16.815 flat angles C4'-P-C4' energy: -10.753 flat angles P-C4'-P energy: -5.912 tors. eta vs tors. theta energy: -15.774 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: 10 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -223.521500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.521500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.521500 (E_RNA) where: Base-Base interactions energy: -146.730 where: short stacking energy: -77.726 Base-Backbone interact. energy: -0.285 local terms energy: -76.506031 where: bonds (distance) C4'-P energy: -14.492 bonds (distance) P-C4' energy: -18.427 flat angles C4'-P-C4' energy: -18.098 flat angles P-C4'-P energy: -6.704 tors. eta vs tors. theta energy: -18.784 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: 5 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -211.176584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.176584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.176584 (E_RNA) where: Base-Base interactions energy: -144.209 where: short stacking energy: -66.220 Base-Backbone interact. energy: -0.257 local terms energy: -66.710966 where: bonds (distance) C4'-P energy: -8.923 bonds (distance) P-C4' energy: -18.340 flat angles C4'-P-C4' energy: -15.220 flat angles P-C4'-P energy: -12.560 tors. eta vs tors. theta energy: -11.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -195.312841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.312841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.312841 (E_RNA) where: Base-Base interactions energy: -133.872 where: short stacking energy: -72.709 Base-Backbone interact. energy: -0.161 local terms energy: -61.279726 where: bonds (distance) C4'-P energy: -13.505 bonds (distance) P-C4' energy: -7.407 flat angles C4'-P-C4' energy: -17.342 flat angles P-C4'-P energy: -9.362 tors. eta vs tors. theta energy: -13.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -188.964813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.964813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.964813 (E_RNA) where: Base-Base interactions energy: -120.284 where: short stacking energy: -59.522 Base-Backbone interact. energy: -0.253 local terms energy: -68.428018 where: bonds (distance) C4'-P energy: -12.335 bonds (distance) P-C4' energy: -17.200 flat angles C4'-P-C4' energy: -18.568 flat angles P-C4'-P energy: -8.516 tors. eta vs tors. theta energy: -11.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -298.690459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.690459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.690459 (E_RNA) where: Base-Base interactions energy: -207.111 where: short stacking energy: -85.402 Base-Backbone interact. energy: -1.091 local terms energy: -90.487686 where: bonds (distance) C4'-P energy: -12.979 bonds (distance) P-C4' energy: -20.821 flat angles C4'-P-C4' energy: -21.243 flat angles P-C4'-P energy: -11.722 tors. eta vs tors. theta energy: -23.722 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: 1 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -286.735035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.735035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.735035 (E_RNA) where: Base-Base interactions energy: -200.652 where: short stacking energy: -91.033 Base-Backbone interact. energy: -0.020 local terms energy: -86.063600 where: bonds (distance) C4'-P energy: -17.941 bonds (distance) P-C4' energy: -14.549 flat angles C4'-P-C4' energy: -19.398 flat angles P-C4'-P energy: -12.901 tors. eta vs tors. theta energy: -21.275 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: 3, replica: 7 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -268.586691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.586691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.586691 (E_RNA) where: Base-Base interactions energy: -193.078 where: short stacking energy: -71.638 Base-Backbone interact. energy: -0.246 local terms energy: -75.262683 where: bonds (distance) C4'-P energy: -16.814 bonds (distance) P-C4' energy: -16.334 flat angles C4'-P-C4' energy: -13.204 flat angles P-C4'-P energy: -12.587 tors. eta vs tors. theta energy: -16.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -277.565433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.565433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.565433 (E_RNA) where: Base-Base interactions energy: -201.581 where: short stacking energy: -92.248 Base-Backbone interact. energy: -0.898 local terms energy: -75.085634 where: bonds (distance) C4'-P energy: -14.431 bonds (distance) P-C4' energy: -9.266 flat angles C4'-P-C4' energy: -17.367 flat angles P-C4'-P energy: -11.741 tors. eta vs tors. theta energy: -22.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -239.266787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.266787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.266787 (E_RNA) where: Base-Base interactions energy: -158.573 where: short stacking energy: -76.091 Base-Backbone interact. energy: -0.209 local terms energy: -80.485116 where: bonds (distance) C4'-P energy: -19.183 bonds (distance) P-C4' energy: -15.930 flat angles C4'-P-C4' energy: -16.269 flat angles P-C4'-P energy: -10.187 tors. eta vs tors. theta energy: -18.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -231.594450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.594450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.594450 (E_RNA) where: Base-Base interactions energy: -151.850 where: short stacking energy: -76.548 Base-Backbone interact. energy: -0.392 local terms energy: -79.352728 where: bonds (distance) C4'-P energy: -14.365 bonds (distance) P-C4' energy: -16.784 flat angles C4'-P-C4' energy: -15.769 flat angles P-C4'-P energy: -10.943 tors. eta vs tors. theta energy: -21.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -226.930330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.930330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.930330 (E_RNA) where: Base-Base interactions energy: -150.176 where: short stacking energy: -70.200 Base-Backbone interact. energy: -0.263 local terms energy: -76.491059 where: bonds (distance) C4'-P energy: -17.436 bonds (distance) P-C4' energy: -15.262 flat angles C4'-P-C4' energy: -15.406 flat angles P-C4'-P energy: -10.374 tors. eta vs tors. theta energy: -18.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -213.426624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.426624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.426624 (E_RNA) where: Base-Base interactions energy: -149.316 where: short stacking energy: -69.975 Base-Backbone interact. energy: -0.562 local terms energy: -63.549217 where: bonds (distance) C4'-P energy: -8.892 bonds (distance) P-C4' energy: -14.880 flat angles C4'-P-C4' energy: -17.186 flat angles P-C4'-P energy: -7.149 tors. eta vs tors. theta energy: -15.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -196.951439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.951439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.951439 (E_RNA) where: Base-Base interactions energy: -128.605 where: short stacking energy: -61.597 Base-Backbone interact. energy: -0.021 local terms energy: -68.325007 where: bonds (distance) C4'-P energy: -17.079 bonds (distance) P-C4' energy: -15.184 flat angles C4'-P-C4' energy: -14.123 flat angles P-C4'-P energy: -7.744 tors. eta vs tors. theta energy: -14.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -189.588081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.588081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.588081 (E_RNA) where: Base-Base interactions energy: -131.400 where: short stacking energy: -60.276 Base-Backbone interact. energy: -0.325 local terms energy: -57.863235 where: bonds (distance) C4'-P energy: -13.829 bonds (distance) P-C4' energy: -17.914 flat angles C4'-P-C4' energy: -11.801 flat angles P-C4'-P energy: -7.578 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: 1, replica: 4 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -296.358755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.358755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.358755 (E_RNA) where: Base-Base interactions energy: -208.584 where: short stacking energy: -92.065 Base-Backbone interact. energy: -3.119 local terms energy: -84.655115 where: bonds (distance) C4'-P energy: -16.935 bonds (distance) P-C4' energy: -15.656 flat angles C4'-P-C4' energy: -19.077 flat angles P-C4'-P energy: -9.804 tors. eta vs tors. theta energy: -23.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -284.961251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.961251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.961251 (E_RNA) where: Base-Base interactions energy: -197.856 where: short stacking energy: -90.502 Base-Backbone interact. energy: -1.167 local terms energy: -85.938690 where: bonds (distance) C4'-P energy: -17.182 bonds (distance) P-C4' energy: -16.969 flat angles C4'-P-C4' energy: -18.321 flat angles P-C4'-P energy: -10.580 tors. eta vs tors. theta energy: -22.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -272.780256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.780256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.780256 (E_RNA) where: Base-Base interactions energy: -195.420 where: short stacking energy: -83.713 Base-Backbone interact. energy: -0.596 local terms energy: -76.764837 where: bonds (distance) C4'-P energy: -13.957 bonds (distance) P-C4' energy: -18.503 flat angles C4'-P-C4' energy: -19.506 flat angles P-C4'-P energy: -7.225 tors. eta vs tors. theta energy: -17.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -274.000908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.000908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.000908 (E_RNA) where: Base-Base interactions energy: -189.717 where: short stacking energy: -80.939 Base-Backbone interact. energy: 0.068 local terms energy: -84.352281 where: bonds (distance) C4'-P energy: -13.018 bonds (distance) P-C4' energy: -18.840 flat angles C4'-P-C4' energy: -21.466 flat angles P-C4'-P energy: -12.512 tors. eta vs tors. theta energy: -18.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -223.406101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.406101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.406101 (E_RNA) where: Base-Base interactions energy: -143.688 where: short stacking energy: -69.838 Base-Backbone interact. energy: 0.480 local terms energy: -80.197754 where: bonds (distance) C4'-P energy: -17.978 bonds (distance) P-C4' energy: -16.124 flat angles C4'-P-C4' energy: -15.117 flat angles P-C4'-P energy: -12.271 tors. eta vs tors. theta energy: -18.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -252.265022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.265022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.265022 (E_RNA) where: Base-Base interactions energy: -174.079 where: short stacking energy: -86.376 Base-Backbone interact. energy: -0.166 local terms energy: -78.019569 where: bonds (distance) C4'-P energy: -14.563 bonds (distance) P-C4' energy: -15.663 flat angles C4'-P-C4' energy: -17.984 flat angles P-C4'-P energy: -6.764 tors. eta vs tors. theta energy: -23.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -231.564675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.564675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.564675 (E_RNA) where: Base-Base interactions energy: -157.564 where: short stacking energy: -75.865 Base-Backbone interact. energy: -0.227 local terms energy: -73.774139 where: bonds (distance) C4'-P energy: -17.986 bonds (distance) P-C4' energy: -13.451 flat angles C4'-P-C4' energy: -16.563 flat angles P-C4'-P energy: -7.398 tors. eta vs tors. theta energy: -18.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -210.770862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.770862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.770862 (E_RNA) where: Base-Base interactions energy: -143.342 where: short stacking energy: -71.002 Base-Backbone interact. energy: -0.493 local terms energy: -66.935513 where: bonds (distance) C4'-P energy: -11.674 bonds (distance) P-C4' energy: -14.037 flat angles C4'-P-C4' energy: -16.053 flat angles P-C4'-P energy: -10.625 tors. eta vs tors. theta energy: -14.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -222.503693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.503693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.503693 (E_RNA) where: Base-Base interactions energy: -158.141 where: short stacking energy: -64.912 Base-Backbone interact. energy: -0.087 local terms energy: -64.275489 where: bonds (distance) C4'-P energy: -13.908 bonds (distance) P-C4' energy: -13.582 flat angles C4'-P-C4' energy: -15.570 flat angles P-C4'-P energy: -6.349 tors. eta vs tors. theta energy: -14.865 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: 5 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -189.677683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.677683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.677683 (E_RNA) where: Base-Base interactions energy: -121.572 where: short stacking energy: -55.887 Base-Backbone interact. energy: -0.164 local terms energy: -67.942338 where: bonds (distance) C4'-P energy: -15.615 bonds (distance) P-C4' energy: -12.559 flat angles C4'-P-C4' energy: -16.456 flat angles P-C4'-P energy: -11.298 tors. eta vs tors. theta energy: -12.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -294.149186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.149186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.149186 (E_RNA) where: Base-Base interactions energy: -204.758 where: short stacking energy: -95.974 Base-Backbone interact. energy: -1.162 local terms energy: -88.229630 where: bonds (distance) C4'-P energy: -17.187 bonds (distance) P-C4' energy: -16.157 flat angles C4'-P-C4' energy: -20.652 flat angles P-C4'-P energy: -10.524 tors. eta vs tors. theta energy: -23.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -297.996787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.996787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.996787 (E_RNA) where: Base-Base interactions energy: -212.414 where: short stacking energy: -98.532 Base-Backbone interact. energy: -0.207 local terms energy: -85.375747 where: bonds (distance) C4'-P energy: -18.284 bonds (distance) P-C4' energy: -19.992 flat angles C4'-P-C4' energy: -15.674 flat angles P-C4'-P energy: -8.958 tors. eta vs tors. theta energy: -22.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -270.646672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.646672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.646672 (E_RNA) where: Base-Base interactions energy: -190.175 where: short stacking energy: -75.859 Base-Backbone interact. energy: -0.040 local terms energy: -80.431511 where: bonds (distance) C4'-P energy: -17.195 bonds (distance) P-C4' energy: -16.279 flat angles C4'-P-C4' energy: -15.214 flat angles P-C4'-P energy: -10.950 tors. eta vs tors. theta energy: -20.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -273.474798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.474798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.474798 (E_RNA) where: Base-Base interactions energy: -198.451 where: short stacking energy: -83.938 Base-Backbone interact. energy: 1.823 local terms energy: -76.846962 where: bonds (distance) C4'-P energy: -15.551 bonds (distance) P-C4' energy: -16.648 flat angles C4'-P-C4' energy: -16.902 flat angles P-C4'-P energy: -5.929 tors. eta vs tors. theta energy: -21.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -225.969180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.969180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.969180 (E_RNA) where: Base-Base interactions energy: -150.989 where: short stacking energy: -73.750 Base-Backbone interact. energy: -0.563 local terms energy: -74.417293 where: bonds (distance) C4'-P energy: -17.688 bonds (distance) P-C4' energy: -12.269 flat angles C4'-P-C4' energy: -18.723 flat angles P-C4'-P energy: -9.743 tors. eta vs tors. theta energy: -15.994 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: 207 Temperature: 1.150000 Total energy: -239.283112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.283112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.283112 (E_RNA) where: Base-Base interactions energy: -155.887 where: short stacking energy: -75.540 Base-Backbone interact. energy: -0.348 local terms energy: -83.047807 where: bonds (distance) C4'-P energy: -16.823 bonds (distance) P-C4' energy: -16.319 flat angles C4'-P-C4' energy: -17.385 flat angles P-C4'-P energy: -12.673 tors. eta vs tors. theta energy: -19.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -222.066075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.066075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.066075 (E_RNA) where: Base-Base interactions energy: -147.229 where: short stacking energy: -68.047 Base-Backbone interact. energy: -0.367 local terms energy: -74.469902 where: bonds (distance) C4'-P energy: -17.626 bonds (distance) P-C4' energy: -13.278 flat angles C4'-P-C4' energy: -17.203 flat angles P-C4'-P energy: -7.837 tors. eta vs tors. theta energy: -18.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -241.273574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.273574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.273574 (E_RNA) where: Base-Base interactions energy: -171.255 where: short stacking energy: -68.959 Base-Backbone interact. energy: 0.255 local terms energy: -70.273752 where: bonds (distance) C4'-P energy: -13.313 bonds (distance) P-C4' energy: -14.222 flat angles C4'-P-C4' energy: -15.254 flat angles P-C4'-P energy: -7.135 tors. eta vs tors. theta energy: -20.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -213.691382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.691382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.691382 (E_RNA) where: Base-Base interactions energy: -144.608 where: short stacking energy: -71.137 Base-Backbone interact. energy: -0.005 local terms energy: -69.078419 where: bonds (distance) C4'-P energy: -14.903 bonds (distance) P-C4' energy: -14.961 flat angles C4'-P-C4' energy: -14.639 flat angles P-C4'-P energy: -11.345 tors. eta vs tors. theta energy: -13.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -199.590605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.590605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.590605 (E_RNA) where: Base-Base interactions energy: -122.579 where: short stacking energy: -48.780 Base-Backbone interact. energy: -0.031 local terms energy: -76.980905 where: bonds (distance) C4'-P energy: -13.618 bonds (distance) P-C4' energy: -17.762 flat angles C4'-P-C4' energy: -19.152 flat angles P-C4'-P energy: -11.755 tors. eta vs tors. theta energy: -14.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -279.410195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.410195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.410195 (E_RNA) where: Base-Base interactions energy: -193.721 where: short stacking energy: -90.459 Base-Backbone interact. energy: -0.767 local terms energy: -84.921363 where: bonds (distance) C4'-P energy: -16.141 bonds (distance) P-C4' energy: -18.133 flat angles C4'-P-C4' energy: -17.806 flat angles P-C4'-P energy: -12.025 tors. eta vs tors. theta energy: -20.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -284.339782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.339782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.339782 (E_RNA) where: Base-Base interactions energy: -204.966 where: short stacking energy: -92.664 Base-Backbone interact. energy: 0.398 local terms energy: -79.771058 where: bonds (distance) C4'-P energy: -12.281 bonds (distance) P-C4' energy: -18.026 flat angles C4'-P-C4' energy: -18.614 flat angles P-C4'-P energy: -9.655 tors. eta vs tors. theta energy: -21.195 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: 208 Temperature: 1.000000 Total energy: -286.396506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.396506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.396506 (E_RNA) where: Base-Base interactions energy: -196.456 where: short stacking energy: -91.172 Base-Backbone interact. energy: -0.807 local terms energy: -89.133554 where: bonds (distance) C4'-P energy: -17.370 bonds (distance) P-C4' energy: -19.700 flat angles C4'-P-C4' energy: -18.165 flat angles P-C4'-P energy: -11.193 tors. eta vs tors. theta energy: -22.706 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: 7 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -282.956479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.956479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.956479 (E_RNA) where: Base-Base interactions energy: -200.303 where: short stacking energy: -94.430 Base-Backbone interact. energy: -0.606 local terms energy: -82.047670 where: bonds (distance) C4'-P energy: -15.468 bonds (distance) P-C4' energy: -16.012 flat angles C4'-P-C4' energy: -19.864 flat angles P-C4'-P energy: -9.672 tors. eta vs tors. theta energy: -21.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -238.430682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.430682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.430682 (E_RNA) where: Base-Base interactions energy: -165.153 where: short stacking energy: -80.368 Base-Backbone interact. energy: -0.015 local terms energy: -73.262491 where: bonds (distance) C4'-P energy: -13.325 bonds (distance) P-C4' energy: -18.006 flat angles C4'-P-C4' energy: -14.676 flat angles P-C4'-P energy: -9.249 tors. eta vs tors. theta energy: -18.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -223.410115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.410115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.410115 (E_RNA) where: Base-Base interactions energy: -155.437 where: short stacking energy: -73.619 Base-Backbone interact. energy: -0.349 local terms energy: -67.623819 where: bonds (distance) C4'-P energy: -6.903 bonds (distance) P-C4' energy: -18.650 flat angles C4'-P-C4' energy: -15.636 flat angles P-C4'-P energy: -7.306 tors. eta vs tors. theta energy: -19.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -246.224758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.224758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.224758 (E_RNA) where: Base-Base interactions energy: -170.837 where: short stacking energy: -65.471 Base-Backbone interact. energy: -0.098 local terms energy: -75.290013 where: bonds (distance) C4'-P energy: -13.771 bonds (distance) P-C4' energy: -15.294 flat angles C4'-P-C4' energy: -16.620 flat angles P-C4'-P energy: -13.058 tors. eta vs tors. theta energy: -16.547 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: 9 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -216.395962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.395962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.395962 (E_RNA) where: Base-Base interactions energy: -142.664 where: short stacking energy: -67.047 Base-Backbone interact. energy: -0.343 local terms energy: -73.389648 where: bonds (distance) C4'-P energy: -11.881 bonds (distance) P-C4' energy: -16.896 flat angles C4'-P-C4' energy: -17.513 flat angles P-C4'-P energy: -10.762 tors. eta vs tors. theta energy: -16.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -196.134761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.134761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.134761 (E_RNA) where: Base-Base interactions energy: -137.211 where: short stacking energy: -65.012 Base-Backbone interact. energy: 0.680 local terms energy: -59.604375 where: bonds (distance) C4'-P energy: -14.753 bonds (distance) P-C4' energy: -14.175 flat angles C4'-P-C4' energy: -11.732 flat angles P-C4'-P energy: -7.636 tors. eta vs tors. theta energy: -11.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -188.509506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.509506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.509506 (E_RNA) where: Base-Base interactions energy: -129.979 where: short stacking energy: -51.298 Base-Backbone interact. energy: 0.266 local terms energy: -58.797001 where: bonds (distance) C4'-P energy: -13.551 bonds (distance) P-C4' energy: -12.858 flat angles C4'-P-C4' energy: -16.530 flat angles P-C4'-P energy: -6.715 tors. eta vs tors. theta energy: -9.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -282.974569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.974569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.974569 (E_RNA) where: Base-Base interactions energy: -192.990 where: short stacking energy: -87.657 Base-Backbone interact. energy: -1.555 local terms energy: -88.429457 where: bonds (distance) C4'-P energy: -16.890 bonds (distance) P-C4' energy: -20.344 flat angles C4'-P-C4' energy: -19.407 flat angles P-C4'-P energy: -12.613 tors. eta vs tors. theta energy: -19.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -267.845496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.845496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.845496 (E_RNA) where: Base-Base interactions energy: -190.406 where: short stacking energy: -83.511 Base-Backbone interact. energy: -1.222 local terms energy: -76.218229 where: bonds (distance) C4'-P energy: -15.432 bonds (distance) P-C4' energy: -21.125 flat angles C4'-P-C4' energy: -15.498 flat angles P-C4'-P energy: -4.608 tors. eta vs tors. theta energy: -19.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -281.516608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.516608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.516608 (E_RNA) where: Base-Base interactions energy: -198.568 where: short stacking energy: -86.558 Base-Backbone interact. energy: -0.061 local terms energy: -82.887974 where: bonds (distance) C4'-P energy: -19.390 bonds (distance) P-C4' energy: -16.716 flat angles C4'-P-C4' energy: -16.336 flat angles P-C4'-P energy: -12.413 tors. eta vs tors. theta energy: -18.034 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: 7 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -282.008275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.008275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.008275 (E_RNA) where: Base-Base interactions energy: -198.366 where: short stacking energy: -79.172 Base-Backbone interact. energy: -0.792 local terms energy: -82.850694 where: bonds (distance) C4'-P energy: -17.541 bonds (distance) P-C4' energy: -17.530 flat angles C4'-P-C4' energy: -18.579 flat angles P-C4'-P energy: -10.046 tors. eta vs tors. theta energy: -19.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -236.990320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.990320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.990320 (E_RNA) where: Base-Base interactions energy: -147.487 where: short stacking energy: -74.183 Base-Backbone interact. energy: -0.237 local terms energy: -89.265899 where: bonds (distance) C4'-P energy: -16.144 bonds (distance) P-C4' energy: -18.858 flat angles C4'-P-C4' energy: -19.498 flat angles P-C4'-P energy: -15.050 tors. eta vs tors. theta energy: -19.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -261.243011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.243011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.243011 (E_RNA) where: Base-Base interactions energy: -186.928 where: short stacking energy: -81.397 Base-Backbone interact. energy: -0.324 local terms energy: -73.990483 where: bonds (distance) C4'-P energy: -13.867 bonds (distance) P-C4' energy: -19.351 flat angles C4'-P-C4' energy: -12.452 flat angles P-C4'-P energy: -9.005 tors. eta vs tors. theta energy: -19.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -228.506370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.506370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.506370 (E_RNA) where: Base-Base interactions energy: -158.257 where: short stacking energy: -76.728 Base-Backbone interact. energy: -1.082 local terms energy: -69.167293 where: bonds (distance) C4'-P energy: -9.673 bonds (distance) P-C4' energy: -12.608 flat angles C4'-P-C4' energy: -17.485 flat angles P-C4'-P energy: -9.990 tors. eta vs tors. theta energy: -19.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -207.404248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.404248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.404248 (E_RNA) where: Base-Base interactions energy: -141.741 where: short stacking energy: -69.255 Base-Backbone interact. energy: -0.145 local terms energy: -65.517734 where: bonds (distance) C4'-P energy: -11.218 bonds (distance) P-C4' energy: -16.266 flat angles C4'-P-C4' energy: -16.304 flat angles P-C4'-P energy: -7.657 tors. eta vs tors. theta energy: -14.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -205.328727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.328727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.328727 (E_RNA) where: Base-Base interactions energy: -134.961 where: short stacking energy: -68.276 Base-Backbone interact. energy: -0.334 local terms energy: -70.033251 where: bonds (distance) C4'-P energy: -14.782 bonds (distance) P-C4' energy: -16.941 flat angles C4'-P-C4' energy: -14.508 flat angles P-C4'-P energy: -7.992 tors. eta vs tors. theta energy: -15.809 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: 8 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -193.957113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.957113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.957113 (E_RNA) where: Base-Base interactions energy: -124.346 where: short stacking energy: -54.012 Base-Backbone interact. energy: -0.285 local terms energy: -69.325916 where: bonds (distance) C4'-P energy: -17.252 bonds (distance) P-C4' energy: -12.787 flat angles C4'-P-C4' energy: -18.885 flat angles P-C4'-P energy: -8.963 tors. eta vs tors. theta energy: -11.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -294.408554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.408554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.408554 (E_RNA) where: Base-Base interactions energy: -210.758 where: short stacking energy: -95.501 Base-Backbone interact. energy: -2.506 local terms energy: -81.144683 where: bonds (distance) C4'-P energy: -14.811 bonds (distance) P-C4' energy: -15.818 flat angles C4'-P-C4' energy: -18.400 flat angles P-C4'-P energy: -10.525 tors. eta vs tors. theta energy: -21.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -279.848104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.848104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.848104 (E_RNA) where: Base-Base interactions energy: -194.798 where: short stacking energy: -84.905 Base-Backbone interact. energy: -0.578 local terms energy: -84.472545 where: bonds (distance) C4'-P energy: -16.134 bonds (distance) P-C4' energy: -18.347 flat angles C4'-P-C4' energy: -18.804 flat angles P-C4'-P energy: -12.878 tors. eta vs tors. theta energy: -18.309 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: 7 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -287.800107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.800107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.800107 (E_RNA) where: Base-Base interactions energy: -195.524 where: short stacking energy: -88.910 Base-Backbone interact. energy: -3.712 local terms energy: -88.564256 where: bonds (distance) C4'-P energy: -19.059 bonds (distance) P-C4' energy: -14.905 flat angles C4'-P-C4' energy: -17.220 flat angles P-C4'-P energy: -13.022 tors. eta vs tors. theta energy: -24.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -266.106022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.106022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.106022 (E_RNA) where: Base-Base interactions energy: -186.241 where: short stacking energy: -81.426 Base-Backbone interact. energy: -1.066 local terms energy: -78.798153 where: bonds (distance) C4'-P energy: -18.034 bonds (distance) P-C4' energy: -14.938 flat angles C4'-P-C4' energy: -18.172 flat angles P-C4'-P energy: -9.085 tors. eta vs tors. theta energy: -18.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -248.955540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.955540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.955540 (E_RNA) where: Base-Base interactions energy: -172.388 where: short stacking energy: -82.289 Base-Backbone interact. energy: 0.432 local terms energy: -76.999489 where: bonds (distance) C4'-P energy: -17.534 bonds (distance) P-C4' energy: -16.675 flat angles C4'-P-C4' energy: -11.624 flat angles P-C4'-P energy: -10.916 tors. eta vs tors. theta energy: -20.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -227.579688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.579688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.579688 (E_RNA) where: Base-Base interactions energy: -149.902 where: short stacking energy: -74.808 Base-Backbone interact. energy: -0.502 local terms energy: -77.175991 where: bonds (distance) C4'-P energy: -15.456 bonds (distance) P-C4' energy: -16.420 flat angles C4'-P-C4' energy: -17.444 flat angles P-C4'-P energy: -7.166 tors. eta vs tors. theta energy: -20.689 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: 10 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -231.913498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.913498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.913498 (E_RNA) where: Base-Base interactions energy: -159.691 where: short stacking energy: -80.162 Base-Backbone interact. energy: -0.524 local terms energy: -71.698494 where: bonds (distance) C4'-P energy: -8.056 bonds (distance) P-C4' energy: -17.115 flat angles C4'-P-C4' energy: -18.374 flat angles P-C4'-P energy: -8.751 tors. eta vs tors. theta energy: -19.402 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: 210 Temperature: 1.250000 Total energy: -218.911873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.911873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.911873 (E_RNA) where: Base-Base interactions energy: -147.213 where: short stacking energy: -69.771 Base-Backbone interact. energy: 0.808 local terms energy: -72.507044 where: bonds (distance) C4'-P energy: -13.903 bonds (distance) P-C4' energy: -15.395 flat angles C4'-P-C4' energy: -16.698 flat angles P-C4'-P energy: -12.699 tors. eta vs tors. theta energy: -13.812 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: 9, replica: 8 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -217.304963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.304963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.304963 (E_RNA) where: Base-Base interactions energy: -146.778 where: short stacking energy: -68.929 Base-Backbone interact. energy: -0.298 local terms energy: -70.228415 where: bonds (distance) C4'-P energy: -14.845 bonds (distance) P-C4' energy: -14.413 flat angles C4'-P-C4' energy: -18.877 flat angles P-C4'-P energy: -4.865 tors. eta vs tors. theta energy: -17.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -203.284604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.284604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.284604 (E_RNA) where: Base-Base interactions energy: -130.233 where: short stacking energy: -56.242 Base-Backbone interact. energy: 0.304 local terms energy: -73.355246 where: bonds (distance) C4'-P energy: -14.331 bonds (distance) P-C4' energy: -17.160 flat angles C4'-P-C4' energy: -15.685 flat angles P-C4'-P energy: -12.633 tors. eta vs tors. theta energy: -13.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -303.594461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.594461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.594461 (E_RNA) where: Base-Base interactions energy: -210.928 where: short stacking energy: -97.713 Base-Backbone interact. energy: -0.168 local terms energy: -92.498230 where: bonds (distance) C4'-P energy: -19.712 bonds (distance) P-C4' energy: -17.536 flat angles C4'-P-C4' energy: -19.151 flat angles P-C4'-P energy: -14.569 tors. eta vs tors. theta energy: -21.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -296.198702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.198702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.198702 (E_RNA) where: Base-Base interactions energy: -204.646 where: short stacking energy: -86.452 Base-Backbone interact. energy: -2.932 local terms energy: -88.620940 where: bonds (distance) C4'-P energy: -16.235 bonds (distance) P-C4' energy: -19.467 flat angles C4'-P-C4' energy: -17.749 flat angles P-C4'-P energy: -13.220 tors. eta vs tors. theta energy: -21.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -272.193962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.193962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.193962 (E_RNA) where: Base-Base interactions energy: -189.154 where: short stacking energy: -89.096 Base-Backbone interact. energy: -0.106 local terms energy: -82.933215 where: bonds (distance) C4'-P energy: -18.412 bonds (distance) P-C4' energy: -18.644 flat angles C4'-P-C4' energy: -17.846 flat angles P-C4'-P energy: -11.051 tors. eta vs tors. theta energy: -16.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -256.731143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.731143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.731143 (E_RNA) where: Base-Base interactions energy: -178.937 where: short stacking energy: -78.743 Base-Backbone interact. energy: -0.341 local terms energy: -77.452524 where: bonds (distance) C4'-P energy: -14.054 bonds (distance) P-C4' energy: -17.917 flat angles C4'-P-C4' energy: -15.494 flat angles P-C4'-P energy: -12.574 tors. eta vs tors. theta energy: -17.414 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: 4 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -267.987187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.987187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.987187 (E_RNA) where: Base-Base interactions energy: -191.250 where: short stacking energy: -77.158 Base-Backbone interact. energy: -0.863 local terms energy: -75.874029 where: bonds (distance) C4'-P energy: -13.634 bonds (distance) P-C4' energy: -19.607 flat angles C4'-P-C4' energy: -10.753 flat angles P-C4'-P energy: -11.007 tors. eta vs tors. theta energy: -20.873 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: 211 Temperature: 1.150000 Total energy: -218.358687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.358687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.358687 (E_RNA) where: Base-Base interactions energy: -148.399 where: short stacking energy: -62.098 Base-Backbone interact. energy: -0.004 local terms energy: -69.955146 where: bonds (distance) C4'-P energy: -14.198 bonds (distance) P-C4' energy: -15.775 flat angles C4'-P-C4' energy: -16.889 flat angles P-C4'-P energy: -4.739 tors. eta vs tors. theta energy: -18.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -211.134730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.134730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.134730 (E_RNA) where: Base-Base interactions energy: -139.525 where: short stacking energy: -59.082 Base-Backbone interact. energy: -0.117 local terms energy: -71.492557 where: bonds (distance) C4'-P energy: -17.460 bonds (distance) P-C4' energy: -15.250 flat angles C4'-P-C4' energy: -16.500 flat angles P-C4'-P energy: -8.384 tors. eta vs tors. theta energy: -13.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -205.754491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.754491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.754491 (E_RNA) where: Base-Base interactions energy: -135.163 where: short stacking energy: -65.818 Base-Backbone interact. energy: -0.551 local terms energy: -70.040310 where: bonds (distance) C4'-P energy: -17.923 bonds (distance) P-C4' energy: -16.084 flat angles C4'-P-C4' energy: -13.206 flat angles P-C4'-P energy: -6.965 tors. eta vs tors. theta energy: -15.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -198.715097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.715097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.715097 (E_RNA) where: Base-Base interactions energy: -138.558 where: short stacking energy: -65.380 Base-Backbone interact. energy: -0.113 local terms energy: -60.043884 where: bonds (distance) C4'-P energy: -12.878 bonds (distance) P-C4' energy: -11.398 flat angles C4'-P-C4' energy: -17.706 flat angles P-C4'-P energy: -8.079 tors. eta vs tors. theta energy: -9.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -192.142897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.142897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.142897 (E_RNA) where: Base-Base interactions energy: -124.670 where: short stacking energy: -60.075 Base-Backbone interact. energy: -0.337 local terms energy: -67.136138 where: bonds (distance) C4'-P energy: -13.219 bonds (distance) P-C4' energy: -16.212 flat angles C4'-P-C4' energy: -16.632 flat angles P-C4'-P energy: -8.774 tors. eta vs tors. theta energy: -12.299 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: 3 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -278.908389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.908389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.908389 (E_RNA) where: Base-Base interactions energy: -200.632 where: short stacking energy: -89.729 Base-Backbone interact. energy: -0.237 local terms energy: -78.039714 where: bonds (distance) C4'-P energy: -16.091 bonds (distance) P-C4' energy: -16.557 flat angles C4'-P-C4' energy: -19.401 flat angles P-C4'-P energy: -9.192 tors. eta vs tors. theta energy: -16.799 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: 7 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -285.980772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.980772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.980772 (E_RNA) where: Base-Base interactions energy: -198.480 where: short stacking energy: -93.151 Base-Backbone interact. energy: -0.681 local terms energy: -86.819385 where: bonds (distance) C4'-P energy: -20.214 bonds (distance) P-C4' energy: -15.865 flat angles C4'-P-C4' energy: -17.427 flat angles P-C4'-P energy: -11.201 tors. eta vs tors. theta energy: -22.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -268.096535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.096535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.096535 (E_RNA) where: Base-Base interactions energy: -193.822 where: short stacking energy: -82.623 Base-Backbone interact. energy: -0.366 local terms energy: -73.908616 where: bonds (distance) C4'-P energy: -16.740 bonds (distance) P-C4' energy: -11.665 flat angles C4'-P-C4' energy: -18.650 flat angles P-C4'-P energy: -8.245 tors. eta vs tors. theta energy: -18.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -258.739105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.739105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.739105 (E_RNA) where: Base-Base interactions energy: -179.296 where: short stacking energy: -80.774 Base-Backbone interact. energy: -1.468 local terms energy: -77.975085 where: bonds (distance) C4'-P energy: -17.283 bonds (distance) P-C4' energy: -15.833 flat angles C4'-P-C4' energy: -19.130 flat angles P-C4'-P energy: -9.985 tors. eta vs tors. theta energy: -15.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -222.794082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.794082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.794082 (E_RNA) where: Base-Base interactions energy: -148.301 where: short stacking energy: -65.165 Base-Backbone interact. energy: -0.352 local terms energy: -74.141289 where: bonds (distance) C4'-P energy: -13.496 bonds (distance) P-C4' energy: -16.636 flat angles C4'-P-C4' energy: -18.488 flat angles P-C4'-P energy: -10.864 tors. eta vs tors. theta energy: -14.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -259.575178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.575178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.575178 (E_RNA) where: Base-Base interactions energy: -180.014 where: short stacking energy: -67.687 Base-Backbone interact. energy: -1.200 local terms energy: -78.361387 where: bonds (distance) C4'-P energy: -16.777 bonds (distance) P-C4' energy: -16.124 flat angles C4'-P-C4' energy: -16.820 flat angles P-C4'-P energy: -8.811 tors. eta vs tors. theta energy: -19.829 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: 8 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -235.635409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.635409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.635409 (E_RNA) where: Base-Base interactions energy: -160.011 where: short stacking energy: -78.783 Base-Backbone interact. energy: -0.195 local terms energy: -75.429345 where: bonds (distance) C4'-P energy: -14.952 bonds (distance) P-C4' energy: -18.175 flat angles C4'-P-C4' energy: -17.032 flat angles P-C4'-P energy: -8.325 tors. eta vs tors. theta energy: -16.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -207.092610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.092610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.092610 (E_RNA) where: Base-Base interactions energy: -132.999 where: short stacking energy: -60.845 Base-Backbone interact. energy: -0.155 local terms energy: -73.938464 where: bonds (distance) C4'-P energy: -18.185 bonds (distance) P-C4' energy: -18.636 flat angles C4'-P-C4' energy: -12.305 flat angles P-C4'-P energy: -11.362 tors. eta vs tors. theta energy: -13.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -198.609339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.609339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.609339 (E_RNA) where: Base-Base interactions energy: -137.268 where: short stacking energy: -54.392 Base-Backbone interact. energy: -0.390 local terms energy: -60.951654 where: bonds (distance) C4'-P energy: -15.169 bonds (distance) P-C4' energy: -11.413 flat angles C4'-P-C4' energy: -14.852 flat angles P-C4'-P energy: -8.892 tors. eta vs tors. theta energy: -10.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -195.002052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.002052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.002052 (E_RNA) where: Base-Base interactions energy: -128.562 where: short stacking energy: -55.153 Base-Backbone interact. energy: -0.596 local terms energy: -65.843868 where: bonds (distance) C4'-P energy: -12.131 bonds (distance) P-C4' energy: -17.438 flat angles C4'-P-C4' energy: -15.607 flat angles P-C4'-P energy: -10.067 tors. eta vs tors. theta energy: -10.600 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: 1, replica: 3 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -286.882452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.882452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.882452 (E_RNA) where: Base-Base interactions energy: -211.868 where: short stacking energy: -89.006 Base-Backbone interact. energy: -0.632 local terms energy: -74.382623 where: bonds (distance) C4'-P energy: -20.144 bonds (distance) P-C4' energy: -11.838 flat angles C4'-P-C4' energy: -17.418 flat angles P-C4'-P energy: -3.939 tors. eta vs tors. theta energy: -21.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -280.849134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.849134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.849134 (E_RNA) where: Base-Base interactions energy: -196.655 where: short stacking energy: -89.824 Base-Backbone interact. energy: 0.837 local terms energy: -85.032015 where: bonds (distance) C4'-P energy: -18.662 bonds (distance) P-C4' energy: -19.595 flat angles C4'-P-C4' energy: -18.145 flat angles P-C4'-P energy: -9.074 tors. eta vs tors. theta energy: -19.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -286.662461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.662461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.662461 (E_RNA) where: Base-Base interactions energy: -202.716 where: short stacking energy: -86.876 Base-Backbone interact. energy: -2.111 local terms energy: -81.835439 where: bonds (distance) C4'-P energy: -14.868 bonds (distance) P-C4' energy: -17.088 flat angles C4'-P-C4' energy: -17.285 flat angles P-C4'-P energy: -10.065 tors. eta vs tors. theta energy: -22.530 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: 4, replica: 6 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -266.745966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.745966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.745966 (E_RNA) where: Base-Base interactions energy: -188.282 where: short stacking energy: -82.146 Base-Backbone interact. energy: -2.088 local terms energy: -76.375382 where: bonds (distance) C4'-P energy: -14.276 bonds (distance) P-C4' energy: -16.157 flat angles C4'-P-C4' energy: -18.605 flat angles P-C4'-P energy: -8.031 tors. eta vs tors. theta energy: -19.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -222.024153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.024153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.024153 (E_RNA) where: Base-Base interactions energy: -150.730 where: short stacking energy: -59.696 Base-Backbone interact. energy: -1.150 local terms energy: -70.144740 where: bonds (distance) C4'-P energy: -15.888 bonds (distance) P-C4' energy: -15.223 flat angles C4'-P-C4' energy: -11.196 flat angles P-C4'-P energy: -14.208 tors. eta vs tors. theta energy: -13.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -254.144425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.144425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.144425 (E_RNA) where: Base-Base interactions energy: -188.572 where: short stacking energy: -78.653 Base-Backbone interact. energy: 0.798 local terms energy: -66.370255 where: bonds (distance) C4'-P energy: -12.461 bonds (distance) P-C4' energy: -14.556 flat angles C4'-P-C4' energy: -17.428 flat angles P-C4'-P energy: -7.663 tors. eta vs tors. theta energy: -14.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -213.346275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.346275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.346275 (E_RNA) where: Base-Base interactions energy: -140.033 where: short stacking energy: -59.518 Base-Backbone interact. energy: -0.040 local terms energy: -73.273232 where: bonds (distance) C4'-P energy: -16.363 bonds (distance) P-C4' energy: -14.581 flat angles C4'-P-C4' energy: -17.993 flat angles P-C4'-P energy: -11.068 tors. eta vs tors. theta energy: -13.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -199.981643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.981643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.981643 (E_RNA) where: Base-Base interactions energy: -136.666 where: short stacking energy: -66.951 Base-Backbone interact. energy: -0.006 local terms energy: -63.309303 where: bonds (distance) C4'-P energy: -9.089 bonds (distance) P-C4' energy: -13.957 flat angles C4'-P-C4' energy: -17.340 flat angles P-C4'-P energy: -11.279 tors. eta vs tors. theta energy: -11.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -208.943274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.943274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.943274 (E_RNA) where: Base-Base interactions energy: -143.513 where: short stacking energy: -68.647 Base-Backbone interact. energy: -0.618 local terms energy: -64.812537 where: bonds (distance) C4'-P energy: -19.095 bonds (distance) P-C4' energy: -10.505 flat angles C4'-P-C4' energy: -12.658 flat angles P-C4'-P energy: -7.415 tors. eta vs tors. theta energy: -15.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -208.068965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.068965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.068965 (E_RNA) where: Base-Base interactions energy: -143.712 where: short stacking energy: -67.749 Base-Backbone interact. energy: 0.769 local terms energy: -65.126486 where: bonds (distance) C4'-P energy: -14.545 bonds (distance) P-C4' energy: -13.856 flat angles C4'-P-C4' energy: -16.739 flat angles P-C4'-P energy: -3.906 tors. eta vs tors. theta energy: -16.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -291.394397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.394397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.394397 (E_RNA) where: Base-Base interactions energy: -202.903 where: short stacking energy: -87.183 Base-Backbone interact. energy: -0.485 local terms energy: -88.006139 where: bonds (distance) C4'-P energy: -16.830 bonds (distance) P-C4' energy: -18.160 flat angles C4'-P-C4' energy: -18.584 flat angles P-C4'-P energy: -12.283 tors. eta vs tors. theta energy: -22.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -292.684373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.684373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.684373 (E_RNA) where: Base-Base interactions energy: -202.574 where: short stacking energy: -83.341 Base-Backbone interact. energy: -0.035 local terms energy: -90.075847 where: bonds (distance) C4'-P energy: -19.448 bonds (distance) P-C4' energy: -19.530 flat angles C4'-P-C4' energy: -20.540 flat angles P-C4'-P energy: -9.793 tors. eta vs tors. theta energy: -20.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -282.960328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.960328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.960328 (E_RNA) where: Base-Base interactions energy: -201.347 where: short stacking energy: -82.326 Base-Backbone interact. energy: -1.291 local terms energy: -80.323085 where: bonds (distance) C4'-P energy: -15.254 bonds (distance) P-C4' energy: -16.808 flat angles C4'-P-C4' energy: -17.251 flat angles P-C4'-P energy: -10.611 tors. eta vs tors. theta energy: -20.399 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: 4, replica: 6 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -258.933334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.933334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.933334 (E_RNA) where: Base-Base interactions energy: -184.641 where: short stacking energy: -85.590 Base-Backbone interact. energy: -1.743 local terms energy: -72.549768 where: bonds (distance) C4'-P energy: -13.946 bonds (distance) P-C4' energy: -19.063 flat angles C4'-P-C4' energy: -13.421 flat angles P-C4'-P energy: -8.797 tors. eta vs tors. theta energy: -17.323 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: 4 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -231.483656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.483656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.483656 (E_RNA) where: Base-Base interactions energy: -149.350 where: short stacking energy: -64.189 Base-Backbone interact. energy: -0.837 local terms energy: -81.297332 where: bonds (distance) C4'-P energy: -18.116 bonds (distance) P-C4' energy: -18.820 flat angles C4'-P-C4' energy: -18.659 flat angles P-C4'-P energy: -10.160 tors. eta vs tors. theta energy: -15.544 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: 10 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -231.234237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.234237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.234237 (E_RNA) where: Base-Base interactions energy: -154.364 where: short stacking energy: -79.592 Base-Backbone interact. energy: -0.913 local terms energy: -75.957026 where: bonds (distance) C4'-P energy: -14.878 bonds (distance) P-C4' energy: -16.739 flat angles C4'-P-C4' energy: -14.525 flat angles P-C4'-P energy: -10.232 tors. eta vs tors. theta energy: -19.583 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: 214 Temperature: 1.200000 Total energy: -207.479345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.479345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.479345 (E_RNA) where: Base-Base interactions energy: -137.660 where: short stacking energy: -69.967 Base-Backbone interact. energy: -0.243 local terms energy: -69.576155 where: bonds (distance) C4'-P energy: -18.359 bonds (distance) P-C4' energy: -14.614 flat angles C4'-P-C4' energy: -16.618 flat angles P-C4'-P energy: -10.186 tors. eta vs tors. theta energy: -9.800 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: 8, replica: 8 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -191.146300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.146300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.146300 (E_RNA) where: Base-Base interactions energy: -129.324 where: short stacking energy: -55.518 Base-Backbone interact. energy: 1.033 local terms energy: -62.856073 where: bonds (distance) C4'-P energy: -9.793 bonds (distance) P-C4' energy: -14.626 flat angles C4'-P-C4' energy: -20.096 flat angles P-C4'-P energy: -6.709 tors. eta vs tors. theta energy: -11.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -209.379390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.379390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.379390 (E_RNA) where: Base-Base interactions energy: -140.896 where: short stacking energy: -62.331 Base-Backbone interact. energy: -0.008 local terms energy: -68.475751 where: bonds (distance) C4'-P energy: -16.359 bonds (distance) P-C4' energy: -19.141 flat angles C4'-P-C4' energy: -14.392 flat angles P-C4'-P energy: -5.263 tors. eta vs tors. theta energy: -13.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -199.287008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.287008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.287008 (E_RNA) where: Base-Base interactions energy: -132.214 where: short stacking energy: -63.981 Base-Backbone interact. energy: -0.516 local terms energy: -66.557195 where: bonds (distance) C4'-P energy: -11.790 bonds (distance) P-C4' energy: -15.739 flat angles C4'-P-C4' energy: -15.749 flat angles P-C4'-P energy: -10.938 tors. eta vs tors. theta energy: -12.341 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: 1 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -294.224739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.224739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.224739 (E_RNA) where: Base-Base interactions energy: -204.944 where: short stacking energy: -93.297 Base-Backbone interact. energy: -0.177 local terms energy: -89.104229 where: bonds (distance) C4'-P energy: -18.136 bonds (distance) P-C4' energy: -19.234 flat angles C4'-P-C4' energy: -19.119 flat angles P-C4'-P energy: -8.850 tors. eta vs tors. theta energy: -23.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -298.003308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.003308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.003308 (E_RNA) where: Base-Base interactions energy: -209.966 where: short stacking energy: -91.265 Base-Backbone interact. energy: -2.223 local terms energy: -85.814433 where: bonds (distance) C4'-P energy: -17.931 bonds (distance) P-C4' energy: -15.669 flat angles C4'-P-C4' energy: -17.066 flat angles P-C4'-P energy: -12.235 tors. eta vs tors. theta energy: -22.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -270.976109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.976109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.976109 (E_RNA) where: Base-Base interactions energy: -185.732 where: short stacking energy: -79.646 Base-Backbone interact. energy: -1.369 local terms energy: -83.874212 where: bonds (distance) C4'-P energy: -16.379 bonds (distance) P-C4' energy: -19.305 flat angles C4'-P-C4' energy: -18.619 flat angles P-C4'-P energy: -12.383 tors. eta vs tors. theta energy: -17.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -260.458122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.458122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.458122 (E_RNA) where: Base-Base interactions energy: -183.626 where: short stacking energy: -86.196 Base-Backbone interact. energy: -0.702 local terms energy: -76.130712 where: bonds (distance) C4'-P energy: -15.642 bonds (distance) P-C4' energy: -18.364 flat angles C4'-P-C4' energy: -16.007 flat angles P-C4'-P energy: -9.144 tors. eta vs tors. theta energy: -16.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -240.692284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.692284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.692284 (E_RNA) where: Base-Base interactions energy: -166.951 where: short stacking energy: -80.013 Base-Backbone interact. energy: -0.266 local terms energy: -73.475284 where: bonds (distance) C4'-P energy: -12.814 bonds (distance) P-C4' energy: -13.144 flat angles C4'-P-C4' energy: -16.770 flat angles P-C4'-P energy: -8.618 tors. eta vs tors. theta energy: -22.130 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: 6, replica: 2 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -241.094718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.094718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.094718 (E_RNA) where: Base-Base interactions energy: -165.546 where: short stacking energy: -81.878 Base-Backbone interact. energy: -0.011 local terms energy: -75.537636 where: bonds (distance) C4'-P energy: -17.584 bonds (distance) P-C4' energy: -12.688 flat angles C4'-P-C4' energy: -16.239 flat angles P-C4'-P energy: -9.578 tors. eta vs tors. theta energy: -19.449 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: 10 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -229.432027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.432027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.432027 (E_RNA) where: Base-Base interactions energy: -160.178 where: short stacking energy: -82.709 Base-Backbone interact. energy: -1.198 local terms energy: -68.056111 where: bonds (distance) C4'-P energy: -11.263 bonds (distance) P-C4' energy: -13.971 flat angles C4'-P-C4' energy: -14.095 flat angles P-C4'-P energy: -12.865 tors. eta vs tors. theta energy: -15.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -213.074142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.074142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.074142 (E_RNA) where: Base-Base interactions energy: -137.686 where: short stacking energy: -59.580 Base-Backbone interact. energy: -0.616 local terms energy: -74.772054 where: bonds (distance) C4'-P energy: -16.396 bonds (distance) P-C4' energy: -17.487 flat angles C4'-P-C4' energy: -13.208 flat angles P-C4'-P energy: -10.414 tors. eta vs tors. theta energy: -17.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -198.020639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.020639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.020639 (E_RNA) where: Base-Base interactions energy: -138.068 where: short stacking energy: -61.923 Base-Backbone interact. energy: 1.093 local terms energy: -61.045362 where: bonds (distance) C4'-P energy: -15.863 bonds (distance) P-C4' energy: -13.997 flat angles C4'-P-C4' energy: -13.038 flat angles P-C4'-P energy: -4.676 tors. eta vs tors. theta energy: -13.472 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: 5 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -209.312416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.312416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.312416 (E_RNA) where: Base-Base interactions energy: -140.262 where: short stacking energy: -66.273 Base-Backbone interact. energy: 0.829 local terms energy: -69.880082 where: bonds (distance) C4'-P energy: -14.161 bonds (distance) P-C4' energy: -16.171 flat angles C4'-P-C4' energy: -13.884 flat angles P-C4'-P energy: -8.603 tors. eta vs tors. theta energy: -17.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -296.077839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.077839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.077839 (E_RNA) where: Base-Base interactions energy: -207.710 where: short stacking energy: -93.987 Base-Backbone interact. energy: -2.446 local terms energy: -85.921751 where: bonds (distance) C4'-P energy: -13.635 bonds (distance) P-C4' energy: -19.725 flat angles C4'-P-C4' energy: -19.720 flat angles P-C4'-P energy: -8.933 tors. eta vs tors. theta energy: -23.910 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: 1 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -287.884864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.884864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.884864 (E_RNA) where: Base-Base interactions energy: -205.040 where: short stacking energy: -91.742 Base-Backbone interact. energy: 0.106 local terms energy: -82.950868 where: bonds (distance) C4'-P energy: -18.375 bonds (distance) P-C4' energy: -16.755 flat angles C4'-P-C4' energy: -15.112 flat angles P-C4'-P energy: -11.149 tors. eta vs tors. theta energy: -21.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -275.915096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.915096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.915096 (E_RNA) where: Base-Base interactions energy: -194.701 where: short stacking energy: -88.248 Base-Backbone interact. energy: -0.995 local terms energy: -80.219274 where: bonds (distance) C4'-P energy: -17.561 bonds (distance) P-C4' energy: -18.663 flat angles C4'-P-C4' energy: -16.693 flat angles P-C4'-P energy: -8.737 tors. eta vs tors. theta energy: -18.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -261.949712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.949712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.949712 (E_RNA) where: Base-Base interactions energy: -179.886 where: short stacking energy: -83.155 Base-Backbone interact. energy: 0.071 local terms energy: -82.134996 where: bonds (distance) C4'-P energy: -15.249 bonds (distance) P-C4' energy: -19.064 flat angles C4'-P-C4' energy: -18.047 flat angles P-C4'-P energy: -10.884 tors. eta vs tors. theta energy: -18.890 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: 2 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -229.953730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.953730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.953730 (E_RNA) where: Base-Base interactions energy: -153.774 where: short stacking energy: -74.268 Base-Backbone interact. energy: -0.066 local terms energy: -76.114206 where: bonds (distance) C4'-P energy: -15.911 bonds (distance) P-C4' energy: -19.500 flat angles C4'-P-C4' energy: -14.119 flat angles P-C4'-P energy: -8.401 tors. eta vs tors. theta energy: -18.183 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: 4 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -240.665108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.665108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.665108 (E_RNA) where: Base-Base interactions energy: -156.294 where: short stacking energy: -71.122 Base-Backbone interact. energy: -0.927 local terms energy: -83.444343 where: bonds (distance) C4'-P energy: -19.406 bonds (distance) P-C4' energy: -16.798 flat angles C4'-P-C4' energy: -17.872 flat angles P-C4'-P energy: -9.192 tors. eta vs tors. theta energy: -20.176 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: 7, replica: 10 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -221.438076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.438076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.438076 (E_RNA) where: Base-Base interactions energy: -153.529 where: short stacking energy: -67.914 Base-Backbone interact. energy: -0.672 local terms energy: -67.236483 where: bonds (distance) C4'-P energy: -11.892 bonds (distance) P-C4' energy: -13.924 flat angles C4'-P-C4' energy: -17.105 flat angles P-C4'-P energy: -11.399 tors. eta vs tors. theta energy: -12.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -200.728849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.728849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.728849 (E_RNA) where: Base-Base interactions energy: -127.349 where: short stacking energy: -52.883 Base-Backbone interact. energy: -0.760 local terms energy: -72.619328 where: bonds (distance) C4'-P energy: -17.078 bonds (distance) P-C4' energy: -17.260 flat angles C4'-P-C4' energy: -16.244 flat angles P-C4'-P energy: -9.982 tors. eta vs tors. theta energy: -12.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -201.280592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.280592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.280592 (E_RNA) where: Base-Base interactions energy: -127.072 where: short stacking energy: -66.011 Base-Backbone interact. energy: -0.882 local terms energy: -73.326627 where: bonds (distance) C4'-P energy: -12.861 bonds (distance) P-C4' energy: -15.093 flat angles C4'-P-C4' energy: -19.116 flat angles P-C4'-P energy: -13.207 tors. eta vs tors. theta energy: -13.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -194.177548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.177548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.177548 (E_RNA) where: Base-Base interactions energy: -124.621 where: short stacking energy: -55.457 Base-Backbone interact. energy: -0.087 local terms energy: -69.469435 where: bonds (distance) C4'-P energy: -11.478 bonds (distance) P-C4' energy: -14.932 flat angles C4'-P-C4' energy: -17.852 flat angles P-C4'-P energy: -14.808 tors. eta vs tors. theta energy: -10.399 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: 7 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -290.009393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.009393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.009393 (E_RNA) where: Base-Base interactions energy: -204.554 where: short stacking energy: -89.619 Base-Backbone interact. energy: -1.804 local terms energy: -83.652190 where: bonds (distance) C4'-P energy: -14.476 bonds (distance) P-C4' energy: -18.129 flat angles C4'-P-C4' energy: -17.779 flat angles P-C4'-P energy: -9.756 tors. eta vs tors. theta energy: -23.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -288.284738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.284738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.284738 (E_RNA) where: Base-Base interactions energy: -204.060 where: short stacking energy: -88.731 Base-Backbone interact. energy: 0.293 local terms energy: -84.517849 where: bonds (distance) C4'-P energy: -16.940 bonds (distance) P-C4' energy: -20.147 flat angles C4'-P-C4' energy: -17.711 flat angles P-C4'-P energy: -8.999 tors. eta vs tors. theta energy: -20.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -278.559873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.559873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.559873 (E_RNA) where: Base-Base interactions energy: -196.177 where: short stacking energy: -93.983 Base-Backbone interact. energy: -0.898 local terms energy: -81.484449 where: bonds (distance) C4'-P energy: -15.514 bonds (distance) P-C4' energy: -19.951 flat angles C4'-P-C4' energy: -14.646 flat angles P-C4'-P energy: -10.505 tors. eta vs tors. theta energy: -20.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -251.216069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.216069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.216069 (E_RNA) where: Base-Base interactions energy: -184.814 where: short stacking energy: -84.410 Base-Backbone interact. energy: -0.063 local terms energy: -66.339181 where: bonds (distance) C4'-P energy: -8.695 bonds (distance) P-C4' energy: -14.342 flat angles C4'-P-C4' energy: -16.218 flat angles P-C4'-P energy: -6.998 tors. eta vs tors. theta energy: -20.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -238.899819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.899819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.899819 (E_RNA) where: Base-Base interactions energy: -158.318 where: short stacking energy: -80.437 Base-Backbone interact. energy: -0.177 local terms energy: -80.405036 where: bonds (distance) C4'-P energy: -16.352 bonds (distance) P-C4' energy: -17.148 flat angles C4'-P-C4' energy: -13.173 flat angles P-C4'-P energy: -13.902 tors. eta vs tors. theta energy: -19.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -210.699077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.699077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.699077 (E_RNA) where: Base-Base interactions energy: -138.205 where: short stacking energy: -62.913 Base-Backbone interact. energy: -0.050 local terms energy: -72.444456 where: bonds (distance) C4'-P energy: -15.043 bonds (distance) P-C4' energy: -15.223 flat angles C4'-P-C4' energy: -17.079 flat angles P-C4'-P energy: -9.028 tors. eta vs tors. theta energy: -16.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -222.881313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.881313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.881313 (E_RNA) where: Base-Base interactions energy: -156.965 where: short stacking energy: -71.279 Base-Backbone interact. energy: -0.105 local terms energy: -65.811400 where: bonds (distance) C4'-P energy: -14.232 bonds (distance) P-C4' energy: -12.607 flat angles C4'-P-C4' energy: -14.556 flat angles P-C4'-P energy: -8.193 tors. eta vs tors. theta energy: -16.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -192.018279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.018279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.018279 (E_RNA) where: Base-Base interactions energy: -135.783 where: short stacking energy: -59.831 Base-Backbone interact. energy: -0.934 local terms energy: -55.300903 where: bonds (distance) C4'-P energy: -12.816 bonds (distance) P-C4' energy: -7.847 flat angles C4'-P-C4' energy: -14.781 flat angles P-C4'-P energy: -7.942 tors. eta vs tors. theta energy: -11.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -204.572221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.572221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.572221 (E_RNA) where: Base-Base interactions energy: -136.279 where: short stacking energy: -68.483 Base-Backbone interact. energy: -0.684 local terms energy: -67.608834 where: bonds (distance) C4'-P energy: -13.808 bonds (distance) P-C4' energy: -17.869 flat angles C4'-P-C4' energy: -18.587 flat angles P-C4'-P energy: -4.966 tors. eta vs tors. theta energy: -12.379 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: 5 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -202.488826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.488826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.488826 (E_RNA) where: Base-Base interactions energy: -148.961 where: short stacking energy: -68.645 Base-Backbone interact. energy: 1.659 local terms energy: -55.186153 where: bonds (distance) C4'-P energy: -8.836 bonds (distance) P-C4' energy: -16.626 flat angles C4'-P-C4' energy: -12.275 flat angles P-C4'-P energy: -5.755 tors. eta vs tors. theta energy: -11.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -291.169771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.169771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.169771 (E_RNA) where: Base-Base interactions energy: -206.270 where: short stacking energy: -93.603 Base-Backbone interact. energy: -1.397 local terms energy: -83.502067 where: bonds (distance) C4'-P energy: -16.061 bonds (distance) P-C4' energy: -19.162 flat angles C4'-P-C4' energy: -17.772 flat angles P-C4'-P energy: -7.251 tors. eta vs tors. theta energy: -23.256 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: 7 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -286.358718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.358718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.358718 (E_RNA) where: Base-Base interactions energy: -200.115 where: short stacking energy: -89.169 Base-Backbone interact. energy: -2.414 local terms energy: -83.829531 where: bonds (distance) C4'-P energy: -13.822 bonds (distance) P-C4' energy: -16.581 flat angles C4'-P-C4' energy: -19.298 flat angles P-C4'-P energy: -11.842 tors. eta vs tors. theta energy: -22.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -280.836139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.836139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.836139 (E_RNA) where: Base-Base interactions energy: -201.326 where: short stacking energy: -84.095 Base-Backbone interact. energy: -1.427 local terms energy: -78.083288 where: bonds (distance) C4'-P energy: -13.032 bonds (distance) P-C4' energy: -18.083 flat angles C4'-P-C4' energy: -18.270 flat angles P-C4'-P energy: -7.647 tors. eta vs tors. theta energy: -21.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -253.761666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.761666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.761666 (E_RNA) where: Base-Base interactions energy: -178.377 where: short stacking energy: -78.608 Base-Backbone interact. energy: -0.920 local terms energy: -74.464987 where: bonds (distance) C4'-P energy: -8.670 bonds (distance) P-C4' energy: -19.239 flat angles C4'-P-C4' energy: -17.577 flat angles P-C4'-P energy: -8.435 tors. eta vs tors. theta energy: -20.543 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: 10 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -226.825310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.825310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.825310 (E_RNA) where: Base-Base interactions energy: -147.932 where: short stacking energy: -78.426 Base-Backbone interact. energy: -0.382 local terms energy: -78.510909 where: bonds (distance) C4'-P energy: -17.272 bonds (distance) P-C4' energy: -12.866 flat angles C4'-P-C4' energy: -20.136 flat angles P-C4'-P energy: -11.966 tors. eta vs tors. theta energy: -16.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -227.838021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.838021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.838021 (E_RNA) where: Base-Base interactions energy: -152.953 where: short stacking energy: -75.333 Base-Backbone interact. energy: -0.011 local terms energy: -74.874193 where: bonds (distance) C4'-P energy: -16.590 bonds (distance) P-C4' energy: -15.632 flat angles C4'-P-C4' energy: -17.641 flat angles P-C4'-P energy: -6.642 tors. eta vs tors. theta energy: -18.369 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: 8 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -213.921152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.921152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.921152 (E_RNA) where: Base-Base interactions energy: -144.037 where: short stacking energy: -67.097 Base-Backbone interact. energy: -0.144 local terms energy: -69.740888 where: bonds (distance) C4'-P energy: -15.837 bonds (distance) P-C4' energy: -14.629 flat angles C4'-P-C4' energy: -16.209 flat angles P-C4'-P energy: -8.944 tors. eta vs tors. theta energy: -14.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -222.764972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.764972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.764972 (E_RNA) where: Base-Base interactions energy: -155.189 where: short stacking energy: -70.859 Base-Backbone interact. energy: 0.025 local terms energy: -67.600708 where: bonds (distance) C4'-P energy: -10.505 bonds (distance) P-C4' energy: -15.849 flat angles C4'-P-C4' energy: -15.389 flat angles P-C4'-P energy: -4.438 tors. eta vs tors. theta energy: -21.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -200.459750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.459750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.459750 (E_RNA) where: Base-Base interactions energy: -135.791 where: short stacking energy: -55.125 Base-Backbone interact. energy: -0.163 local terms energy: -64.506236 where: bonds (distance) C4'-P energy: -14.078 bonds (distance) P-C4' energy: -20.219 flat angles C4'-P-C4' energy: -12.467 flat angles P-C4'-P energy: -7.088 tors. eta vs tors. theta energy: -10.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -184.199042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.199042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.199042 (E_RNA) where: Base-Base interactions energy: -125.986 where: short stacking energy: -54.596 Base-Backbone interact. energy: -0.574 local terms energy: -57.638626 where: bonds (distance) C4'-P energy: -10.886 bonds (distance) P-C4' energy: -14.122 flat angles C4'-P-C4' energy: -14.713 flat angles P-C4'-P energy: -4.704 tors. eta vs tors. theta energy: -13.214 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: 3 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -300.759618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.759618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.759618 (E_RNA) where: Base-Base interactions energy: -213.765 where: short stacking energy: -98.720 Base-Backbone interact. energy: -1.961 local terms energy: -85.033820 where: bonds (distance) C4'-P energy: -15.928 bonds (distance) P-C4' energy: -18.188 flat angles C4'-P-C4' energy: -16.774 flat angles P-C4'-P energy: -10.744 tors. eta vs tors. theta energy: -23.400 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: 1 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -293.874715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.874715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.874715 (E_RNA) where: Base-Base interactions energy: -210.381 where: short stacking energy: -89.284 Base-Backbone interact. energy: -1.832 local terms energy: -81.661549 where: bonds (distance) C4'-P energy: -15.523 bonds (distance) P-C4' energy: -16.785 flat angles C4'-P-C4' energy: -18.748 flat angles P-C4'-P energy: -9.543 tors. eta vs tors. theta energy: -21.063 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: 3, replica: 7 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -289.791381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.791381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.791381 (E_RNA) where: Base-Base interactions energy: -208.140 where: short stacking energy: -85.498 Base-Backbone interact. energy: -0.936 local terms energy: -80.715785 where: bonds (distance) C4'-P energy: -17.441 bonds (distance) P-C4' energy: -15.933 flat angles C4'-P-C4' energy: -16.902 flat angles P-C4'-P energy: -7.137 tors. eta vs tors. theta energy: -23.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -217.955183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.955183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.955183 (E_RNA) where: Base-Base interactions energy: -146.288 where: short stacking energy: -70.273 Base-Backbone interact. energy: -0.131 local terms energy: -71.535551 where: bonds (distance) C4'-P energy: -18.517 bonds (distance) P-C4' energy: -14.309 flat angles C4'-P-C4' energy: -14.664 flat angles P-C4'-P energy: -10.436 tors. eta vs tors. theta energy: -13.609 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: 6 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -246.538944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.538944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.538944 (E_RNA) where: Base-Base interactions energy: -175.651 where: short stacking energy: -69.992 Base-Backbone interact. energy: -0.941 local terms energy: -69.947554 where: bonds (distance) C4'-P energy: -18.339 bonds (distance) P-C4' energy: -13.454 flat angles C4'-P-C4' energy: -12.454 flat angles P-C4'-P energy: -8.084 tors. eta vs tors. theta energy: -17.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -227.467065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.467065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.467065 (E_RNA) where: Base-Base interactions energy: -150.386 where: short stacking energy: -75.737 Base-Backbone interact. energy: -0.126 local terms energy: -76.954985 where: bonds (distance) C4'-P energy: -16.410 bonds (distance) P-C4' energy: -17.304 flat angles C4'-P-C4' energy: -16.563 flat angles P-C4'-P energy: -10.582 tors. eta vs tors. theta energy: -16.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -217.923202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.923202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.923202 (E_RNA) where: Base-Base interactions energy: -146.928 where: short stacking energy: -72.172 Base-Backbone interact. energy: 0.359 local terms energy: -71.354671 where: bonds (distance) C4'-P energy: -14.666 bonds (distance) P-C4' energy: -11.662 flat angles C4'-P-C4' energy: -19.139 flat angles P-C4'-P energy: -8.734 tors. eta vs tors. theta energy: -17.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -202.587057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.587057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.587057 (E_RNA) where: Base-Base interactions energy: -129.041 where: short stacking energy: -61.037 Base-Backbone interact. energy: -0.628 local terms energy: -72.917909 where: bonds (distance) C4'-P energy: -14.571 bonds (distance) P-C4' energy: -14.927 flat angles C4'-P-C4' energy: -16.134 flat angles P-C4'-P energy: -10.223 tors. eta vs tors. theta energy: -17.063 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: 9, replica: 4 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -205.593132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.593132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.593132 (E_RNA) where: Base-Base interactions energy: -134.979 where: short stacking energy: -65.477 Base-Backbone interact. energy: -0.872 local terms energy: -69.741762 where: bonds (distance) C4'-P energy: -10.496 bonds (distance) P-C4' energy: -16.076 flat angles C4'-P-C4' energy: -17.074 flat angles P-C4'-P energy: -9.153 tors. eta vs tors. theta energy: -16.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -181.964033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.964033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.964033 (E_RNA) where: Base-Base interactions energy: -126.329 where: short stacking energy: -53.787 Base-Backbone interact. energy: -0.156 local terms energy: -55.478850 where: bonds (distance) C4'-P energy: -13.992 bonds (distance) P-C4' energy: -14.258 flat angles C4'-P-C4' energy: -12.921 flat angles P-C4'-P energy: -3.043 tors. eta vs tors. theta energy: -11.266 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: 3 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -296.171662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.171662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.171662 (E_RNA) where: Base-Base interactions energy: -216.048 where: short stacking energy: -94.340 Base-Backbone interact. energy: -2.028 local terms energy: -78.095322 where: bonds (distance) C4'-P energy: -12.990 bonds (distance) P-C4' energy: -14.586 flat angles C4'-P-C4' energy: -17.598 flat angles P-C4'-P energy: -11.523 tors. eta vs tors. theta energy: -21.398 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: 220 Temperature: 0.950000 Total energy: -285.299091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.299091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.299091 (E_RNA) where: Base-Base interactions energy: -201.290 where: short stacking energy: -89.861 Base-Backbone interact. energy: -0.086 local terms energy: -83.923751 where: bonds (distance) C4'-P energy: -17.817 bonds (distance) P-C4' energy: -16.878 flat angles C4'-P-C4' energy: -18.378 flat angles P-C4'-P energy: -11.903 tors. eta vs tors. theta energy: -18.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -272.115917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.115917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.115917 (E_RNA) where: Base-Base interactions energy: -186.183 where: short stacking energy: -79.321 Base-Backbone interact. energy: -0.798 local terms energy: -85.134983 where: bonds (distance) C4'-P energy: -14.870 bonds (distance) P-C4' energy: -19.947 flat angles C4'-P-C4' energy: -15.724 flat angles P-C4'-P energy: -13.268 tors. eta vs tors. theta energy: -21.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -232.240221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.240221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.240221 (E_RNA) where: Base-Base interactions energy: -149.625 where: short stacking energy: -75.278 Base-Backbone interact. energy: -0.085 local terms energy: -82.529912 where: bonds (distance) C4'-P energy: -17.192 bonds (distance) P-C4' energy: -17.316 flat angles C4'-P-C4' energy: -16.806 flat angles P-C4'-P energy: -8.350 tors. eta vs tors. theta energy: -22.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -252.974158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.974158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.974158 (E_RNA) where: Base-Base interactions energy: -177.549 where: short stacking energy: -74.760 Base-Backbone interact. energy: -0.597 local terms energy: -74.827799 where: bonds (distance) C4'-P energy: -16.322 bonds (distance) P-C4' energy: -17.166 flat angles C4'-P-C4' energy: -15.397 flat angles P-C4'-P energy: -8.724 tors. eta vs tors. theta energy: -17.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -212.705092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.705092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.705092 (E_RNA) where: Base-Base interactions energy: -155.109 where: short stacking energy: -67.332 Base-Backbone interact. energy: -0.192 local terms energy: -57.404730 where: bonds (distance) C4'-P energy: -12.771 bonds (distance) P-C4' energy: -12.955 flat angles C4'-P-C4' energy: -12.082 flat angles P-C4'-P energy: -8.183 tors. eta vs tors. theta energy: -11.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -207.352075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.352075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.352075 (E_RNA) where: Base-Base interactions energy: -132.393 where: short stacking energy: -61.392 Base-Backbone interact. energy: -0.246 local terms energy: -74.713717 where: bonds (distance) C4'-P energy: -17.988 bonds (distance) P-C4' energy: -14.728 flat angles C4'-P-C4' energy: -18.695 flat angles P-C4'-P energy: -8.702 tors. eta vs tors. theta energy: -14.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -203.285174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.285174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.285174 (E_RNA) where: Base-Base interactions energy: -137.547 where: short stacking energy: -62.559 Base-Backbone interact. energy: -0.480 local terms energy: -65.258374 where: bonds (distance) C4'-P energy: -15.826 bonds (distance) P-C4' energy: -15.414 flat angles C4'-P-C4' energy: -11.637 flat angles P-C4'-P energy: -10.747 tors. eta vs tors. theta energy: -11.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -209.652463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.652463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.652463 (E_RNA) where: Base-Base interactions energy: -153.413 where: short stacking energy: -74.222 Base-Backbone interact. energy: 1.287 local terms energy: -57.526585 where: bonds (distance) C4'-P energy: -16.322 bonds (distance) P-C4' energy: -7.293 flat angles C4'-P-C4' energy: -16.735 flat angles P-C4'-P energy: -5.217 tors. eta vs tors. theta energy: -11.960 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: 10, replica: 4 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -196.940883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.940883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.940883 (E_RNA) where: Base-Base interactions energy: -130.419 where: short stacking energy: -61.743 Base-Backbone interact. energy: -0.189 local terms energy: -66.332128 where: bonds (distance) C4'-P energy: -9.465 bonds (distance) P-C4' energy: -15.783 flat angles C4'-P-C4' energy: -15.143 flat angles P-C4'-P energy: -8.362 tors. eta vs tors. theta energy: -17.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -295.966809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.966809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.966809 (E_RNA) where: Base-Base interactions energy: -206.480 where: short stacking energy: -92.854 Base-Backbone interact. energy: -2.128 local terms energy: -87.358135 where: bonds (distance) C4'-P energy: -15.664 bonds (distance) P-C4' energy: -16.540 flat angles C4'-P-C4' energy: -19.454 flat angles P-C4'-P energy: -11.107 tors. eta vs tors. theta energy: -24.593 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: 1 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -278.207721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.207721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.207721 (E_RNA) where: Base-Base interactions energy: -200.538 where: short stacking energy: -74.823 Base-Backbone interact. energy: -1.262 local terms energy: -76.407853 where: bonds (distance) C4'-P energy: -15.547 bonds (distance) P-C4' energy: -13.785 flat angles C4'-P-C4' energy: -16.563 flat angles P-C4'-P energy: -13.121 tors. eta vs tors. theta energy: -17.393 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: 7 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -273.967233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.967233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.967233 (E_RNA) where: Base-Base interactions energy: -192.609 where: short stacking energy: -91.195 Base-Backbone interact. energy: -0.820 local terms energy: -80.537503 where: bonds (distance) C4'-P energy: -15.594 bonds (distance) P-C4' energy: -19.276 flat angles C4'-P-C4' energy: -17.958 flat angles P-C4'-P energy: -9.461 tors. eta vs tors. theta energy: -18.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -270.434245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.434245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.434245 (E_RNA) where: Base-Base interactions energy: -190.604 where: short stacking energy: -85.690 Base-Backbone interact. energy: -0.949 local terms energy: -78.881390 where: bonds (distance) C4'-P energy: -16.446 bonds (distance) P-C4' energy: -15.947 flat angles C4'-P-C4' energy: -19.358 flat angles P-C4'-P energy: -8.515 tors. eta vs tors. theta energy: -18.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -223.308752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.308752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.308752 (E_RNA) where: Base-Base interactions energy: -146.537 where: short stacking energy: -75.707 Base-Backbone interact. energy: -0.101 local terms energy: -76.670430 where: bonds (distance) C4'-P energy: -15.630 bonds (distance) P-C4' energy: -16.364 flat angles C4'-P-C4' energy: -18.629 flat angles P-C4'-P energy: -11.953 tors. eta vs tors. theta energy: -14.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -233.455449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.455449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.455449 (E_RNA) where: Base-Base interactions energy: -160.610 where: short stacking energy: -73.261 Base-Backbone interact. energy: -0.590 local terms energy: -72.255323 where: bonds (distance) C4'-P energy: -18.015 bonds (distance) P-C4' energy: -18.967 flat angles C4'-P-C4' energy: -15.220 flat angles P-C4'-P energy: -6.630 tors. eta vs tors. theta energy: -13.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -206.815659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.815659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.815659 (E_RNA) where: Base-Base interactions energy: -139.060 where: short stacking energy: -62.617 Base-Backbone interact. energy: -0.157 local terms energy: -67.598257 where: bonds (distance) C4'-P energy: -10.368 bonds (distance) P-C4' energy: -14.565 flat angles C4'-P-C4' energy: -14.729 flat angles P-C4'-P energy: -10.134 tors. eta vs tors. theta energy: -17.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -203.296246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.296246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.296246 (E_RNA) where: Base-Base interactions energy: -132.925 where: short stacking energy: -58.847 Base-Backbone interact. energy: -0.456 local terms energy: -69.914922 where: bonds (distance) C4'-P energy: -14.193 bonds (distance) P-C4' energy: -16.712 flat angles C4'-P-C4' energy: -11.511 flat angles P-C4'-P energy: -13.945 tors. eta vs tors. theta energy: -13.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -203.608291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.608291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.608291 (E_RNA) where: Base-Base interactions energy: -130.709 where: short stacking energy: -58.603 Base-Backbone interact. energy: -0.678 local terms energy: -72.221036 where: bonds (distance) C4'-P energy: -15.279 bonds (distance) P-C4' energy: -15.704 flat angles C4'-P-C4' energy: -18.494 flat angles P-C4'-P energy: -11.947 tors. eta vs tors. theta energy: -10.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -197.600108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.600108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.600108 (E_RNA) where: Base-Base interactions energy: -134.285 where: short stacking energy: -61.448 Base-Backbone interact. energy: -0.006 local terms energy: -63.308608 where: bonds (distance) C4'-P energy: -16.164 bonds (distance) P-C4' energy: -11.072 flat angles C4'-P-C4' energy: -15.412 flat angles P-C4'-P energy: -6.547 tors. eta vs tors. theta energy: -14.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -293.204999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.204999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.204999 (E_RNA) where: Base-Base interactions energy: -207.188 where: short stacking energy: -91.925 Base-Backbone interact. energy: -1.106 local terms energy: -84.910799 where: bonds (distance) C4'-P energy: -14.719 bonds (distance) P-C4' energy: -16.898 flat angles C4'-P-C4' energy: -17.417 flat angles P-C4'-P energy: -11.497 tors. eta vs tors. theta energy: -24.379 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: 1 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -284.151496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.151496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.151496 (E_RNA) where: Base-Base interactions energy: -199.893 where: short stacking energy: -89.111 Base-Backbone interact. energy: -1.556 local terms energy: -82.702882 where: bonds (distance) C4'-P energy: -12.200 bonds (distance) P-C4' energy: -19.999 flat angles C4'-P-C4' energy: -18.897 flat angles P-C4'-P energy: -10.226 tors. eta vs tors. theta energy: -21.381 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: 6 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -266.817581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.817581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.817581 (E_RNA) where: Base-Base interactions energy: -188.388 where: short stacking energy: -84.960 Base-Backbone interact. energy: -0.682 local terms energy: -77.747357 where: bonds (distance) C4'-P energy: -13.539 bonds (distance) P-C4' energy: -17.104 flat angles C4'-P-C4' energy: -17.390 flat angles P-C4'-P energy: -10.362 tors. eta vs tors. theta energy: -19.351 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: 7 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -276.534296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.534296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.534296 (E_RNA) where: Base-Base interactions energy: -197.312 where: short stacking energy: -86.136 Base-Backbone interact. energy: 2.201 local terms energy: -81.422744 where: bonds (distance) C4'-P energy: -18.959 bonds (distance) P-C4' energy: -12.715 flat angles C4'-P-C4' energy: -19.401 flat angles P-C4'-P energy: -7.584 tors. eta vs tors. theta energy: -22.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -228.571383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.571383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.571383 (E_RNA) where: Base-Base interactions energy: -154.708 where: short stacking energy: -75.124 Base-Backbone interact. energy: 0.235 local terms energy: -74.098512 where: bonds (distance) C4'-P energy: -12.676 bonds (distance) P-C4' energy: -18.919 flat angles C4'-P-C4' energy: -16.167 flat angles P-C4'-P energy: -12.257 tors. eta vs tors. theta energy: -14.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -220.070710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.070710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.070710 (E_RNA) where: Base-Base interactions energy: -142.353 where: short stacking energy: -71.842 Base-Backbone interact. energy: -1.965 local terms energy: -75.752929 where: bonds (distance) C4'-P energy: -18.897 bonds (distance) P-C4' energy: -15.472 flat angles C4'-P-C4' energy: -14.863 flat angles P-C4'-P energy: -8.833 tors. eta vs tors. theta energy: -17.689 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: 2 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -203.524494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.524494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.524494 (E_RNA) where: Base-Base interactions energy: -138.794 where: short stacking energy: -61.277 Base-Backbone interact. energy: 0.142 local terms energy: -64.872880 where: bonds (distance) C4'-P energy: -17.759 bonds (distance) P-C4' energy: -18.644 flat angles C4'-P-C4' energy: -10.826 flat angles P-C4'-P energy: -6.807 tors. eta vs tors. theta energy: -10.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -195.814490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.814490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.814490 (E_RNA) where: Base-Base interactions energy: -130.170 where: short stacking energy: -66.777 Base-Backbone interact. energy: 2.042 local terms energy: -67.687330 where: bonds (distance) C4'-P energy: -17.039 bonds (distance) P-C4' energy: -15.997 flat angles C4'-P-C4' energy: -13.612 flat angles P-C4'-P energy: -6.126 tors. eta vs tors. theta energy: -14.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -205.111999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.111999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.111999 (E_RNA) where: Base-Base interactions energy: -143.633 where: short stacking energy: -71.058 Base-Backbone interact. energy: 1.863 local terms energy: -63.341849 where: bonds (distance) C4'-P energy: -11.213 bonds (distance) P-C4' energy: -11.090 flat angles C4'-P-C4' energy: -14.900 flat angles P-C4'-P energy: -12.322 tors. eta vs tors. theta energy: -13.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -203.411228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.411228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.411228 (E_RNA) where: Base-Base interactions energy: -132.668 where: short stacking energy: -57.578 Base-Backbone interact. energy: -0.204 local terms energy: -70.538589 where: bonds (distance) C4'-P energy: -16.904 bonds (distance) P-C4' energy: -15.575 flat angles C4'-P-C4' energy: -18.722 flat angles P-C4'-P energy: -8.683 tors. eta vs tors. theta energy: -10.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -293.136108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.136108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.136108 (E_RNA) where: Base-Base interactions energy: -208.328 where: short stacking energy: -93.620 Base-Backbone interact. energy: -1.790 local terms energy: -83.018385 where: bonds (distance) C4'-P energy: -13.837 bonds (distance) P-C4' energy: -20.609 flat angles C4'-P-C4' energy: -16.815 flat angles P-C4'-P energy: -7.281 tors. eta vs tors. theta energy: -24.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -283.759550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.759550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.759550 (E_RNA) where: Base-Base interactions energy: -201.822 where: short stacking energy: -85.765 Base-Backbone interact. energy: -0.138 local terms energy: -81.799838 where: bonds (distance) C4'-P energy: -18.933 bonds (distance) P-C4' energy: -17.956 flat angles C4'-P-C4' energy: -18.026 flat angles P-C4'-P energy: -10.373 tors. eta vs tors. theta energy: -16.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -282.568855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.568855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.568855 (E_RNA) where: Base-Base interactions energy: -199.257 where: short stacking energy: -88.366 Base-Backbone interact. energy: -1.350 local terms energy: -81.962343 where: bonds (distance) C4'-P energy: -16.368 bonds (distance) P-C4' energy: -17.688 flat angles C4'-P-C4' energy: -12.498 flat angles P-C4'-P energy: -11.311 tors. eta vs tors. theta energy: -24.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -236.805264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.805264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.805264 (E_RNA) where: Base-Base interactions energy: -156.732 where: short stacking energy: -77.053 Base-Backbone interact. energy: -0.165 local terms energy: -79.907766 where: bonds (distance) C4'-P energy: -18.429 bonds (distance) P-C4' energy: -15.183 flat angles C4'-P-C4' energy: -20.356 flat angles P-C4'-P energy: -10.116 tors. eta vs tors. theta energy: -15.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -265.564774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.564774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.564774 (E_RNA) where: Base-Base interactions energy: -188.535 where: short stacking energy: -78.995 Base-Backbone interact. energy: -1.931 local terms energy: -75.099001 where: bonds (distance) C4'-P energy: -16.753 bonds (distance) P-C4' energy: -17.921 flat angles C4'-P-C4' energy: -13.803 flat angles P-C4'-P energy: -11.054 tors. eta vs tors. theta energy: -15.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -228.978991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.978991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.978991 (E_RNA) where: Base-Base interactions energy: -149.867 where: short stacking energy: -74.563 Base-Backbone interact. energy: -0.718 local terms energy: -78.394046 where: bonds (distance) C4'-P energy: -17.159 bonds (distance) P-C4' energy: -20.564 flat angles C4'-P-C4' energy: -15.036 flat angles P-C4'-P energy: -7.767 tors. eta vs tors. theta energy: -17.869 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: 223 Temperature: 1.200000 Total energy: -226.100423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.100423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.100423 (E_RNA) where: Base-Base interactions energy: -150.128 where: short stacking energy: -67.014 Base-Backbone interact. energy: -0.010 local terms energy: -75.963183 where: bonds (distance) C4'-P energy: -15.834 bonds (distance) P-C4' energy: -14.000 flat angles C4'-P-C4' energy: -18.091 flat angles P-C4'-P energy: -10.588 tors. eta vs tors. theta energy: -17.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -207.236704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.236704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.236704 (E_RNA) where: Base-Base interactions energy: -142.012 where: short stacking energy: -65.309 Base-Backbone interact. energy: -0.160 local terms energy: -65.064337 where: bonds (distance) C4'-P energy: -11.258 bonds (distance) P-C4' energy: -19.908 flat angles C4'-P-C4' energy: -15.067 flat angles P-C4'-P energy: -6.339 tors. eta vs tors. theta energy: -12.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -198.543378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.543378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.543378 (E_RNA) where: Base-Base interactions energy: -138.983 where: short stacking energy: -62.354 Base-Backbone interact. energy: -0.123 local terms energy: -59.437354 where: bonds (distance) C4'-P energy: -11.772 bonds (distance) P-C4' energy: -20.451 flat angles C4'-P-C4' energy: -11.298 flat angles P-C4'-P energy: -6.338 tors. eta vs tors. theta energy: -9.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -216.295966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.295966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.295966 (E_RNA) where: Base-Base interactions energy: -142.956 where: short stacking energy: -66.525 Base-Backbone interact. energy: -0.685 local terms energy: -72.655699 where: bonds (distance) C4'-P energy: -15.072 bonds (distance) P-C4' energy: -13.584 flat angles C4'-P-C4' energy: -17.926 flat angles P-C4'-P energy: -8.758 tors. eta vs tors. theta energy: -17.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -293.855527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.855527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.855527 (E_RNA) where: Base-Base interactions energy: -200.813 where: short stacking energy: -89.460 Base-Backbone interact. energy: -1.981 local terms energy: -91.062079 where: bonds (distance) C4'-P energy: -17.923 bonds (distance) P-C4' energy: -20.131 flat angles C4'-P-C4' energy: -18.803 flat angles P-C4'-P energy: -10.157 tors. eta vs tors. theta energy: -24.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -283.385516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.385516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.385516 (E_RNA) where: Base-Base interactions energy: -200.104 where: short stacking energy: -84.522 Base-Backbone interact. energy: -0.989 local terms energy: -82.292631 where: bonds (distance) C4'-P energy: -18.968 bonds (distance) P-C4' energy: -16.666 flat angles C4'-P-C4' energy: -17.157 flat angles P-C4'-P energy: -8.212 tors. eta vs tors. theta energy: -21.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -281.535030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.535030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.535030 (E_RNA) where: Base-Base interactions energy: -205.698 where: short stacking energy: -90.530 Base-Backbone interact. energy: -1.507 local terms energy: -74.330140 where: bonds (distance) C4'-P energy: -12.049 bonds (distance) P-C4' energy: -15.891 flat angles C4'-P-C4' energy: -17.775 flat angles P-C4'-P energy: -5.425 tors. eta vs tors. theta energy: -23.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -247.155035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.155035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.155035 (E_RNA) where: Base-Base interactions energy: -170.173 where: short stacking energy: -87.081 Base-Backbone interact. energy: -0.188 local terms energy: -76.794565 where: bonds (distance) C4'-P energy: -11.340 bonds (distance) P-C4' energy: -17.039 flat angles C4'-P-C4' energy: -18.233 flat angles P-C4'-P energy: -11.244 tors. eta vs tors. theta energy: -18.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -225.520356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.520356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.520356 (E_RNA) where: Base-Base interactions energy: -145.494 where: short stacking energy: -72.893 Base-Backbone interact. energy: -0.291 local terms energy: -79.734951 where: bonds (distance) C4'-P energy: -16.748 bonds (distance) P-C4' energy: -16.029 flat angles C4'-P-C4' energy: -16.690 flat angles P-C4'-P energy: -9.745 tors. eta vs tors. theta energy: -20.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -250.678829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.678829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.678829 (E_RNA) where: Base-Base interactions energy: -172.342 where: short stacking energy: -67.766 Base-Backbone interact. energy: -2.135 local terms energy: -76.201746 where: bonds (distance) C4'-P energy: -17.241 bonds (distance) P-C4' energy: -19.249 flat angles C4'-P-C4' energy: -14.970 flat angles P-C4'-P energy: -11.577 tors. eta vs tors. theta energy: -13.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -221.582259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.582259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.582259 (E_RNA) where: Base-Base interactions energy: -148.523 where: short stacking energy: -71.909 Base-Backbone interact. energy: 0.190 local terms energy: -73.248833 where: bonds (distance) C4'-P energy: -15.387 bonds (distance) P-C4' energy: -15.480 flat angles C4'-P-C4' energy: -17.976 flat angles P-C4'-P energy: -10.906 tors. eta vs tors. theta energy: -13.501 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: 4 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -213.945823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.945823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.945823 (E_RNA) where: Base-Base interactions energy: -143.236 where: short stacking energy: -72.964 Base-Backbone interact. energy: -0.043 local terms energy: -70.666835 where: bonds (distance) C4'-P energy: -11.693 bonds (distance) P-C4' energy: -16.121 flat angles C4'-P-C4' energy: -15.555 flat angles P-C4'-P energy: -8.327 tors. eta vs tors. theta energy: -18.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -199.847622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.847622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.847622 (E_RNA) where: Base-Base interactions energy: -132.555 where: short stacking energy: -53.222 Base-Backbone interact. energy: -0.098 local terms energy: -67.194328 where: bonds (distance) C4'-P energy: -15.214 bonds (distance) P-C4' energy: -9.633 flat angles C4'-P-C4' energy: -17.093 flat angles P-C4'-P energy: -15.164 tors. eta vs tors. theta energy: -10.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -201.687550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.687550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.687550 (E_RNA) where: Base-Base interactions energy: -128.260 where: short stacking energy: -59.804 Base-Backbone interact. energy: -2.149 local terms energy: -71.278829 where: bonds (distance) C4'-P energy: -16.777 bonds (distance) P-C4' energy: -15.022 flat angles C4'-P-C4' energy: -14.370 flat angles P-C4'-P energy: -15.247 tors. eta vs tors. theta energy: -9.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -289.398167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.398167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.398167 (E_RNA) where: Base-Base interactions energy: -208.704 where: short stacking energy: -94.489 Base-Backbone interact. energy: -0.330 local terms energy: -80.364020 where: bonds (distance) C4'-P energy: -12.418 bonds (distance) P-C4' energy: -17.724 flat angles C4'-P-C4' energy: -20.511 flat angles P-C4'-P energy: -7.966 tors. eta vs tors. theta energy: -21.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -281.514834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.514834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.514834 (E_RNA) where: Base-Base interactions energy: -193.372 where: short stacking energy: -82.646 Base-Backbone interact. energy: -1.258 local terms energy: -86.885066 where: bonds (distance) C4'-P energy: -16.364 bonds (distance) P-C4' energy: -20.451 flat angles C4'-P-C4' energy: -16.003 flat angles P-C4'-P energy: -11.801 tors. eta vs tors. theta energy: -22.266 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: 3, replica: 3 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -268.478878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.478878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.478878 (E_RNA) where: Base-Base interactions energy: -186.711 where: short stacking energy: -82.395 Base-Backbone interact. energy: -0.051 local terms energy: -81.716793 where: bonds (distance) C4'-P energy: -18.107 bonds (distance) P-C4' energy: -16.986 flat angles C4'-P-C4' energy: -17.050 flat angles P-C4'-P energy: -9.191 tors. eta vs tors. theta energy: -20.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -242.088106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.088106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.088106 (E_RNA) where: Base-Base interactions energy: -164.573 where: short stacking energy: -80.641 Base-Backbone interact. energy: -0.860 local terms energy: -76.654574 where: bonds (distance) C4'-P energy: -15.069 bonds (distance) P-C4' energy: -16.783 flat angles C4'-P-C4' energy: -16.548 flat angles P-C4'-P energy: -9.163 tors. eta vs tors. theta energy: -19.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -236.071114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.071114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.071114 (E_RNA) where: Base-Base interactions energy: -159.512 where: short stacking energy: -78.778 Base-Backbone interact. energy: -0.146 local terms energy: -76.413491 where: bonds (distance) C4'-P energy: -13.328 bonds (distance) P-C4' energy: -16.815 flat angles C4'-P-C4' energy: -19.042 flat angles P-C4'-P energy: -8.562 tors. eta vs tors. theta energy: -18.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -243.626417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.626417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.626417 (E_RNA) where: Base-Base interactions energy: -166.903 where: short stacking energy: -73.829 Base-Backbone interact. energy: -0.056 local terms energy: -76.667250 where: bonds (distance) C4'-P energy: -15.541 bonds (distance) P-C4' energy: -18.018 flat angles C4'-P-C4' energy: -16.853 flat angles P-C4'-P energy: -10.145 tors. eta vs tors. theta energy: -16.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -216.797991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.797991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.797991 (E_RNA) where: Base-Base interactions energy: -145.541 where: short stacking energy: -71.658 Base-Backbone interact. energy: -0.124 local terms energy: -71.133144 where: bonds (distance) C4'-P energy: -14.355 bonds (distance) P-C4' energy: -13.790 flat angles C4'-P-C4' energy: -17.302 flat angles P-C4'-P energy: -10.215 tors. eta vs tors. theta energy: -15.471 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: 4 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -219.996812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.996812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.996812 (E_RNA) where: Base-Base interactions energy: -157.832 where: short stacking energy: -76.242 Base-Backbone interact. energy: -0.002 local terms energy: -62.162966 where: bonds (distance) C4'-P energy: -8.389 bonds (distance) P-C4' energy: -13.353 flat angles C4'-P-C4' energy: -18.384 flat angles P-C4'-P energy: -3.846 tors. eta vs tors. theta energy: -18.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -211.820661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.820661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.820661 (E_RNA) where: Base-Base interactions energy: -135.764 where: short stacking energy: -62.080 Base-Backbone interact. energy: -0.896 local terms energy: -75.160403 where: bonds (distance) C4'-P energy: -15.436 bonds (distance) P-C4' energy: -18.058 flat angles C4'-P-C4' energy: -14.989 flat angles P-C4'-P energy: -12.247 tors. eta vs tors. theta energy: -14.431 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: 225 Temperature: 1.350000 Total energy: -188.784298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.784298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.784298 (E_RNA) where: Base-Base interactions energy: -130.691 where: short stacking energy: -61.029 Base-Backbone interact. energy: -0.347 local terms energy: -57.745559 where: bonds (distance) C4'-P energy: -11.519 bonds (distance) P-C4' energy: -16.209 flat angles C4'-P-C4' energy: -9.645 flat angles P-C4'-P energy: -7.046 tors. eta vs tors. theta energy: -13.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -288.184840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.184840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.184840 (E_RNA) where: Base-Base interactions energy: -205.013 where: short stacking energy: -94.610 Base-Backbone interact. energy: -0.885 local terms energy: -82.287129 where: bonds (distance) C4'-P energy: -11.768 bonds (distance) P-C4' energy: -17.255 flat angles C4'-P-C4' energy: -19.783 flat angles P-C4'-P energy: -12.457 tors. eta vs tors. theta energy: -21.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -285.046487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.046487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.046487 (E_RNA) where: Base-Base interactions energy: -204.737 where: short stacking energy: -91.258 Base-Backbone interact. energy: -1.352 local terms energy: -78.957164 where: bonds (distance) C4'-P energy: -15.520 bonds (distance) P-C4' energy: -17.316 flat angles C4'-P-C4' energy: -16.948 flat angles P-C4'-P energy: -9.676 tors. eta vs tors. theta energy: -19.497 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: 3 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -275.140747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.140747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.140747 (E_RNA) where: Base-Base interactions energy: -199.146 where: short stacking energy: -88.630 Base-Backbone interact. energy: -0.243 local terms energy: -75.752394 where: bonds (distance) C4'-P energy: -16.465 bonds (distance) P-C4' energy: -17.928 flat angles C4'-P-C4' energy: -16.158 flat angles P-C4'-P energy: -7.174 tors. eta vs tors. theta energy: -18.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -222.138445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.138445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.138445 (E_RNA) where: Base-Base interactions energy: -150.416 where: short stacking energy: -74.750 Base-Backbone interact. energy: -0.719 local terms energy: -71.003126 where: bonds (distance) C4'-P energy: -11.172 bonds (distance) P-C4' energy: -17.254 flat angles C4'-P-C4' energy: -15.184 flat angles P-C4'-P energy: -13.338 tors. eta vs tors. theta energy: -14.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -270.530257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.530257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.530257 (E_RNA) where: Base-Base interactions energy: -197.285 where: short stacking energy: -91.789 Base-Backbone interact. energy: -0.072 local terms energy: -73.173298 where: bonds (distance) C4'-P energy: -12.849 bonds (distance) P-C4' energy: -13.658 flat angles C4'-P-C4' energy: -18.582 flat angles P-C4'-P energy: -7.773 tors. eta vs tors. theta energy: -20.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -227.196584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.196584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.196584 (E_RNA) where: Base-Base interactions energy: -143.782 where: short stacking energy: -66.520 Base-Backbone interact. energy: -0.101 local terms energy: -83.313742 where: bonds (distance) C4'-P energy: -17.816 bonds (distance) P-C4' energy: -19.746 flat angles C4'-P-C4' energy: -17.546 flat angles P-C4'-P energy: -13.000 tors. eta vs tors. theta energy: -15.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -231.529193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.529193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.529193 (E_RNA) where: Base-Base interactions energy: -148.756 where: short stacking energy: -73.943 Base-Backbone interact. energy: -0.621 local terms energy: -82.152204 where: bonds (distance) C4'-P energy: -17.568 bonds (distance) P-C4' energy: -17.703 flat angles C4'-P-C4' energy: -20.511 flat angles P-C4'-P energy: -10.895 tors. eta vs tors. theta energy: -15.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -214.509314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.509314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.509314 (E_RNA) where: Base-Base interactions energy: -149.102 where: short stacking energy: -58.695 Base-Backbone interact. energy: -0.948 local terms energy: -64.459922 where: bonds (distance) C4'-P energy: -12.942 bonds (distance) P-C4' energy: -13.317 flat angles C4'-P-C4' energy: -14.471 flat angles P-C4'-P energy: -11.776 tors. eta vs tors. theta energy: -11.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -204.163738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.163738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.163738 (E_RNA) where: Base-Base interactions energy: -147.116 where: short stacking energy: -68.423 Base-Backbone interact. energy: -0.904 local terms energy: -56.144318 where: bonds (distance) C4'-P energy: -15.232 bonds (distance) P-C4' energy: -4.456 flat angles C4'-P-C4' energy: -15.239 flat angles P-C4'-P energy: -6.364 tors. eta vs tors. theta energy: -14.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -195.393589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.393589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.393589 (E_RNA) where: Base-Base interactions energy: -122.297 where: short stacking energy: -47.683 Base-Backbone interact. energy: -0.486 local terms energy: -72.609718 where: bonds (distance) C4'-P energy: -18.285 bonds (distance) P-C4' energy: -12.514 flat angles C4'-P-C4' energy: -19.843 flat angles P-C4'-P energy: -9.091 tors. eta vs tors. theta energy: -12.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -292.573946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.573946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.573946 (E_RNA) where: Base-Base interactions energy: -199.276 where: short stacking energy: -90.174 Base-Backbone interact. energy: -3.093 local terms energy: -90.204289 where: bonds (distance) C4'-P energy: -17.217 bonds (distance) P-C4' energy: -17.772 flat angles C4'-P-C4' energy: -18.023 flat angles P-C4'-P energy: -12.043 tors. eta vs tors. theta energy: -25.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -282.367816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.367816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.367816 (E_RNA) where: Base-Base interactions energy: -197.164 where: short stacking energy: -95.171 Base-Backbone interact. energy: -0.231 local terms energy: -84.972792 where: bonds (distance) C4'-P energy: -14.708 bonds (distance) P-C4' energy: -19.334 flat angles C4'-P-C4' energy: -17.030 flat angles P-C4'-P energy: -9.842 tors. eta vs tors. theta energy: -24.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -284.906718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.906718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.906718 (E_RNA) where: Base-Base interactions energy: -204.637 where: short stacking energy: -87.708 Base-Backbone interact. energy: -0.425 local terms energy: -79.844199 where: bonds (distance) C4'-P energy: -16.964 bonds (distance) P-C4' energy: -18.650 flat angles C4'-P-C4' energy: -17.584 flat angles P-C4'-P energy: -7.204 tors. eta vs tors. theta energy: -19.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -262.699068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.699068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.699068 (E_RNA) where: Base-Base interactions energy: -189.478 where: short stacking energy: -84.561 Base-Backbone interact. energy: 1.054 local terms energy: -74.274751 where: bonds (distance) C4'-P energy: -13.571 bonds (distance) P-C4' energy: -15.549 flat angles C4'-P-C4' energy: -16.547 flat angles P-C4'-P energy: -9.823 tors. eta vs tors. theta energy: -18.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -225.475022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.475022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.475022 (E_RNA) where: Base-Base interactions energy: -157.040 where: short stacking energy: -82.155 Base-Backbone interact. energy: -0.356 local terms energy: -68.078537 where: bonds (distance) C4'-P energy: -12.602 bonds (distance) P-C4' energy: -9.842 flat angles C4'-P-C4' energy: -15.825 flat angles P-C4'-P energy: -12.439 tors. eta vs tors. theta energy: -17.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -227.246639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.246639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.246639 (E_RNA) where: Base-Base interactions energy: -149.512 where: short stacking energy: -73.097 Base-Backbone interact. energy: -0.542 local terms energy: -77.192137 where: bonds (distance) C4'-P energy: -17.776 bonds (distance) P-C4' energy: -17.927 flat angles C4'-P-C4' energy: -14.055 flat angles P-C4'-P energy: -8.421 tors. eta vs tors. theta energy: -19.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -220.999853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.999853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.999853 (E_RNA) where: Base-Base interactions energy: -153.994 where: short stacking energy: -80.375 Base-Backbone interact. energy: -0.521 local terms energy: -66.484939 where: bonds (distance) C4'-P energy: -9.686 bonds (distance) P-C4' energy: -14.762 flat angles C4'-P-C4' energy: -18.402 flat angles P-C4'-P energy: -6.484 tors. eta vs tors. theta energy: -17.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -221.107325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.107325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.107325 (E_RNA) where: Base-Base interactions energy: -154.604 where: short stacking energy: -71.460 Base-Backbone interact. energy: 0.269 local terms energy: -66.772709 where: bonds (distance) C4'-P energy: -18.243 bonds (distance) P-C4' energy: -15.961 flat angles C4'-P-C4' energy: -14.395 flat angles P-C4'-P energy: -4.085 tors. eta vs tors. theta energy: -14.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -208.432291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.432291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.432291 (E_RNA) where: Base-Base interactions energy: -138.520 where: short stacking energy: -72.061 Base-Backbone interact. energy: -0.598 local terms energy: -69.314418 where: bonds (distance) C4'-P energy: -13.543 bonds (distance) P-C4' energy: -12.964 flat angles C4'-P-C4' energy: -17.634 flat angles P-C4'-P energy: -8.497 tors. eta vs tors. theta energy: -16.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -195.982283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.982283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.982283 (E_RNA) where: Base-Base interactions energy: -131.680 where: short stacking energy: -60.124 Base-Backbone interact. energy: -1.829 local terms energy: -62.472974 where: bonds (distance) C4'-P energy: -12.884 bonds (distance) P-C4' energy: -15.770 flat angles C4'-P-C4' energy: -14.653 flat angles P-C4'-P energy: -9.448 tors. eta vs tors. theta energy: -9.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -294.689906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.689906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.689906 (E_RNA) where: Base-Base interactions energy: -202.091 where: short stacking energy: -95.812 Base-Backbone interact. energy: -3.454 local terms energy: -89.145760 where: bonds (distance) C4'-P energy: -17.410 bonds (distance) P-C4' energy: -16.430 flat angles C4'-P-C4' energy: -19.808 flat angles P-C4'-P energy: -11.486 tors. eta vs tors. theta energy: -24.011 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: 228 Temperature: 0.950000 Total energy: -281.543503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.543503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.543503 (E_RNA) where: Base-Base interactions energy: -199.793 where: short stacking energy: -88.978 Base-Backbone interact. energy: -1.770 local terms energy: -79.980696 where: bonds (distance) C4'-P energy: -15.046 bonds (distance) P-C4' energy: -19.918 flat angles C4'-P-C4' energy: -16.871 flat angles P-C4'-P energy: -10.955 tors. eta vs tors. theta energy: -17.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -278.833685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.833685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.833685 (E_RNA) where: Base-Base interactions energy: -204.733 where: short stacking energy: -92.034 Base-Backbone interact. energy: -0.235 local terms energy: -73.866028 where: bonds (distance) C4'-P energy: -18.420 bonds (distance) P-C4' energy: -11.578 flat angles C4'-P-C4' energy: -17.234 flat angles P-C4'-P energy: -8.518 tors. eta vs tors. theta energy: -18.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -275.305720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.305720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.305720 (E_RNA) where: Base-Base interactions energy: -192.637 where: short stacking energy: -86.521 Base-Backbone interact. energy: -0.121 local terms energy: -82.548501 where: bonds (distance) C4'-P energy: -13.092 bonds (distance) P-C4' energy: -19.632 flat angles C4'-P-C4' energy: -18.019 flat angles P-C4'-P energy: -13.032 tors. eta vs tors. theta energy: -18.773 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: 2 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -229.465212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.465212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.465212 (E_RNA) where: Base-Base interactions energy: -155.176 where: short stacking energy: -73.772 Base-Backbone interact. energy: -0.018 local terms energy: -74.271407 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -16.752 flat angles C4'-P-C4' energy: -19.360 flat angles P-C4'-P energy: -12.779 tors. eta vs tors. theta energy: -18.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -217.021004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.021004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.021004 (E_RNA) where: Base-Base interactions energy: -149.751 where: short stacking energy: -70.396 Base-Backbone interact. energy: -0.167 local terms energy: -67.102722 where: bonds (distance) C4'-P energy: -14.323 bonds (distance) P-C4' energy: -17.930 flat angles C4'-P-C4' energy: -13.942 flat angles P-C4'-P energy: -7.203 tors. eta vs tors. theta energy: -13.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -228.250940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.250940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.250940 (E_RNA) where: Base-Base interactions energy: -151.946 where: short stacking energy: -70.642 Base-Backbone interact. energy: -0.107 local terms energy: -76.197613 where: bonds (distance) C4'-P energy: -18.150 bonds (distance) P-C4' energy: -18.998 flat angles C4'-P-C4' energy: -15.612 flat angles P-C4'-P energy: -7.912 tors. eta vs tors. theta energy: -15.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -218.494012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.494012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.494012 (E_RNA) where: Base-Base interactions energy: -148.267 where: short stacking energy: -62.907 Base-Backbone interact. energy: -0.067 local terms energy: -70.160309 where: bonds (distance) C4'-P energy: -16.040 bonds (distance) P-C4' energy: -15.603 flat angles C4'-P-C4' energy: -15.780 flat angles P-C4'-P energy: -9.493 tors. eta vs tors. theta energy: -13.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -196.294284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.294284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.294284 (E_RNA) where: Base-Base interactions energy: -129.117 where: short stacking energy: -50.709 Base-Backbone interact. energy: -0.125 local terms energy: -67.052208 where: bonds (distance) C4'-P energy: -18.695 bonds (distance) P-C4' energy: -16.972 flat angles C4'-P-C4' energy: -17.798 flat angles P-C4'-P energy: -1.610 tors. eta vs tors. theta energy: -11.977 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: 10 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -204.843788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.843788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.843788 (E_RNA) where: Base-Base interactions energy: -134.505 where: short stacking energy: -56.603 Base-Backbone interact. energy: -0.085 local terms energy: -70.254131 where: bonds (distance) C4'-P energy: -13.844 bonds (distance) P-C4' energy: -12.096 flat angles C4'-P-C4' energy: -17.885 flat angles P-C4'-P energy: -10.535 tors. eta vs tors. theta energy: -15.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -289.779597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.779597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.779597 (E_RNA) where: Base-Base interactions energy: -207.367 where: short stacking energy: -89.287 Base-Backbone interact. energy: -0.396 local terms energy: -82.016627 where: bonds (distance) C4'-P energy: -12.912 bonds (distance) P-C4' energy: -18.326 flat angles C4'-P-C4' energy: -18.499 flat angles P-C4'-P energy: -12.907 tors. eta vs tors. theta energy: -19.373 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: 6 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -289.604296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.604296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.604296 (E_RNA) where: Base-Base interactions energy: -202.957 where: short stacking energy: -85.353 Base-Backbone interact. energy: -0.603 local terms energy: -86.043655 where: bonds (distance) C4'-P energy: -19.530 bonds (distance) P-C4' energy: -17.519 flat angles C4'-P-C4' energy: -17.879 flat angles P-C4'-P energy: -7.799 tors. eta vs tors. theta energy: -23.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -274.849459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.849459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.849459 (E_RNA) where: Base-Base interactions energy: -193.361 where: short stacking energy: -84.970 Base-Backbone interact. energy: -0.443 local terms energy: -81.045049 where: bonds (distance) C4'-P energy: -16.747 bonds (distance) P-C4' energy: -18.240 flat angles C4'-P-C4' energy: -14.772 flat angles P-C4'-P energy: -9.887 tors. eta vs tors. theta energy: -21.399 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: 4, replica: 2 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -242.075765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.075765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.075765 (E_RNA) where: Base-Base interactions energy: -160.001 where: short stacking energy: -84.853 Base-Backbone interact. energy: -0.047 local terms energy: -82.027589 where: bonds (distance) C4'-P energy: -14.831 bonds (distance) P-C4' energy: -14.004 flat angles C4'-P-C4' energy: -18.570 flat angles P-C4'-P energy: -11.975 tors. eta vs tors. theta energy: -22.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -274.923348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.923348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.923348 (E_RNA) where: Base-Base interactions energy: -190.955 where: short stacking energy: -80.186 Base-Backbone interact. energy: -1.148 local terms energy: -82.820315 where: bonds (distance) C4'-P energy: -18.259 bonds (distance) P-C4' energy: -16.633 flat angles C4'-P-C4' energy: -18.799 flat angles P-C4'-P energy: -8.594 tors. eta vs tors. theta energy: -20.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -221.979287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.979287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.979287 (E_RNA) where: Base-Base interactions energy: -152.716 where: short stacking energy: -77.815 Base-Backbone interact. energy: -0.052 local terms energy: -69.211331 where: bonds (distance) C4'-P energy: -16.030 bonds (distance) P-C4' energy: -15.768 flat angles C4'-P-C4' energy: -16.928 flat angles P-C4'-P energy: -3.201 tors. eta vs tors. theta energy: -17.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -223.664689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.664689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.664689 (E_RNA) where: Base-Base interactions energy: -157.293 where: short stacking energy: -68.436 Base-Backbone interact. energy: 0.498 local terms energy: -66.869993 where: bonds (distance) C4'-P energy: -12.655 bonds (distance) P-C4' energy: -14.476 flat angles C4'-P-C4' energy: -13.360 flat angles P-C4'-P energy: -6.000 tors. eta vs tors. theta energy: -20.379 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: 229 Temperature: 1.250000 Total energy: -206.068395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.068395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.068395 (E_RNA) where: Base-Base interactions energy: -131.782 where: short stacking energy: -65.473 Base-Backbone interact. energy: -0.122 local terms energy: -74.164823 where: bonds (distance) C4'-P energy: -15.317 bonds (distance) P-C4' energy: -16.565 flat angles C4'-P-C4' energy: -19.830 flat angles P-C4'-P energy: -7.871 tors. eta vs tors. theta energy: -14.581 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: 9 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -215.780475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.780475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.780475 (E_RNA) where: Base-Base interactions energy: -149.011 where: short stacking energy: -69.692 Base-Backbone interact. energy: -0.780 local terms energy: -65.988736 where: bonds (distance) C4'-P energy: -15.696 bonds (distance) P-C4' energy: -9.070 flat angles C4'-P-C4' energy: -16.386 flat angles P-C4'-P energy: -7.339 tors. eta vs tors. theta energy: -17.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -213.059045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.059045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.059045 (E_RNA) where: Base-Base interactions energy: -142.316 where: short stacking energy: -77.976 Base-Backbone interact. energy: -0.030 local terms energy: -70.712997 where: bonds (distance) C4'-P energy: -10.275 bonds (distance) P-C4' energy: -14.819 flat angles C4'-P-C4' energy: -14.481 flat angles P-C4'-P energy: -10.381 tors. eta vs tors. theta energy: -20.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -285.123184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.123184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.123184 (E_RNA) where: Base-Base interactions energy: -201.615 where: short stacking energy: -92.073 Base-Backbone interact. energy: 1.013 local terms energy: -84.520747 where: bonds (distance) C4'-P energy: -12.864 bonds (distance) P-C4' energy: -17.899 flat angles C4'-P-C4' energy: -17.962 flat angles P-C4'-P energy: -12.594 tors. eta vs tors. theta energy: -23.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -285.665590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.665590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.665590 (E_RNA) where: Base-Base interactions energy: -205.713 where: short stacking energy: -93.018 Base-Backbone interact. energy: -0.763 local terms energy: -79.189319 where: bonds (distance) C4'-P energy: -14.016 bonds (distance) P-C4' energy: -16.840 flat angles C4'-P-C4' energy: -16.350 flat angles P-C4'-P energy: -11.582 tors. eta vs tors. theta energy: -20.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -295.516335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.516335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.516335 (E_RNA) where: Base-Base interactions energy: -203.075 where: short stacking energy: -91.803 Base-Backbone interact. energy: -1.468 local terms energy: -90.972841 where: bonds (distance) C4'-P energy: -18.687 bonds (distance) P-C4' energy: -18.555 flat angles C4'-P-C4' energy: -20.148 flat angles P-C4'-P energy: -11.615 tors. eta vs tors. theta energy: -21.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -240.994209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.994209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.994209 (E_RNA) where: Base-Base interactions energy: -155.034 where: short stacking energy: -75.015 Base-Backbone interact. energy: -1.334 local terms energy: -84.625484 where: bonds (distance) C4'-P energy: -16.984 bonds (distance) P-C4' energy: -18.420 flat angles C4'-P-C4' energy: -17.325 flat angles P-C4'-P energy: -12.883 tors. eta vs tors. theta energy: -19.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -237.604006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.604006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.604006 (E_RNA) where: Base-Base interactions energy: -156.906 where: short stacking energy: -75.669 Base-Backbone interact. energy: -0.781 local terms energy: -79.917008 where: bonds (distance) C4'-P energy: -18.979 bonds (distance) P-C4' energy: -14.179 flat angles C4'-P-C4' energy: -18.678 flat angles P-C4'-P energy: -10.214 tors. eta vs tors. theta energy: -17.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -248.758794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.758794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.758794 (E_RNA) where: Base-Base interactions energy: -174.622 where: short stacking energy: -74.089 Base-Backbone interact. energy: -2.294 local terms energy: -71.843528 where: bonds (distance) C4'-P energy: -14.078 bonds (distance) P-C4' energy: -14.610 flat angles C4'-P-C4' energy: -16.332 flat angles P-C4'-P energy: -10.911 tors. eta vs tors. theta energy: -15.912 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: 230 Temperature: 1.200000 Total energy: -224.125938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.125938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.125938 (E_RNA) where: Base-Base interactions energy: -149.729 where: short stacking energy: -68.666 Base-Backbone interact. energy: 2.652 local terms energy: -77.048870 where: bonds (distance) C4'-P energy: -11.370 bonds (distance) P-C4' energy: -20.205 flat angles C4'-P-C4' energy: -12.293 flat angles P-C4'-P energy: -10.304 tors. eta vs tors. theta energy: -22.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -223.770129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.770129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.770129 (E_RNA) where: Base-Base interactions energy: -153.571 where: short stacking energy: -70.488 Base-Backbone interact. energy: -0.028 local terms energy: -70.171034 where: bonds (distance) C4'-P energy: -14.579 bonds (distance) P-C4' energy: -11.920 flat angles C4'-P-C4' energy: -14.765 flat angles P-C4'-P energy: -7.803 tors. eta vs tors. theta energy: -21.103 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: 10 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -201.912106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.912106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.912106 (E_RNA) where: Base-Base interactions energy: -134.486 where: short stacking energy: -58.182 Base-Backbone interact. energy: -0.483 local terms energy: -66.943218 where: bonds (distance) C4'-P energy: -16.016 bonds (distance) P-C4' energy: -16.445 flat angles C4'-P-C4' energy: -11.141 flat angles P-C4'-P energy: -8.990 tors. eta vs tors. theta energy: -14.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -195.184253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.184253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.184253 (E_RNA) where: Base-Base interactions energy: -119.852 where: short stacking energy: -64.898 Base-Backbone interact. energy: -0.499 local terms energy: -74.833506 where: bonds (distance) C4'-P energy: -14.707 bonds (distance) P-C4' energy: -18.890 flat angles C4'-P-C4' energy: -13.198 flat angles P-C4'-P energy: -12.541 tors. eta vs tors. theta energy: -15.497 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: 6 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -287.145835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.145835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.145835 (E_RNA) where: Base-Base interactions energy: -205.915 where: short stacking energy: -92.136 Base-Backbone interact. energy: -0.196 local terms energy: -81.035417 where: bonds (distance) C4'-P energy: -14.812 bonds (distance) P-C4' energy: -17.045 flat angles C4'-P-C4' energy: -17.729 flat angles P-C4'-P energy: -10.846 tors. eta vs tors. theta energy: -20.603 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: 3 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -285.701986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.701986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.701986 (E_RNA) where: Base-Base interactions energy: -202.378 where: short stacking energy: -91.251 Base-Backbone interact. energy: 0.322 local terms energy: -83.646276 where: bonds (distance) C4'-P energy: -18.189 bonds (distance) P-C4' energy: -17.946 flat angles C4'-P-C4' energy: -14.320 flat angles P-C4'-P energy: -11.680 tors. eta vs tors. theta energy: -21.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -278.122155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.122155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.122155 (E_RNA) where: Base-Base interactions energy: -198.058 where: short stacking energy: -83.467 Base-Backbone interact. energy: -0.310 local terms energy: -79.754259 where: bonds (distance) C4'-P energy: -15.365 bonds (distance) P-C4' energy: -19.449 flat angles C4'-P-C4' energy: -17.347 flat angles P-C4'-P energy: -9.212 tors. eta vs tors. theta energy: -18.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -235.637050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.637050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.637050 (E_RNA) where: Base-Base interactions energy: -158.850 where: short stacking energy: -81.052 Base-Backbone interact. energy: -0.005 local terms energy: -76.782641 where: bonds (distance) C4'-P energy: -16.798 bonds (distance) P-C4' energy: -12.860 flat angles C4'-P-C4' energy: -13.978 flat angles P-C4'-P energy: -13.062 tors. eta vs tors. theta energy: -20.084 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: 5, replica: 2 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -230.034685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.034685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.034685 (E_RNA) where: Base-Base interactions energy: -156.806 where: short stacking energy: -72.995 Base-Backbone interact. energy: -0.240 local terms energy: -72.989141 where: bonds (distance) C4'-P energy: -15.113 bonds (distance) P-C4' energy: -18.024 flat angles C4'-P-C4' energy: -17.831 flat angles P-C4'-P energy: -5.414 tors. eta vs tors. theta energy: -16.607 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: 7 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -251.452662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.452662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.452662 (E_RNA) where: Base-Base interactions energy: -182.880 where: short stacking energy: -73.693 Base-Backbone interact. energy: -1.188 local terms energy: -67.384988 where: bonds (distance) C4'-P energy: -14.417 bonds (distance) P-C4' energy: -14.484 flat angles C4'-P-C4' energy: -13.400 flat angles P-C4'-P energy: -7.390 tors. eta vs tors. theta energy: -17.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -213.208504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.208504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.208504 (E_RNA) where: Base-Base interactions energy: -136.331 where: short stacking energy: -58.858 Base-Backbone interact. energy: -0.573 local terms energy: -76.304450 where: bonds (distance) C4'-P energy: -18.715 bonds (distance) P-C4' energy: -17.725 flat angles C4'-P-C4' energy: -13.749 flat angles P-C4'-P energy: -10.552 tors. eta vs tors. theta energy: -15.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -214.452677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.452677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.452677 (E_RNA) where: Base-Base interactions energy: -142.239 where: short stacking energy: -68.241 Base-Backbone interact. energy: -0.636 local terms energy: -71.577611 where: bonds (distance) C4'-P energy: -15.367 bonds (distance) P-C4' energy: -13.427 flat angles C4'-P-C4' energy: -14.239 flat angles P-C4'-P energy: -13.361 tors. eta vs tors. theta energy: -15.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -203.105308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.105308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.105308 (E_RNA) where: Base-Base interactions energy: -132.694 where: short stacking energy: -63.033 Base-Backbone interact. energy: -0.211 local terms energy: -70.199878 where: bonds (distance) C4'-P energy: -9.851 bonds (distance) P-C4' energy: -18.852 flat angles C4'-P-C4' energy: -17.926 flat angles P-C4'-P energy: -9.094 tors. eta vs tors. theta energy: -14.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -200.275599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.275599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.275599 (E_RNA) where: Base-Base interactions energy: -135.233 where: short stacking energy: -61.554 Base-Backbone interact. energy: 1.207 local terms energy: -66.249069 where: bonds (distance) C4'-P energy: -13.375 bonds (distance) P-C4' energy: -15.043 flat angles C4'-P-C4' energy: -16.127 flat angles P-C4'-P energy: -7.398 tors. eta vs tors. theta energy: -14.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -292.984558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.984558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.984558 (E_RNA) where: Base-Base interactions energy: -209.492 where: short stacking energy: -93.011 Base-Backbone interact. energy: -1.912 local terms energy: -81.580904 where: bonds (distance) C4'-P energy: -15.506 bonds (distance) P-C4' energy: -16.063 flat angles C4'-P-C4' energy: -17.420 flat angles P-C4'-P energy: -10.158 tors. eta vs tors. theta energy: -22.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -291.118847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.118847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.118847 (E_RNA) where: Base-Base interactions energy: -204.824 where: short stacking energy: -90.406 Base-Backbone interact. energy: -0.659 local terms energy: -85.635502 where: bonds (distance) C4'-P energy: -18.561 bonds (distance) P-C4' energy: -18.644 flat angles C4'-P-C4' energy: -15.948 flat angles P-C4'-P energy: -9.618 tors. eta vs tors. theta energy: -22.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -278.158687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.158687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.158687 (E_RNA) where: Base-Base interactions energy: -202.000 where: short stacking energy: -92.129 Base-Backbone interact. energy: -0.228 local terms energy: -75.930765 where: bonds (distance) C4'-P energy: -15.143 bonds (distance) P-C4' energy: -13.621 flat angles C4'-P-C4' energy: -17.105 flat angles P-C4'-P energy: -8.443 tors. eta vs tors. theta energy: -21.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -237.106931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.106931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.106931 (E_RNA) where: Base-Base interactions energy: -157.888 where: short stacking energy: -83.472 Base-Backbone interact. energy: -0.030 local terms energy: -79.188576 where: bonds (distance) C4'-P energy: -14.858 bonds (distance) P-C4' energy: -12.841 flat angles C4'-P-C4' energy: -20.776 flat angles P-C4'-P energy: -14.161 tors. eta vs tors. theta energy: -16.554 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: 7 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -266.250362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.250362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.250362 (E_RNA) where: Base-Base interactions energy: -189.347 where: short stacking energy: -84.270 Base-Backbone interact. energy: -1.281 local terms energy: -75.622175 where: bonds (distance) C4'-P energy: -15.615 bonds (distance) P-C4' energy: -17.708 flat angles C4'-P-C4' energy: -16.404 flat angles P-C4'-P energy: -6.502 tors. eta vs tors. theta energy: -19.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -221.971742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.971742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.971742 (E_RNA) where: Base-Base interactions energy: -149.883 where: short stacking energy: -71.486 Base-Backbone interact. energy: -0.540 local terms energy: -71.548282 where: bonds (distance) C4'-P energy: -13.599 bonds (distance) P-C4' energy: -14.671 flat angles C4'-P-C4' energy: -16.785 flat angles P-C4'-P energy: -12.169 tors. eta vs tors. theta energy: -14.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -213.945686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.945686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.945686 (E_RNA) where: Base-Base interactions energy: -137.606 where: short stacking energy: -60.486 Base-Backbone interact. energy: -0.035 local terms energy: -76.304864 where: bonds (distance) C4'-P energy: -16.081 bonds (distance) P-C4' energy: -17.368 flat angles C4'-P-C4' energy: -16.666 flat angles P-C4'-P energy: -11.267 tors. eta vs tors. theta energy: -14.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -210.247663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.247663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.247663 (E_RNA) where: Base-Base interactions energy: -137.810 where: short stacking energy: -68.059 Base-Backbone interact. energy: -0.114 local terms energy: -72.323956 where: bonds (distance) C4'-P energy: -13.983 bonds (distance) P-C4' energy: -19.123 flat angles C4'-P-C4' energy: -13.518 flat angles P-C4'-P energy: -9.900 tors. eta vs tors. theta energy: -15.800 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: 232 Temperature: 1.300000 Total energy: -211.273511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.273511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.273511 (E_RNA) where: Base-Base interactions energy: -140.084 where: short stacking energy: -65.018 Base-Backbone interact. energy: -0.795 local terms energy: -70.394064 where: bonds (distance) C4'-P energy: -15.267 bonds (distance) P-C4' energy: -17.600 flat angles C4'-P-C4' energy: -15.021 flat angles P-C4'-P energy: -8.761 tors. eta vs tors. theta energy: -13.745 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: 10, replica: 4 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -201.479042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.479042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.479042 (E_RNA) where: Base-Base interactions energy: -134.530 where: short stacking energy: -57.375 Base-Backbone interact. energy: -0.077 local terms energy: -66.872257 where: bonds (distance) C4'-P energy: -16.050 bonds (distance) P-C4' energy: -15.405 flat angles C4'-P-C4' energy: -15.910 flat angles P-C4'-P energy: -5.827 tors. eta vs tors. theta energy: -13.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -295.519331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.519331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.519331 (E_RNA) where: Base-Base interactions energy: -212.047 where: short stacking energy: -92.873 Base-Backbone interact. energy: -2.983 local terms energy: -80.489002 where: bonds (distance) C4'-P energy: -15.495 bonds (distance) P-C4' energy: -13.005 flat angles C4'-P-C4' energy: -18.583 flat angles P-C4'-P energy: -9.175 tors. eta vs tors. theta energy: -24.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -280.541902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.541902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.541902 (E_RNA) where: Base-Base interactions energy: -199.437 where: short stacking energy: -84.249 Base-Backbone interact. energy: -1.404 local terms energy: -79.701180 where: bonds (distance) C4'-P energy: -16.802 bonds (distance) P-C4' energy: -19.454 flat angles C4'-P-C4' energy: -17.864 flat angles P-C4'-P energy: -6.968 tors. eta vs tors. theta energy: -18.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -269.385114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.385114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.385114 (E_RNA) where: Base-Base interactions energy: -186.491 where: short stacking energy: -81.786 Base-Backbone interact. energy: -0.803 local terms energy: -82.090328 where: bonds (distance) C4'-P energy: -14.220 bonds (distance) P-C4' energy: -18.297 flat angles C4'-P-C4' energy: -16.532 flat angles P-C4'-P energy: -13.874 tors. eta vs tors. theta energy: -19.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -261.109919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.109919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.109919 (E_RNA) where: Base-Base interactions energy: -176.517 where: short stacking energy: -75.628 Base-Backbone interact. energy: 0.020 local terms energy: -84.612677 where: bonds (distance) C4'-P energy: -17.486 bonds (distance) P-C4' energy: -19.903 flat angles C4'-P-C4' energy: -16.325 flat angles P-C4'-P energy: -13.389 tors. eta vs tors. theta energy: -17.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -234.160757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.160757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.160757 (E_RNA) where: Base-Base interactions energy: -156.070 where: short stacking energy: -71.079 Base-Backbone interact. energy: -0.433 local terms energy: -77.657055 where: bonds (distance) C4'-P energy: -14.884 bonds (distance) P-C4' energy: -12.405 flat angles C4'-P-C4' energy: -18.517 flat angles P-C4'-P energy: -11.561 tors. eta vs tors. theta energy: -20.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -242.169517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.169517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.169517 (E_RNA) where: Base-Base interactions energy: -165.884 where: short stacking energy: -82.107 Base-Backbone interact. energy: -0.579 local terms energy: -75.706242 where: bonds (distance) C4'-P energy: -12.806 bonds (distance) P-C4' energy: -12.440 flat angles C4'-P-C4' energy: -19.251 flat angles P-C4'-P energy: -11.098 tors. eta vs tors. theta energy: -20.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -224.224876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.224876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.224876 (E_RNA) where: Base-Base interactions energy: -141.256 where: short stacking energy: -68.501 Base-Backbone interact. energy: -0.732 local terms energy: -82.236754 where: bonds (distance) C4'-P energy: -18.835 bonds (distance) P-C4' energy: -20.466 flat angles C4'-P-C4' energy: -13.519 flat angles P-C4'-P energy: -11.497 tors. eta vs tors. theta energy: -17.919 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: 9 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -227.830803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.830803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.830803 (E_RNA) where: Base-Base interactions energy: -152.686 where: short stacking energy: -72.448 Base-Backbone interact. energy: 0.170 local terms energy: -75.314609 where: bonds (distance) C4'-P energy: -13.786 bonds (distance) P-C4' energy: -17.371 flat angles C4'-P-C4' energy: -16.453 flat angles P-C4'-P energy: -9.804 tors. eta vs tors. theta energy: -17.901 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: 5 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -205.317091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.317091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.317091 (E_RNA) where: Base-Base interactions energy: -141.509 where: short stacking energy: -65.206 Base-Backbone interact. energy: -0.302 local terms energy: -63.506750 where: bonds (distance) C4'-P energy: -10.798 bonds (distance) P-C4' energy: -14.027 flat angles C4'-P-C4' energy: -13.744 flat angles P-C4'-P energy: -5.543 tors. eta vs tors. theta energy: -19.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -178.658621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.658621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.658621 (E_RNA) where: Base-Base interactions energy: -129.751 where: short stacking energy: -53.195 Base-Backbone interact. energy: 0.132 local terms energy: -49.038822 where: bonds (distance) C4'-P energy: -17.208 bonds (distance) P-C4' energy: -9.945 flat angles C4'-P-C4' energy: -5.524 flat angles P-C4'-P energy: -6.623 tors. eta vs tors. theta energy: -9.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -295.969930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.969930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.969930 (E_RNA) where: Base-Base interactions energy: -205.962 where: short stacking energy: -96.459 Base-Backbone interact. energy: -2.446 local terms energy: -87.561674 where: bonds (distance) C4'-P energy: -14.977 bonds (distance) P-C4' energy: -19.109 flat angles C4'-P-C4' energy: -18.583 flat angles P-C4'-P energy: -12.243 tors. eta vs tors. theta energy: -22.650 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: 234 Temperature: 0.950000 Total energy: -284.331734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.331734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.331734 (E_RNA) where: Base-Base interactions energy: -198.287 where: short stacking energy: -87.205 Base-Backbone interact. energy: 0.768 local terms energy: -86.813012 where: bonds (distance) C4'-P energy: -20.135 bonds (distance) P-C4' energy: -17.343 flat angles C4'-P-C4' energy: -19.174 flat angles P-C4'-P energy: -12.130 tors. eta vs tors. theta energy: -18.031 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: 7 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -274.775563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.775563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.775563 (E_RNA) where: Base-Base interactions energy: -196.195 where: short stacking energy: -85.136 Base-Backbone interact. energy: -1.078 local terms energy: -77.502626 where: bonds (distance) C4'-P energy: -15.647 bonds (distance) P-C4' energy: -15.223 flat angles C4'-P-C4' energy: -15.983 flat angles P-C4'-P energy: -10.977 tors. eta vs tors. theta energy: -19.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -270.282999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.282999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.282999 (E_RNA) where: Base-Base interactions energy: -192.004 where: short stacking energy: -82.317 Base-Backbone interact. energy: -1.191 local terms energy: -77.088098 where: bonds (distance) C4'-P energy: -15.029 bonds (distance) P-C4' energy: -16.820 flat angles C4'-P-C4' energy: -13.162 flat angles P-C4'-P energy: -10.011 tors. eta vs tors. theta energy: -22.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -242.681373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.681373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.681373 (E_RNA) where: Base-Base interactions energy: -165.515 where: short stacking energy: -89.105 Base-Backbone interact. energy: -0.005 local terms energy: -77.161379 where: bonds (distance) C4'-P energy: -8.563 bonds (distance) P-C4' energy: -17.073 flat angles C4'-P-C4' energy: -18.913 flat angles P-C4'-P energy: -10.633 tors. eta vs tors. theta energy: -21.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -218.348164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.348164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.348164 (E_RNA) where: Base-Base interactions energy: -136.528 where: short stacking energy: -63.632 Base-Backbone interact. energy: -0.204 local terms energy: -81.616429 where: bonds (distance) C4'-P energy: -17.357 bonds (distance) P-C4' energy: -15.249 flat angles C4'-P-C4' energy: -19.201 flat angles P-C4'-P energy: -15.317 tors. eta vs tors. theta energy: -14.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -213.644200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.644200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.644200 (E_RNA) where: Base-Base interactions energy: -136.752 where: short stacking energy: -66.841 Base-Backbone interact. energy: -0.094 local terms energy: -76.798380 where: bonds (distance) C4'-P energy: -13.974 bonds (distance) P-C4' energy: -18.054 flat angles C4'-P-C4' energy: -17.016 flat angles P-C4'-P energy: -14.398 tors. eta vs tors. theta energy: -13.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -218.314866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.314866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.314866 (E_RNA) where: Base-Base interactions energy: -157.199 where: short stacking energy: -77.727 Base-Backbone interact. energy: -0.043 local terms energy: -61.073070 where: bonds (distance) C4'-P energy: -8.415 bonds (distance) P-C4' energy: -14.439 flat angles C4'-P-C4' energy: -15.457 flat angles P-C4'-P energy: -7.210 tors. eta vs tors. theta energy: -15.552 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: 9, replica: 5 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -209.713995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.713995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.713995 (E_RNA) where: Base-Base interactions energy: -139.335 where: short stacking energy: -74.091 Base-Backbone interact. energy: -0.897 local terms energy: -69.482554 where: bonds (distance) C4'-P energy: -18.128 bonds (distance) P-C4' energy: -7.419 flat angles C4'-P-C4' energy: -16.817 flat angles P-C4'-P energy: -11.075 tors. eta vs tors. theta energy: -16.043 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: 10, replica: 4 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -186.350144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.350144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.350144 (E_RNA) where: Base-Base interactions energy: -124.722 where: short stacking energy: -51.088 Base-Backbone interact. energy: -0.022 local terms energy: -61.606867 where: bonds (distance) C4'-P energy: -13.068 bonds (distance) P-C4' energy: -14.622 flat angles C4'-P-C4' energy: -15.133 flat angles P-C4'-P energy: -9.712 tors. eta vs tors. theta energy: -9.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -295.749817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.749817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.749817 (E_RNA) where: Base-Base interactions energy: -215.007 where: short stacking energy: -95.101 Base-Backbone interact. energy: -0.320 local terms energy: -80.422774 where: bonds (distance) C4'-P energy: -16.364 bonds (distance) P-C4' energy: -17.687 flat angles C4'-P-C4' energy: -15.657 flat angles P-C4'-P energy: -7.464 tors. eta vs tors. theta energy: -23.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -273.056994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.056994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.056994 (E_RNA) where: Base-Base interactions energy: -194.255 where: short stacking energy: -87.820 Base-Backbone interact. energy: -0.090 local terms energy: -78.711324 where: bonds (distance) C4'-P energy: -15.615 bonds (distance) P-C4' energy: -16.574 flat angles C4'-P-C4' energy: -15.017 flat angles P-C4'-P energy: -12.478 tors. eta vs tors. theta energy: -19.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -278.770324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.770324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.770324 (E_RNA) where: Base-Base interactions energy: -199.285 where: short stacking energy: -85.219 Base-Backbone interact. energy: -1.195 local terms energy: -78.290897 where: bonds (distance) C4'-P energy: -15.855 bonds (distance) P-C4' energy: -16.216 flat angles C4'-P-C4' energy: -17.336 flat angles P-C4'-P energy: -8.091 tors. eta vs tors. theta energy: -20.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -243.551280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.551280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.551280 (E_RNA) where: Base-Base interactions energy: -166.422 where: short stacking energy: -87.538 Base-Backbone interact. energy: -0.107 local terms energy: -77.022090 where: bonds (distance) C4'-P energy: -10.790 bonds (distance) P-C4' energy: -16.203 flat angles C4'-P-C4' energy: -18.107 flat angles P-C4'-P energy: -12.867 tors. eta vs tors. theta energy: -19.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -276.678723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.678723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.678723 (E_RNA) where: Base-Base interactions energy: -198.874 where: short stacking energy: -85.503 Base-Backbone interact. energy: 0.671 local terms energy: -78.475976 where: bonds (distance) C4'-P energy: -9.822 bonds (distance) P-C4' energy: -16.545 flat angles C4'-P-C4' energy: -20.696 flat angles P-C4'-P energy: -11.637 tors. eta vs tors. theta energy: -19.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -228.023186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.023186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.023186 (E_RNA) where: Base-Base interactions energy: -156.703 where: short stacking energy: -67.107 Base-Backbone interact. energy: -0.124 local terms energy: -71.196688 where: bonds (distance) C4'-P energy: -15.711 bonds (distance) P-C4' energy: -15.910 flat angles C4'-P-C4' energy: -15.617 flat angles P-C4'-P energy: -12.435 tors. eta vs tors. theta energy: -11.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -238.278639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.278639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.278639 (E_RNA) where: Base-Base interactions energy: -162.979 where: short stacking energy: -83.414 Base-Backbone interact. energy: -0.003 local terms energy: -75.297519 where: bonds (distance) C4'-P energy: -14.920 bonds (distance) P-C4' energy: -13.562 flat angles C4'-P-C4' energy: -13.118 flat angles P-C4'-P energy: -11.995 tors. eta vs tors. theta energy: -21.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -217.588619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.588619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.588619 (E_RNA) where: Base-Base interactions energy: -147.192 where: short stacking energy: -61.780 Base-Backbone interact. energy: -0.067 local terms energy: -70.330171 where: bonds (distance) C4'-P energy: -16.024 bonds (distance) P-C4' energy: -17.079 flat angles C4'-P-C4' energy: -18.222 flat angles P-C4'-P energy: -6.523 tors. eta vs tors. theta energy: -12.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -207.234981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.234981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.234981 (E_RNA) where: Base-Base interactions energy: -133.876 where: short stacking energy: -61.840 Base-Backbone interact. energy: -0.023 local terms energy: -73.335188 where: bonds (distance) C4'-P energy: -17.087 bonds (distance) P-C4' energy: -18.322 flat angles C4'-P-C4' energy: -13.415 flat angles P-C4'-P energy: -12.741 tors. eta vs tors. theta energy: -11.769 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: 4 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -162.251415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.251415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.251415 (E_RNA) where: Base-Base interactions energy: -100.064 where: short stacking energy: -46.953 Base-Backbone interact. energy: -0.154 local terms energy: -62.032962 where: bonds (distance) C4'-P energy: -18.657 bonds (distance) P-C4' energy: -19.852 flat angles C4'-P-C4' energy: -12.186 flat angles P-C4'-P energy: -7.719 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: 3 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -287.286773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.286773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.286773 (E_RNA) where: Base-Base interactions energy: -210.420 where: short stacking energy: -90.276 Base-Backbone interact. energy: -1.486 local terms energy: -75.380276 where: bonds (distance) C4'-P energy: -16.140 bonds (distance) P-C4' energy: -15.784 flat angles C4'-P-C4' energy: -15.930 flat angles P-C4'-P energy: -9.087 tors. eta vs tors. theta energy: -18.439 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: 6 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -268.224201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.224201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.224201 (E_RNA) where: Base-Base interactions energy: -183.318 where: short stacking energy: -81.675 Base-Backbone interact. energy: -1.843 local terms energy: -83.063435 where: bonds (distance) C4'-P energy: -15.498 bonds (distance) P-C4' energy: -13.517 flat angles C4'-P-C4' energy: -20.446 flat angles P-C4'-P energy: -11.822 tors. eta vs tors. theta energy: -21.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -281.406527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.406527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.406527 (E_RNA) where: Base-Base interactions energy: -192.764 where: short stacking energy: -82.882 Base-Backbone interact. energy: -0.686 local terms energy: -87.956736 where: bonds (distance) C4'-P energy: -15.730 bonds (distance) P-C4' energy: -16.858 flat angles C4'-P-C4' energy: -18.472 flat angles P-C4'-P energy: -13.028 tors. eta vs tors. theta energy: -23.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -255.161339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.161339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.161339 (E_RNA) where: Base-Base interactions energy: -181.999 where: short stacking energy: -95.959 Base-Backbone interact. energy: -0.162 local terms energy: -73.001180 where: bonds (distance) C4'-P energy: -12.935 bonds (distance) P-C4' energy: -12.607 flat angles C4'-P-C4' energy: -17.238 flat angles P-C4'-P energy: -7.485 tors. eta vs tors. theta energy: -22.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -215.820586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.820586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.820586 (E_RNA) where: Base-Base interactions energy: -155.208 where: short stacking energy: -81.222 Base-Backbone interact. energy: -0.242 local terms energy: -60.371173 where: bonds (distance) C4'-P energy: -8.766 bonds (distance) P-C4' energy: -12.624 flat angles C4'-P-C4' energy: -17.981 flat angles P-C4'-P energy: -7.774 tors. eta vs tors. theta energy: -13.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -261.861607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.861607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.861607 (E_RNA) where: Base-Base interactions energy: -183.645 where: short stacking energy: -73.067 Base-Backbone interact. energy: -0.446 local terms energy: -77.770854 where: bonds (distance) C4'-P energy: -16.973 bonds (distance) P-C4' energy: -20.616 flat angles C4'-P-C4' energy: -13.643 flat angles P-C4'-P energy: -7.495 tors. eta vs tors. theta energy: -19.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -218.926763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.926763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.926763 (E_RNA) where: Base-Base interactions energy: -150.487 where: short stacking energy: -71.743 Base-Backbone interact. energy: -0.304 local terms energy: -68.135271 where: bonds (distance) C4'-P energy: -14.777 bonds (distance) P-C4' energy: -11.311 flat angles C4'-P-C4' energy: -15.618 flat angles P-C4'-P energy: -7.352 tors. eta vs tors. theta energy: -19.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -202.857582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.857582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.857582 (E_RNA) where: Base-Base interactions energy: -133.167 where: short stacking energy: -67.483 Base-Backbone interact. energy: -0.959 local terms energy: -68.732259 where: bonds (distance) C4'-P energy: -13.962 bonds (distance) P-C4' energy: -17.119 flat angles C4'-P-C4' energy: -13.426 flat angles P-C4'-P energy: -12.959 tors. eta vs tors. theta energy: -11.265 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: 4 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -213.206846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.206846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.206846 (E_RNA) where: Base-Base interactions energy: -138.631 where: short stacking energy: -65.083 Base-Backbone interact. energy: 0.353 local terms energy: -74.928249 where: bonds (distance) C4'-P energy: -17.275 bonds (distance) P-C4' energy: -16.316 flat angles C4'-P-C4' energy: -16.271 flat angles P-C4'-P energy: -12.319 tors. eta vs tors. theta energy: -12.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -190.411531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.411531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.411531 (E_RNA) where: Base-Base interactions energy: -135.697 where: short stacking energy: -58.689 Base-Backbone interact. energy: -0.156 local terms energy: -54.558230 where: bonds (distance) C4'-P energy: -11.413 bonds (distance) P-C4' energy: -9.564 flat angles C4'-P-C4' energy: -13.822 flat angles P-C4'-P energy: -8.867 tors. eta vs tors. theta energy: -10.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -294.409668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.409668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.409668 (E_RNA) where: Base-Base interactions energy: -206.167 where: short stacking energy: -98.082 Base-Backbone interact. energy: 0.717 local terms energy: -88.960165 where: bonds (distance) C4'-P energy: -16.305 bonds (distance) P-C4' energy: -19.725 flat angles C4'-P-C4' energy: -18.780 flat angles P-C4'-P energy: -9.843 tors. eta vs tors. theta energy: -24.308 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: 2, replica: 7 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -282.777150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.777150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.777150 (E_RNA) where: Base-Base interactions energy: -205.992 where: short stacking energy: -97.707 Base-Backbone interact. energy: -0.105 local terms energy: -76.680070 where: bonds (distance) C4'-P energy: -12.732 bonds (distance) P-C4' energy: -18.858 flat angles C4'-P-C4' energy: -17.888 flat angles P-C4'-P energy: -5.029 tors. eta vs tors. theta energy: -22.172 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: 3, replica: 6 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -281.861907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.861907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.861907 (E_RNA) where: Base-Base interactions energy: -192.387 where: short stacking energy: -87.265 Base-Backbone interact. energy: -0.199 local terms energy: -89.275421 where: bonds (distance) C4'-P energy: -15.701 bonds (distance) P-C4' energy: -19.147 flat angles C4'-P-C4' energy: -20.507 flat angles P-C4'-P energy: -10.879 tors. eta vs tors. theta energy: -23.041 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: 9 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -236.092932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.092932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.092932 (E_RNA) where: Base-Base interactions energy: -163.386 where: short stacking energy: -81.087 Base-Backbone interact. energy: -0.352 local terms energy: -72.354239 where: bonds (distance) C4'-P energy: -18.367 bonds (distance) P-C4' energy: -16.883 flat angles C4'-P-C4' energy: -15.757 flat angles P-C4'-P energy: -0.243 tors. eta vs tors. theta energy: -21.105 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: 237 Temperature: 1.100000 Total energy: -252.679798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.679798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.679798 (E_RNA) where: Base-Base interactions energy: -169.728 where: short stacking energy: -80.482 Base-Backbone interact. energy: -0.012 local terms energy: -82.939344 where: bonds (distance) C4'-P energy: -16.534 bonds (distance) P-C4' energy: -17.830 flat angles C4'-P-C4' energy: -17.528 flat angles P-C4'-P energy: -10.562 tors. eta vs tors. theta energy: -20.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -220.935779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.935779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.935779 (E_RNA) where: Base-Base interactions energy: -151.300 where: short stacking energy: -70.520 Base-Backbone interact. energy: -0.022 local terms energy: -69.613852 where: bonds (distance) C4'-P energy: -16.758 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -15.959 flat angles P-C4'-P energy: -8.173 tors. eta vs tors. theta energy: -14.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -241.258907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.258907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.258907 (E_RNA) where: Base-Base interactions energy: -168.238 where: short stacking energy: -63.148 Base-Backbone interact. energy: -0.584 local terms energy: -72.436891 where: bonds (distance) C4'-P energy: -18.449 bonds (distance) P-C4' energy: -16.924 flat angles C4'-P-C4' energy: -15.197 flat angles P-C4'-P energy: -8.762 tors. eta vs tors. theta energy: -13.105 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: 8, replica: 4 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -213.610253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.610253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.610253 (E_RNA) where: Base-Base interactions energy: -148.470 where: short stacking energy: -73.252 Base-Backbone interact. energy: -0.077 local terms energy: -65.063070 where: bonds (distance) C4'-P energy: -11.824 bonds (distance) P-C4' energy: -15.989 flat angles C4'-P-C4' energy: -14.826 flat angles P-C4'-P energy: -7.640 tors. eta vs tors. theta energy: -14.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -200.150417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.150417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.150417 (E_RNA) where: Base-Base interactions energy: -133.695 where: short stacking energy: -56.710 Base-Backbone interact. energy: -0.848 local terms energy: -65.607068 where: bonds (distance) C4'-P energy: -10.526 bonds (distance) P-C4' energy: -17.319 flat angles C4'-P-C4' energy: -19.110 flat angles P-C4'-P energy: -6.921 tors. eta vs tors. theta energy: -11.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -179.979433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.979433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.979433 (E_RNA) where: Base-Base interactions energy: -122.875 where: short stacking energy: -54.308 Base-Backbone interact. energy: -0.273 local terms energy: -56.831367 where: bonds (distance) C4'-P energy: -14.575 bonds (distance) P-C4' energy: -11.428 flat angles C4'-P-C4' energy: -15.658 flat angles P-C4'-P energy: -10.299 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: 3 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -293.649008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.649008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.649008 (E_RNA) where: Base-Base interactions energy: -203.292 where: short stacking energy: -84.159 Base-Backbone interact. energy: -3.582 local terms energy: -86.774629 where: bonds (distance) C4'-P energy: -15.961 bonds (distance) P-C4' energy: -19.520 flat angles C4'-P-C4' energy: -18.237 flat angles P-C4'-P energy: -11.267 tors. eta vs tors. theta energy: -21.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -291.639884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.639884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.639884 (E_RNA) where: Base-Base interactions energy: -202.370 where: short stacking energy: -90.211 Base-Backbone interact. energy: -0.129 local terms energy: -89.141070 where: bonds (distance) C4'-P energy: -17.564 bonds (distance) P-C4' energy: -16.691 flat angles C4'-P-C4' energy: -20.788 flat angles P-C4'-P energy: -11.120 tors. eta vs tors. theta energy: -22.978 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: 3, replica: 9 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -234.468250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.468250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.468250 (E_RNA) where: Base-Base interactions energy: -161.675 where: short stacking energy: -80.913 Base-Backbone interact. energy: 1.586 local terms energy: -74.378797 where: bonds (distance) C4'-P energy: -15.375 bonds (distance) P-C4' energy: -17.574 flat angles C4'-P-C4' energy: -10.439 flat angles P-C4'-P energy: -10.173 tors. eta vs tors. theta energy: -20.818 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: 6 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -251.008482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.008482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.008482 (E_RNA) where: Base-Base interactions energy: -180.376 where: short stacking energy: -78.095 Base-Backbone interact. energy: -1.508 local terms energy: -69.124270 where: bonds (distance) C4'-P energy: -10.638 bonds (distance) P-C4' energy: -15.639 flat angles C4'-P-C4' energy: -18.063 flat angles P-C4'-P energy: -9.250 tors. eta vs tors. theta energy: -15.534 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: 5, replica: 10 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -242.587326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.587326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.587326 (E_RNA) where: Base-Base interactions energy: -164.055 where: short stacking energy: -76.545 Base-Backbone interact. energy: -0.209 local terms energy: -78.323704 where: bonds (distance) C4'-P energy: -16.288 bonds (distance) P-C4' energy: -19.051 flat angles C4'-P-C4' energy: -15.659 flat angles P-C4'-P energy: -7.919 tors. eta vs tors. theta energy: -19.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -218.934826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.934826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.934826 (E_RNA) where: Base-Base interactions energy: -144.920 where: short stacking energy: -63.396 Base-Backbone interact. energy: -1.023 local terms energy: -72.991298 where: bonds (distance) C4'-P energy: -15.293 bonds (distance) P-C4' energy: -17.466 flat angles C4'-P-C4' energy: -14.824 flat angles P-C4'-P energy: -9.761 tors. eta vs tors. theta energy: -15.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -242.996728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.996728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.996728 (E_RNA) where: Base-Base interactions energy: -175.407 where: short stacking energy: -72.365 Base-Backbone interact. energy: -1.697 local terms energy: -65.893578 where: bonds (distance) C4'-P energy: -12.457 bonds (distance) P-C4' energy: -7.002 flat angles C4'-P-C4' energy: -19.822 flat angles P-C4'-P energy: -7.297 tors. eta vs tors. theta energy: -19.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -201.357453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.357453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.357453 (E_RNA) where: Base-Base interactions energy: -132.260 where: short stacking energy: -63.658 Base-Backbone interact. energy: -0.205 local terms energy: -68.892469 where: bonds (distance) C4'-P energy: -16.562 bonds (distance) P-C4' energy: -17.272 flat angles C4'-P-C4' energy: -15.302 flat angles P-C4'-P energy: -9.885 tors. eta vs tors. theta energy: -9.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -196.047964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.047964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.047964 (E_RNA) where: Base-Base interactions energy: -121.715 where: short stacking energy: -54.814 Base-Backbone interact. energy: 0.194 local terms energy: -74.526871 where: bonds (distance) C4'-P energy: -16.033 bonds (distance) P-C4' energy: -18.945 flat angles C4'-P-C4' energy: -15.571 flat angles P-C4'-P energy: -12.884 tors. eta vs tors. theta energy: -11.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -192.959384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.959384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.959384 (E_RNA) where: Base-Base interactions energy: -130.256 where: short stacking energy: -64.741 Base-Backbone interact. energy: -1.655 local terms energy: -61.048468 where: bonds (distance) C4'-P energy: -16.040 bonds (distance) P-C4' energy: -14.968 flat angles C4'-P-C4' energy: -13.699 flat angles P-C4'-P energy: -3.624 tors. eta vs tors. theta energy: -12.717 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: 1, replica: 3 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -292.169962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.169962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.169962 (E_RNA) where: Base-Base interactions energy: -202.845 where: short stacking energy: -88.000 Base-Backbone interact. energy: -0.835 local terms energy: -88.490364 where: bonds (distance) C4'-P energy: -17.754 bonds (distance) P-C4' energy: -18.781 flat angles C4'-P-C4' energy: -18.097 flat angles P-C4'-P energy: -10.734 tors. eta vs tors. theta energy: -23.125 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: 2, replica: 7 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -290.695907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.695907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.695907 (E_RNA) where: Base-Base interactions energy: -209.817 where: short stacking energy: -89.546 Base-Backbone interact. energy: -1.082 local terms energy: -79.796860 where: bonds (distance) C4'-P energy: -13.060 bonds (distance) P-C4' energy: -15.285 flat angles C4'-P-C4' energy: -15.331 flat angles P-C4'-P energy: -14.065 tors. eta vs tors. theta energy: -22.056 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: 239 Temperature: 1.000000 Total energy: -245.935478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.935478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.935478 (E_RNA) where: Base-Base interactions energy: -164.273 where: short stacking energy: -74.120 Base-Backbone interact. energy: -0.747 local terms energy: -80.915447 where: bonds (distance) C4'-P energy: -18.057 bonds (distance) P-C4' energy: -17.922 flat angles C4'-P-C4' energy: -14.745 flat angles P-C4'-P energy: -11.625 tors. eta vs tors. theta energy: -18.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -242.924710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.924710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.924710 (E_RNA) where: Base-Base interactions energy: -163.313 where: short stacking energy: -79.580 Base-Backbone interact. energy: -0.715 local terms energy: -78.896690 where: bonds (distance) C4'-P energy: -16.112 bonds (distance) P-C4' energy: -17.120 flat angles C4'-P-C4' energy: -16.370 flat angles P-C4'-P energy: -9.328 tors. eta vs tors. theta energy: -19.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -248.231510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.231510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.231510 (E_RNA) where: Base-Base interactions energy: -169.582 where: short stacking energy: -67.645 Base-Backbone interact. energy: -3.200 local terms energy: -75.449485 where: bonds (distance) C4'-P energy: -15.395 bonds (distance) P-C4' energy: -17.926 flat angles C4'-P-C4' energy: -15.048 flat angles P-C4'-P energy: -11.003 tors. eta vs tors. theta energy: -16.077 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: 8 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -227.067570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.067570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.067570 (E_RNA) where: Base-Base interactions energy: -159.293 where: short stacking energy: -86.938 Base-Backbone interact. energy: -0.004 local terms energy: -67.770690 where: bonds (distance) C4'-P energy: -10.587 bonds (distance) P-C4' energy: -14.575 flat angles C4'-P-C4' energy: -15.786 flat angles P-C4'-P energy: -7.424 tors. eta vs tors. theta energy: -19.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -215.098118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.098118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.098118 (E_RNA) where: Base-Base interactions energy: -144.114 where: short stacking energy: -75.244 Base-Backbone interact. energy: -0.368 local terms energy: -70.616752 where: bonds (distance) C4'-P energy: -15.556 bonds (distance) P-C4' energy: -12.602 flat angles C4'-P-C4' energy: -15.718 flat angles P-C4'-P energy: -11.939 tors. eta vs tors. theta energy: -14.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -207.254996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.254996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.254996 (E_RNA) where: Base-Base interactions energy: -142.669 where: short stacking energy: -73.244 Base-Backbone interact. energy: -0.217 local terms energy: -64.369241 where: bonds (distance) C4'-P energy: -10.512 bonds (distance) P-C4' energy: -15.838 flat angles C4'-P-C4' energy: -12.631 flat angles P-C4'-P energy: -8.127 tors. eta vs tors. theta energy: -17.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -202.169940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.169940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.169940 (E_RNA) where: Base-Base interactions energy: -135.952 where: short stacking energy: -66.211 Base-Backbone interact. energy: 0.150 local terms energy: -66.367876 where: bonds (distance) C4'-P energy: -15.730 bonds (distance) P-C4' energy: -11.720 flat angles C4'-P-C4' energy: -18.924 flat angles P-C4'-P energy: -7.557 tors. eta vs tors. theta energy: -12.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -212.141544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.141544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.141544 (E_RNA) where: Base-Base interactions energy: -143.342 where: short stacking energy: -60.243 Base-Backbone interact. energy: -0.350 local terms energy: -68.449228 where: bonds (distance) C4'-P energy: -10.525 bonds (distance) P-C4' energy: -16.881 flat angles C4'-P-C4' energy: -13.803 flat angles P-C4'-P energy: -11.298 tors. eta vs tors. theta energy: -15.942 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: 1, replica: 3 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -285.016574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.016574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.016574 (E_RNA) where: Base-Base interactions energy: -197.463 where: short stacking energy: -87.715 Base-Backbone interact. energy: -2.319 local terms energy: -85.234304 where: bonds (distance) C4'-P energy: -15.684 bonds (distance) P-C4' energy: -18.281 flat angles C4'-P-C4' energy: -18.964 flat angles P-C4'-P energy: -12.248 tors. eta vs tors. theta energy: -20.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -286.563867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.563867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.563867 (E_RNA) where: Base-Base interactions energy: -202.895 where: short stacking energy: -90.262 Base-Backbone interact. energy: 1.337 local terms energy: -85.006460 where: bonds (distance) C4'-P energy: -15.456 bonds (distance) P-C4' energy: -20.419 flat angles C4'-P-C4' energy: -17.031 flat angles P-C4'-P energy: -10.375 tors. eta vs tors. theta energy: -21.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -243.648713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.648713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.648713 (E_RNA) where: Base-Base interactions energy: -166.729 where: short stacking energy: -79.787 Base-Backbone interact. energy: -0.345 local terms energy: -76.574677 where: bonds (distance) C4'-P energy: -13.553 bonds (distance) P-C4' energy: -17.774 flat angles C4'-P-C4' energy: -16.515 flat angles P-C4'-P energy: -11.016 tors. eta vs tors. theta energy: -17.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -229.045042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.045042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.045042 (E_RNA) where: Base-Base interactions energy: -158.435 where: short stacking energy: -75.192 Base-Backbone interact. energy: -0.368 local terms energy: -70.241863 where: bonds (distance) C4'-P energy: -13.508 bonds (distance) P-C4' energy: -15.928 flat angles C4'-P-C4' energy: -13.039 flat angles P-C4'-P energy: -8.207 tors. eta vs tors. theta energy: -19.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -248.986456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.986456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.986456 (E_RNA) where: Base-Base interactions energy: -170.520 where: short stacking energy: -83.890 Base-Backbone interact. energy: 1.306 local terms energy: -79.771842 where: bonds (distance) C4'-P energy: -16.156 bonds (distance) P-C4' energy: -15.121 flat angles C4'-P-C4' energy: -20.618 flat angles P-C4'-P energy: -8.245 tors. eta vs tors. theta energy: -19.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -239.420941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.420941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.420941 (E_RNA) where: Base-Base interactions energy: -157.474 where: short stacking energy: -78.150 Base-Backbone interact. energy: 0.089 local terms energy: -82.035498 where: bonds (distance) C4'-P energy: -16.032 bonds (distance) P-C4' energy: -18.158 flat angles C4'-P-C4' energy: -19.180 flat angles P-C4'-P energy: -9.020 tors. eta vs tors. theta energy: -19.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -213.807006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.807006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.807006 (E_RNA) where: Base-Base interactions energy: -149.491 where: short stacking energy: -69.561 Base-Backbone interact. energy: -0.167 local terms energy: -64.148421 where: bonds (distance) C4'-P energy: -13.610 bonds (distance) P-C4' energy: -14.780 flat angles C4'-P-C4' energy: -18.730 flat angles P-C4'-P energy: -5.807 tors. eta vs tors. theta energy: -11.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -211.747282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.747282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.747282 (E_RNA) where: Base-Base interactions energy: -147.722 where: short stacking energy: -71.316 Base-Backbone interact. energy: -0.296 local terms energy: -63.729071 where: bonds (distance) C4'-P energy: -18.731 bonds (distance) P-C4' energy: -13.760 flat angles C4'-P-C4' energy: -14.974 flat angles P-C4'-P energy: 2.324 tors. eta vs tors. theta energy: -18.588 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: 5 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -207.611345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.611345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.611345 (E_RNA) where: Base-Base interactions energy: -146.808 where: short stacking energy: -65.485 Base-Backbone interact. energy: -0.099 local terms energy: -60.704811 where: bonds (distance) C4'-P energy: -14.252 bonds (distance) P-C4' energy: -11.515 flat angles C4'-P-C4' energy: -15.062 flat angles P-C4'-P energy: -9.207 tors. eta vs tors. theta energy: -10.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -193.424198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.424198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.424198 (E_RNA) where: Base-Base interactions energy: -134.796 where: short stacking energy: -56.802 Base-Backbone interact. energy: -0.281 local terms energy: -58.347543 where: bonds (distance) C4'-P energy: -15.465 bonds (distance) P-C4' energy: -8.910 flat angles C4'-P-C4' energy: -13.912 flat angles P-C4'-P energy: -10.579 tors. eta vs tors. theta energy: -9.481 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: 3 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -290.750169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.750169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.750169 (E_RNA) where: Base-Base interactions energy: -204.775 where: short stacking energy: -94.529 Base-Backbone interact. energy: -1.331 local terms energy: -84.644458 where: bonds (distance) C4'-P energy: -13.606 bonds (distance) P-C4' energy: -20.129 flat angles C4'-P-C4' energy: -18.326 flat angles P-C4'-P energy: -10.764 tors. eta vs tors. theta energy: -21.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -292.526088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.526088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.526088 (E_RNA) where: Base-Base interactions energy: -206.853 where: short stacking energy: -92.922 Base-Backbone interact. energy: -0.083 local terms energy: -85.589688 where: bonds (distance) C4'-P energy: -17.332 bonds (distance) P-C4' energy: -20.169 flat angles C4'-P-C4' energy: -17.681 flat angles P-C4'-P energy: -10.699 tors. eta vs tors. theta energy: -19.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -242.449618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.449618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.449618 (E_RNA) where: Base-Base interactions energy: -163.675 where: short stacking energy: -82.582 Base-Backbone interact. energy: -0.013 local terms energy: -78.762559 where: bonds (distance) C4'-P energy: -17.899 bonds (distance) P-C4' energy: -15.609 flat angles C4'-P-C4' energy: -17.190 flat angles P-C4'-P energy: -9.749 tors. eta vs tors. theta energy: -18.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -258.246852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.246852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.246852 (E_RNA) where: Base-Base interactions energy: -170.046 where: short stacking energy: -80.031 Base-Backbone interact. energy: -0.945 local terms energy: -87.255694 where: bonds (distance) C4'-P energy: -19.323 bonds (distance) P-C4' energy: -18.942 flat angles C4'-P-C4' energy: -18.154 flat angles P-C4'-P energy: -12.022 tors. eta vs tors. theta energy: -18.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -223.442862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.442862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.442862 (E_RNA) where: Base-Base interactions energy: -152.221 where: short stacking energy: -72.190 Base-Backbone interact. energy: -0.055 local terms energy: -71.166534 where: bonds (distance) C4'-P energy: -15.365 bonds (distance) P-C4' energy: -17.601 flat angles C4'-P-C4' energy: -12.362 flat angles P-C4'-P energy: -6.928 tors. eta vs tors. theta energy: -18.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -212.143299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.143299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.143299 (E_RNA) where: Base-Base interactions energy: -133.100 where: short stacking energy: -62.034 Base-Backbone interact. energy: -0.104 local terms energy: -78.939573 where: bonds (distance) C4'-P energy: -18.347 bonds (distance) P-C4' energy: -14.776 flat angles C4'-P-C4' energy: -18.209 flat angles P-C4'-P energy: -9.323 tors. eta vs tors. theta energy: -18.284 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: 1 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -212.589373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.589373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.589373 (E_RNA) where: Base-Base interactions energy: -147.978 where: short stacking energy: -78.899 Base-Backbone interact. energy: -0.022 local terms energy: -64.590136 where: bonds (distance) C4'-P energy: -13.024 bonds (distance) P-C4' energy: -11.691 flat angles C4'-P-C4' energy: -11.157 flat angles P-C4'-P energy: -10.229 tors. eta vs tors. theta energy: -18.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -205.681759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.681759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.681759 (E_RNA) where: Base-Base interactions energy: -143.040 where: short stacking energy: -70.034 Base-Backbone interact. energy: -0.172 local terms energy: -62.470257 where: bonds (distance) C4'-P energy: -11.769 bonds (distance) P-C4' energy: -8.543 flat angles C4'-P-C4' energy: -16.316 flat angles P-C4'-P energy: -9.188 tors. eta vs tors. theta energy: -16.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -195.806665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.806665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.806665 (E_RNA) where: Base-Base interactions energy: -129.399 where: short stacking energy: -59.464 Base-Backbone interact. energy: -0.035 local terms energy: -66.373076 where: bonds (distance) C4'-P energy: -10.800 bonds (distance) P-C4' energy: -16.562 flat angles C4'-P-C4' energy: -16.141 flat angles P-C4'-P energy: -9.174 tors. eta vs tors. theta energy: -13.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -196.359089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.359089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.359089 (E_RNA) where: Base-Base interactions energy: -140.305 where: short stacking energy: -70.355 Base-Backbone interact. energy: -0.022 local terms energy: -56.032941 where: bonds (distance) C4'-P energy: -6.147 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -15.562 flat angles P-C4'-P energy: -5.345 tors. eta vs tors. theta energy: -13.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -292.972569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.972569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.972569 (E_RNA) where: Base-Base interactions energy: -208.020 where: short stacking energy: -90.606 Base-Backbone interact. energy: -1.111 local terms energy: -83.840926 where: bonds (distance) C4'-P energy: -16.499 bonds (distance) P-C4' energy: -18.154 flat angles C4'-P-C4' energy: -18.819 flat angles P-C4'-P energy: -9.167 tors. eta vs tors. theta energy: -21.201 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: 3 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -284.734791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.734791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.734791 (E_RNA) where: Base-Base interactions energy: -196.434 where: short stacking energy: -90.646 Base-Backbone interact. energy: -1.977 local terms energy: -86.323885 where: bonds (distance) C4'-P energy: -15.842 bonds (distance) P-C4' energy: -17.016 flat angles C4'-P-C4' energy: -17.857 flat angles P-C4'-P energy: -12.426 tors. eta vs tors. theta energy: -23.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -268.738298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.738298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.738298 (E_RNA) where: Base-Base interactions energy: -188.885 where: short stacking energy: -83.650 Base-Backbone interact. energy: -0.390 local terms energy: -79.463159 where: bonds (distance) C4'-P energy: -15.457 bonds (distance) P-C4' energy: -19.393 flat angles C4'-P-C4' energy: -18.621 flat angles P-C4'-P energy: -8.390 tors. eta vs tors. theta energy: -17.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -236.984480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.984480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.984480 (E_RNA) where: Base-Base interactions energy: -165.434 where: short stacking energy: -81.770 Base-Backbone interact. energy: -1.569 local terms energy: -69.981475 where: bonds (distance) C4'-P energy: -14.438 bonds (distance) P-C4' energy: -9.647 flat angles C4'-P-C4' energy: -18.266 flat angles P-C4'-P energy: -11.552 tors. eta vs tors. theta energy: -16.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -231.087501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.087501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.087501 (E_RNA) where: Base-Base interactions energy: -160.868 where: short stacking energy: -74.336 Base-Backbone interact. energy: -0.789 local terms energy: -69.430429 where: bonds (distance) C4'-P energy: -7.881 bonds (distance) P-C4' energy: -15.369 flat angles C4'-P-C4' energy: -15.589 flat angles P-C4'-P energy: -9.926 tors. eta vs tors. theta energy: -20.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -217.443817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.443817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.443817 (E_RNA) where: Base-Base interactions energy: -140.781 where: short stacking energy: -65.609 Base-Backbone interact. energy: -0.003 local terms energy: -76.660419 where: bonds (distance) C4'-P energy: -16.899 bonds (distance) P-C4' energy: -17.833 flat angles C4'-P-C4' energy: -17.028 flat angles P-C4'-P energy: -11.808 tors. eta vs tors. theta energy: -13.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -225.841136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.841136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.841136 (E_RNA) where: Base-Base interactions energy: -148.562 where: short stacking energy: -66.070 Base-Backbone interact. energy: -2.291 local terms energy: -74.987826 where: bonds (distance) C4'-P energy: -15.125 bonds (distance) P-C4' energy: -19.045 flat angles C4'-P-C4' energy: -16.213 flat angles P-C4'-P energy: -11.961 tors. eta vs tors. theta energy: -12.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -193.784551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.784551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.784551 (E_RNA) where: Base-Base interactions energy: -133.070 where: short stacking energy: -56.251 Base-Backbone interact. energy: -0.209 local terms energy: -60.505496 where: bonds (distance) C4'-P energy: -13.181 bonds (distance) P-C4' energy: -15.259 flat angles C4'-P-C4' energy: -15.527 flat angles P-C4'-P energy: -8.045 tors. eta vs tors. theta energy: -8.494 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: 2 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -212.977281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.977281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.977281 (E_RNA) where: Base-Base interactions energy: -152.264 where: short stacking energy: -61.955 Base-Backbone interact. energy: -0.008 local terms energy: -60.704677 where: bonds (distance) C4'-P energy: -12.204 bonds (distance) P-C4' energy: -18.866 flat angles C4'-P-C4' energy: -4.839 flat angles P-C4'-P energy: -8.815 tors. eta vs tors. theta energy: -15.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -186.976121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.976121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.976121 (E_RNA) where: Base-Base interactions energy: -135.731 where: short stacking energy: -48.585 Base-Backbone interact. energy: -0.396 local terms energy: -50.849267 where: bonds (distance) C4'-P energy: -13.713 bonds (distance) P-C4' energy: -14.993 flat angles C4'-P-C4' energy: -7.445 flat angles P-C4'-P energy: -5.816 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: 1, replica: 7 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -295.740004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.740004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.740004 (E_RNA) where: Base-Base interactions energy: -211.732 where: short stacking energy: -89.547 Base-Backbone interact. energy: -1.498 local terms energy: -82.510659 where: bonds (distance) C4'-P energy: -17.431 bonds (distance) P-C4' energy: -17.635 flat angles C4'-P-C4' energy: -15.119 flat angles P-C4'-P energy: -9.053 tors. eta vs tors. theta energy: -23.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -282.810926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.810926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.810926 (E_RNA) where: Base-Base interactions energy: -199.401 where: short stacking energy: -88.657 Base-Backbone interact. energy: -0.251 local terms energy: -83.158872 where: bonds (distance) C4'-P energy: -16.823 bonds (distance) P-C4' energy: -16.695 flat angles C4'-P-C4' energy: -18.077 flat angles P-C4'-P energy: -12.264 tors. eta vs tors. theta energy: -19.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -263.159699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.159699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.159699 (E_RNA) where: Base-Base interactions energy: -186.909 where: short stacking energy: -87.970 Base-Backbone interact. energy: 0.703 local terms energy: -76.954443 where: bonds (distance) C4'-P energy: -17.179 bonds (distance) P-C4' energy: -13.877 flat angles C4'-P-C4' energy: -15.864 flat angles P-C4'-P energy: -12.133 tors. eta vs tors. theta energy: -17.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -234.974984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.974984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.974984 (E_RNA) where: Base-Base interactions energy: -160.877 where: short stacking energy: -73.346 Base-Backbone interact. energy: -0.066 local terms energy: -74.031430 where: bonds (distance) C4'-P energy: -17.163 bonds (distance) P-C4' energy: -17.741 flat angles C4'-P-C4' energy: -16.271 flat angles P-C4'-P energy: -7.046 tors. eta vs tors. theta energy: -15.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -237.592323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.592323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.592323 (E_RNA) where: Base-Base interactions energy: -161.772 where: short stacking energy: -89.046 Base-Backbone interact. energy: -1.291 local terms energy: -74.530141 where: bonds (distance) C4'-P energy: -12.442 bonds (distance) P-C4' energy: -17.456 flat angles C4'-P-C4' energy: -15.480 flat angles P-C4'-P energy: -9.703 tors. eta vs tors. theta energy: -19.449 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: 5 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -240.715826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.715826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.715826 (E_RNA) where: Base-Base interactions energy: -160.195 where: short stacking energy: -81.568 Base-Backbone interact. energy: -0.137 local terms energy: -80.384082 where: bonds (distance) C4'-P energy: -16.263 bonds (distance) P-C4' energy: -16.887 flat angles C4'-P-C4' energy: -17.409 flat angles P-C4'-P energy: -8.901 tors. eta vs tors. theta energy: -20.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -217.267551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.267551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.267551 (E_RNA) where: Base-Base interactions energy: -154.519 where: short stacking energy: -73.539 Base-Backbone interact. energy: -0.624 local terms energy: -62.124348 where: bonds (distance) C4'-P energy: -10.597 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -17.491 flat angles P-C4'-P energy: -8.332 tors. eta vs tors. theta energy: -19.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -223.240390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.240390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.240390 (E_RNA) where: Base-Base interactions energy: -153.388 where: short stacking energy: -73.004 Base-Backbone interact. energy: 0.531 local terms energy: -70.383820 where: bonds (distance) C4'-P energy: -19.671 bonds (distance) P-C4' energy: -15.198 flat angles C4'-P-C4' energy: -12.532 flat angles P-C4'-P energy: -6.548 tors. eta vs tors. theta energy: -16.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -207.720153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.720153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.720153 (E_RNA) where: Base-Base interactions energy: -139.532 where: short stacking energy: -70.023 Base-Backbone interact. energy: -0.732 local terms energy: -67.455538 where: bonds (distance) C4'-P energy: -17.373 bonds (distance) P-C4' energy: -15.905 flat angles C4'-P-C4' energy: -12.088 flat angles P-C4'-P energy: -8.093 tors. eta vs tors. theta energy: -13.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -190.380164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.380164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.380164 (E_RNA) where: Base-Base interactions energy: -128.407 where: short stacking energy: -57.258 Base-Backbone interact. energy: 1.171 local terms energy: -63.144050 where: bonds (distance) C4'-P energy: -11.805 bonds (distance) P-C4' energy: -12.606 flat angles C4'-P-C4' energy: -17.715 flat angles P-C4'-P energy: -11.429 tors. eta vs tors. theta energy: -9.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -289.307598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.307598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.307598 (E_RNA) where: Base-Base interactions energy: -206.117 where: short stacking energy: -87.472 Base-Backbone interact. energy: -0.678 local terms energy: -82.512970 where: bonds (distance) C4'-P energy: -15.942 bonds (distance) P-C4' energy: -15.949 flat angles C4'-P-C4' energy: -20.067 flat angles P-C4'-P energy: -9.051 tors. eta vs tors. theta energy: -21.504 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: 7 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -294.408291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.408291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.408291 (E_RNA) where: Base-Base interactions energy: -205.256 where: short stacking energy: -89.064 Base-Backbone interact. energy: -1.228 local terms energy: -87.924782 where: bonds (distance) C4'-P energy: -16.910 bonds (distance) P-C4' energy: -20.616 flat angles C4'-P-C4' energy: -18.178 flat angles P-C4'-P energy: -9.399 tors. eta vs tors. theta energy: -22.821 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: 6 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -268.158303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.158303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.158303 (E_RNA) where: Base-Base interactions energy: -184.906 where: short stacking energy: -77.955 Base-Backbone interact. energy: -2.301 local terms energy: -80.951276 where: bonds (distance) C4'-P energy: -19.406 bonds (distance) P-C4' energy: -16.013 flat angles C4'-P-C4' energy: -18.422 flat angles P-C4'-P energy: -6.893 tors. eta vs tors. theta energy: -20.218 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: 244 Temperature: 1.050000 Total energy: -243.331087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.331087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.331087 (E_RNA) where: Base-Base interactions energy: -167.977 where: short stacking energy: -89.195 Base-Backbone interact. energy: -0.025 local terms energy: -75.328996 where: bonds (distance) C4'-P energy: -19.534 bonds (distance) P-C4' energy: -9.884 flat angles C4'-P-C4' energy: -16.721 flat angles P-C4'-P energy: -11.042 tors. eta vs tors. theta energy: -18.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -240.990240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.990240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.990240 (E_RNA) where: Base-Base interactions energy: -167.407 where: short stacking energy: -79.588 Base-Backbone interact. energy: 0.196 local terms energy: -73.779735 where: bonds (distance) C4'-P energy: -14.828 bonds (distance) P-C4' energy: -14.125 flat angles C4'-P-C4' energy: -15.520 flat angles P-C4'-P energy: -10.629 tors. eta vs tors. theta energy: -18.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -226.992710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.992710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.992710 (E_RNA) where: Base-Base interactions energy: -150.522 where: short stacking energy: -77.308 Base-Backbone interact. energy: -0.518 local terms energy: -75.952725 where: bonds (distance) C4'-P energy: -16.856 bonds (distance) P-C4' energy: -17.126 flat angles C4'-P-C4' energy: -15.529 flat angles P-C4'-P energy: -10.074 tors. eta vs tors. theta energy: -16.369 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: 2 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -224.302990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.302990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.302990 (E_RNA) where: Base-Base interactions energy: -153.050 where: short stacking energy: -75.593 Base-Backbone interact. energy: 1.275 local terms energy: -72.527549 where: bonds (distance) C4'-P energy: -16.757 bonds (distance) P-C4' energy: -14.797 flat angles C4'-P-C4' energy: -14.415 flat angles P-C4'-P energy: -8.571 tors. eta vs tors. theta energy: -17.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -202.196416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.196416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.196416 (E_RNA) where: Base-Base interactions energy: -135.785 where: short stacking energy: -55.394 Base-Backbone interact. energy: -0.429 local terms energy: -65.981552 where: bonds (distance) C4'-P energy: -16.856 bonds (distance) P-C4' energy: -17.827 flat angles C4'-P-C4' energy: -17.765 flat angles P-C4'-P energy: -7.728 tors. eta vs tors. theta energy: -5.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -203.348087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.348087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.348087 (E_RNA) where: Base-Base interactions energy: -134.329 where: short stacking energy: -55.437 Base-Backbone interact. energy: -0.264 local terms energy: -68.754189 where: bonds (distance) C4'-P energy: -13.379 bonds (distance) P-C4' energy: -17.531 flat angles C4'-P-C4' energy: -17.459 flat angles P-C4'-P energy: -8.001 tors. eta vs tors. theta energy: -12.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -196.040313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.040313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.040313 (E_RNA) where: Base-Base interactions energy: -126.044 where: short stacking energy: -53.477 Base-Backbone interact. energy: -0.489 local terms energy: -69.507275 where: bonds (distance) C4'-P energy: -11.589 bonds (distance) P-C4' energy: -19.622 flat angles C4'-P-C4' energy: -15.639 flat angles P-C4'-P energy: -12.040 tors. eta vs tors. theta energy: -10.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -289.497275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.497275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.497275 (E_RNA) where: Base-Base interactions energy: -204.151 where: short stacking energy: -79.124 Base-Backbone interact. energy: -0.341 local terms energy: -85.004870 where: bonds (distance) C4'-P energy: -17.992 bonds (distance) P-C4' energy: -19.954 flat angles C4'-P-C4' energy: -20.370 flat angles P-C4'-P energy: -7.979 tors. eta vs tors. theta energy: -18.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -287.151292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.151292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.151292 (E_RNA) where: Base-Base interactions energy: -200.245 where: short stacking energy: -88.885 Base-Backbone interact. energy: -0.918 local terms energy: -85.988901 where: bonds (distance) C4'-P energy: -17.900 bonds (distance) P-C4' energy: -18.470 flat angles C4'-P-C4' energy: -18.507 flat angles P-C4'-P energy: -10.263 tors. eta vs tors. theta energy: -20.848 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: 7 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -288.694361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.694361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.694361 (E_RNA) where: Base-Base interactions energy: -203.178 where: short stacking energy: -92.592 Base-Backbone interact. energy: -3.845 local terms energy: -81.671749 where: bonds (distance) C4'-P energy: -17.791 bonds (distance) P-C4' energy: -15.736 flat angles C4'-P-C4' energy: -13.539 flat angles P-C4'-P energy: -12.328 tors. eta vs tors. theta energy: -22.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -247.619915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.619915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.619915 (E_RNA) where: Base-Base interactions energy: -166.198 where: short stacking energy: -80.647 Base-Backbone interact. energy: -0.204 local terms energy: -81.217619 where: bonds (distance) C4'-P energy: -17.887 bonds (distance) P-C4' energy: -19.327 flat angles C4'-P-C4' energy: -17.807 flat angles P-C4'-P energy: -6.160 tors. eta vs tors. theta energy: -20.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -229.081733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.081733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.081733 (E_RNA) where: Base-Base interactions energy: -148.083 where: short stacking energy: -69.334 Base-Backbone interact. energy: -0.947 local terms energy: -80.051404 where: bonds (distance) C4'-P energy: -14.956 bonds (distance) P-C4' energy: -19.345 flat angles C4'-P-C4' energy: -16.672 flat angles P-C4'-P energy: -12.633 tors. eta vs tors. theta energy: -16.445 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: 6, replica: 2 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -223.483436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.483436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.483436 (E_RNA) where: Base-Base interactions energy: -155.055 where: short stacking energy: -72.364 Base-Backbone interact. energy: -0.004 local terms energy: -68.424267 where: bonds (distance) C4'-P energy: -11.153 bonds (distance) P-C4' energy: -20.451 flat angles C4'-P-C4' energy: -11.040 flat angles P-C4'-P energy: -6.819 tors. eta vs tors. theta energy: -18.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -222.511365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.511365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.511365 (E_RNA) where: Base-Base interactions energy: -147.669 where: short stacking energy: -71.073 Base-Backbone interact. energy: 0.281 local terms energy: -75.123054 where: bonds (distance) C4'-P energy: -18.574 bonds (distance) P-C4' energy: -10.591 flat angles C4'-P-C4' energy: -15.152 flat angles P-C4'-P energy: -11.667 tors. eta vs tors. theta energy: -19.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -205.399296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.399296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.399296 (E_RNA) where: Base-Base interactions energy: -130.435 where: short stacking energy: -54.498 Base-Backbone interact. energy: -0.235 local terms energy: -74.729067 where: bonds (distance) C4'-P energy: -14.947 bonds (distance) P-C4' energy: -15.728 flat angles C4'-P-C4' energy: -17.472 flat angles P-C4'-P energy: -10.441 tors. eta vs tors. theta energy: -16.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -205.443153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.443153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.443153 (E_RNA) where: Base-Base interactions energy: -142.984 where: short stacking energy: -66.116 Base-Backbone interact. energy: -0.113 local terms energy: -62.346002 where: bonds (distance) C4'-P energy: -9.168 bonds (distance) P-C4' energy: -13.833 flat angles C4'-P-C4' energy: -7.844 flat angles P-C4'-P energy: -11.858 tors. eta vs tors. theta energy: -19.643 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: 1 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -200.235473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.235473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.235473 (E_RNA) where: Base-Base interactions energy: -129.432 where: short stacking energy: -58.185 Base-Backbone interact. energy: -0.297 local terms energy: -70.506886 where: bonds (distance) C4'-P energy: -17.820 bonds (distance) P-C4' energy: -12.336 flat angles C4'-P-C4' energy: -16.888 flat angles P-C4'-P energy: -11.243 tors. eta vs tors. theta energy: -12.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -295.079612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.079612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.079612 (E_RNA) where: Base-Base interactions energy: -204.788 where: short stacking energy: -84.570 Base-Backbone interact. energy: -1.993 local terms energy: -88.298967 where: bonds (distance) C4'-P energy: -18.491 bonds (distance) P-C4' energy: -19.355 flat angles C4'-P-C4' energy: -21.093 flat angles P-C4'-P energy: -9.828 tors. eta vs tors. theta energy: -19.532 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: 6 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -278.819633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.819633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.819633 (E_RNA) where: Base-Base interactions energy: -191.672 where: short stacking energy: -84.798 Base-Backbone interact. energy: -1.117 local terms energy: -86.030158 where: bonds (distance) C4'-P energy: -19.369 bonds (distance) P-C4' energy: -15.802 flat angles C4'-P-C4' energy: -17.603 flat angles P-C4'-P energy: -11.368 tors. eta vs tors. theta energy: -21.889 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: 3, replica: 7 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -288.685217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.685217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.685217 (E_RNA) where: Base-Base interactions energy: -201.994 where: short stacking energy: -93.610 Base-Backbone interact. energy: -0.982 local terms energy: -85.709426 where: bonds (distance) C4'-P energy: -15.617 bonds (distance) P-C4' energy: -19.013 flat angles C4'-P-C4' energy: -18.321 flat angles P-C4'-P energy: -11.237 tors. eta vs tors. theta energy: -21.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -243.444220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.444220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.444220 (E_RNA) where: Base-Base interactions energy: -170.506 where: short stacking energy: -83.182 Base-Backbone interact. energy: -0.088 local terms energy: -72.850047 where: bonds (distance) C4'-P energy: -13.567 bonds (distance) P-C4' energy: -17.748 flat angles C4'-P-C4' energy: -15.025 flat angles P-C4'-P energy: -9.828 tors. eta vs tors. theta energy: -16.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -236.941078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.941078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.941078 (E_RNA) where: Base-Base interactions energy: -163.642 where: short stacking energy: -71.102 Base-Backbone interact. energy: -0.392 local terms energy: -72.907139 where: bonds (distance) C4'-P energy: -15.846 bonds (distance) P-C4' energy: -19.056 flat angles C4'-P-C4' energy: -14.392 flat angles P-C4'-P energy: -6.778 tors. eta vs tors. theta energy: -16.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -243.326418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.326418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.326418 (E_RNA) where: Base-Base interactions energy: -165.765 where: short stacking energy: -84.186 Base-Backbone interact. energy: -0.004 local terms energy: -77.556656 where: bonds (distance) C4'-P energy: -16.211 bonds (distance) P-C4' energy: -19.333 flat angles C4'-P-C4' energy: -15.448 flat angles P-C4'-P energy: -10.032 tors. eta vs tors. theta energy: -16.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -221.129435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.129435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.129435 (E_RNA) where: Base-Base interactions energy: -151.675 where: short stacking energy: -71.922 Base-Backbone interact. energy: -0.073 local terms energy: -69.380987 where: bonds (distance) C4'-P energy: -16.015 bonds (distance) P-C4' energy: -11.931 flat angles C4'-P-C4' energy: -17.519 flat angles P-C4'-P energy: -8.168 tors. eta vs tors. theta energy: -15.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -202.383752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.383752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.383752 (E_RNA) where: Base-Base interactions energy: -144.663 where: short stacking energy: -67.249 Base-Backbone interact. energy: -1.200 local terms energy: -56.521136 where: bonds (distance) C4'-P energy: -13.049 bonds (distance) P-C4' energy: -13.522 flat angles C4'-P-C4' energy: -15.917 flat angles P-C4'-P energy: -0.610 tors. eta vs tors. theta energy: -13.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -203.081638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.081638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.081638 (E_RNA) where: Base-Base interactions energy: -136.878 where: short stacking energy: -65.787 Base-Backbone interact. energy: -0.324 local terms energy: -65.880002 where: bonds (distance) C4'-P energy: -13.076 bonds (distance) P-C4' energy: -13.808 flat angles C4'-P-C4' energy: -17.666 flat angles P-C4'-P energy: -11.054 tors. eta vs tors. theta energy: -10.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -191.764513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.764513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.764513 (E_RNA) where: Base-Base interactions energy: -121.364 where: short stacking energy: -60.213 Base-Backbone interact. energy: -0.057 local terms energy: -70.343620 where: bonds (distance) C4'-P energy: -13.686 bonds (distance) P-C4' energy: -18.956 flat angles C4'-P-C4' energy: -18.505 flat angles P-C4'-P energy: -8.389 tors. eta vs tors. theta energy: -10.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -293.697588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.697588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.697588 (E_RNA) where: Base-Base interactions energy: -200.150 where: short stacking energy: -92.518 Base-Backbone interact. energy: -3.102 local terms energy: -90.446041 where: bonds (distance) C4'-P energy: -17.833 bonds (distance) P-C4' energy: -18.746 flat angles C4'-P-C4' energy: -19.276 flat angles P-C4'-P energy: -10.619 tors. eta vs tors. theta energy: -23.972 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: 6 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -278.880403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.880403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.880403 (E_RNA) where: Base-Base interactions energy: -189.645 where: short stacking energy: -85.575 Base-Backbone interact. energy: -1.199 local terms energy: -88.036153 where: bonds (distance) C4'-P energy: -15.538 bonds (distance) P-C4' energy: -19.073 flat angles C4'-P-C4' energy: -19.125 flat angles P-C4'-P energy: -10.358 tors. eta vs tors. theta energy: -23.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -280.306722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.306722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.306722 (E_RNA) where: Base-Base interactions energy: -203.628 where: short stacking energy: -88.660 Base-Backbone interact. energy: -1.547 local terms energy: -75.131842 where: bonds (distance) C4'-P energy: -13.017 bonds (distance) P-C4' energy: -13.758 flat angles C4'-P-C4' energy: -20.304 flat angles P-C4'-P energy: -6.969 tors. eta vs tors. theta energy: -21.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -250.310241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.310241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.310241 (E_RNA) where: Base-Base interactions energy: -168.569 where: short stacking energy: -84.466 Base-Backbone interact. energy: -0.298 local terms energy: -81.443323 where: bonds (distance) C4'-P energy: -19.576 bonds (distance) P-C4' energy: -11.935 flat angles C4'-P-C4' energy: -18.837 flat angles P-C4'-P energy: -10.297 tors. eta vs tors. theta energy: -20.798 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: 5 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -251.909642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.909642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.909642 (E_RNA) where: Base-Base interactions energy: -168.019 where: short stacking energy: -88.050 Base-Backbone interact. energy: 2.281 local terms energy: -86.171644 where: bonds (distance) C4'-P energy: -16.948 bonds (distance) P-C4' energy: -13.487 flat angles C4'-P-C4' energy: -19.637 flat angles P-C4'-P energy: -14.358 tors. eta vs tors. theta energy: -21.741 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: 2 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -222.078741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.078741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.078741 (E_RNA) where: Base-Base interactions energy: -150.393 where: short stacking energy: -75.363 Base-Backbone interact. energy: -0.735 local terms energy: -70.950408 where: bonds (distance) C4'-P energy: -10.655 bonds (distance) P-C4' energy: -16.562 flat angles C4'-P-C4' energy: -17.763 flat angles P-C4'-P energy: -9.937 tors. eta vs tors. theta energy: -16.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -216.826034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.826034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.826034 (E_RNA) where: Base-Base interactions energy: -145.862 where: short stacking energy: -66.837 Base-Backbone interact. energy: -0.144 local terms energy: -70.819715 where: bonds (distance) C4'-P energy: -15.858 bonds (distance) P-C4' energy: -13.334 flat angles C4'-P-C4' energy: -17.046 flat angles P-C4'-P energy: -11.048 tors. eta vs tors. theta energy: -13.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -205.893602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.893602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.893602 (E_RNA) where: Base-Base interactions energy: -143.413 where: short stacking energy: -62.567 Base-Backbone interact. energy: -0.088 local terms energy: -62.392423 where: bonds (distance) C4'-P energy: -11.085 bonds (distance) P-C4' energy: -15.611 flat angles C4'-P-C4' energy: -14.372 flat angles P-C4'-P energy: -5.510 tors. eta vs tors. theta energy: -15.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -209.650879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.650879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.650879 (E_RNA) where: Base-Base interactions energy: -145.243 where: short stacking energy: -69.546 Base-Backbone interact. energy: -0.052 local terms energy: -64.355723 where: bonds (distance) C4'-P energy: -9.968 bonds (distance) P-C4' energy: -16.202 flat angles C4'-P-C4' energy: -16.717 flat angles P-C4'-P energy: -4.505 tors. eta vs tors. theta energy: -16.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -199.045184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.045184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.045184 (E_RNA) where: Base-Base interactions energy: -131.697 where: short stacking energy: -55.125 Base-Backbone interact. energy: -1.537 local terms energy: -65.811437 where: bonds (distance) C4'-P energy: -13.880 bonds (distance) P-C4' energy: -14.167 flat angles C4'-P-C4' energy: -16.044 flat angles P-C4'-P energy: -9.187 tors. eta vs tors. theta energy: -12.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -289.340182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.340182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.340182 (E_RNA) where: Base-Base interactions energy: -207.983 where: short stacking energy: -91.945 Base-Backbone interact. energy: -1.282 local terms energy: -80.075301 where: bonds (distance) C4'-P energy: -16.335 bonds (distance) P-C4' energy: -15.811 flat angles C4'-P-C4' energy: -13.890 flat angles P-C4'-P energy: -11.889 tors. eta vs tors. theta energy: -22.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -274.935519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.935519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.935519 (E_RNA) where: Base-Base interactions energy: -191.999 where: short stacking energy: -93.385 Base-Backbone interact. energy: -1.051 local terms energy: -81.886039 where: bonds (distance) C4'-P energy: -14.592 bonds (distance) P-C4' energy: -18.523 flat angles C4'-P-C4' energy: -17.131 flat angles P-C4'-P energy: -11.111 tors. eta vs tors. theta energy: -20.530 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: 7 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -284.906325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.906325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.906325 (E_RNA) where: Base-Base interactions energy: -203.793 where: short stacking energy: -86.199 Base-Backbone interact. energy: -0.055 local terms energy: -81.057729 where: bonds (distance) C4'-P energy: -14.603 bonds (distance) P-C4' energy: -15.359 flat angles C4'-P-C4' energy: -20.477 flat angles P-C4'-P energy: -10.673 tors. eta vs tors. theta energy: -19.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -242.862151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.862151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.862151 (E_RNA) where: Base-Base interactions energy: -166.794 where: short stacking energy: -71.645 Base-Backbone interact. energy: -1.351 local terms energy: -74.716318 where: bonds (distance) C4'-P energy: -16.264 bonds (distance) P-C4' energy: -8.406 flat angles C4'-P-C4' energy: -15.469 flat angles P-C4'-P energy: -14.206 tors. eta vs tors. theta energy: -20.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -231.995430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.995430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.995430 (E_RNA) where: Base-Base interactions energy: -158.670 where: short stacking energy: -80.459 Base-Backbone interact. energy: -0.413 local terms energy: -72.912495 where: bonds (distance) C4'-P energy: -15.689 bonds (distance) P-C4' energy: -15.033 flat angles C4'-P-C4' energy: -10.988 flat angles P-C4'-P energy: -11.243 tors. eta vs tors. theta energy: -19.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -222.524063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.524063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.524063 (E_RNA) where: Base-Base interactions energy: -154.992 where: short stacking energy: -77.685 Base-Backbone interact. energy: -0.864 local terms energy: -66.668307 where: bonds (distance) C4'-P energy: -12.475 bonds (distance) P-C4' energy: -11.404 flat angles C4'-P-C4' energy: -17.442 flat angles P-C4'-P energy: -9.724 tors. eta vs tors. theta energy: -15.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -203.868803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.868803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.868803 (E_RNA) where: Base-Base interactions energy: -135.890 where: short stacking energy: -65.225 Base-Backbone interact. energy: -0.144 local terms energy: -67.834529 where: bonds (distance) C4'-P energy: -13.746 bonds (distance) P-C4' energy: -17.042 flat angles C4'-P-C4' energy: -16.850 flat angles P-C4'-P energy: -6.452 tors. eta vs tors. theta energy: -13.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -213.496675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.496675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.496675 (E_RNA) where: Base-Base interactions energy: -134.008 where: short stacking energy: -63.143 Base-Backbone interact. energy: -0.047 local terms energy: -79.442169 where: bonds (distance) C4'-P energy: -12.770 bonds (distance) P-C4' energy: -17.709 flat angles C4'-P-C4' energy: -20.148 flat angles P-C4'-P energy: -14.555 tors. eta vs tors. theta energy: -14.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -194.032761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.032761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.032761 (E_RNA) where: Base-Base interactions energy: -132.178 where: short stacking energy: -57.606 Base-Backbone interact. energy: -0.157 local terms energy: -61.697479 where: bonds (distance) C4'-P energy: -13.479 bonds (distance) P-C4' energy: -14.706 flat angles C4'-P-C4' energy: -12.203 flat angles P-C4'-P energy: -13.101 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: 10, replica: 10 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -194.310947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.310947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.310947 (E_RNA) where: Base-Base interactions energy: -127.641 where: short stacking energy: -56.766 Base-Backbone interact. energy: -0.101 local terms energy: -66.569308 where: bonds (distance) C4'-P energy: -18.942 bonds (distance) P-C4' energy: -12.504 flat angles C4'-P-C4' energy: -10.342 flat angles P-C4'-P energy: -9.507 tors. eta vs tors. theta energy: -15.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -280.513312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.513312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.513312 (E_RNA) where: Base-Base interactions energy: -195.958 where: short stacking energy: -83.370 Base-Backbone interact. energy: -1.574 local terms energy: -82.980583 where: bonds (distance) C4'-P energy: -18.268 bonds (distance) P-C4' energy: -16.442 flat angles C4'-P-C4' energy: -16.700 flat angles P-C4'-P energy: -14.297 tors. eta vs tors. theta energy: -17.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -271.088797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.088797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.088797 (E_RNA) where: Base-Base interactions energy: -192.443 where: short stacking energy: -79.705 Base-Backbone interact. energy: -1.373 local terms energy: -77.273398 where: bonds (distance) C4'-P energy: -14.992 bonds (distance) P-C4' energy: -18.097 flat angles C4'-P-C4' energy: -17.286 flat angles P-C4'-P energy: -6.990 tors. eta vs tors. theta energy: -19.909 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: 249 Temperature: 1.000000 Total energy: -278.685640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.685640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.685640 (E_RNA) where: Base-Base interactions energy: -197.112 where: short stacking energy: -80.001 Base-Backbone interact. energy: -0.794 local terms energy: -80.779578 where: bonds (distance) C4'-P energy: -17.209 bonds (distance) P-C4' energy: -17.037 flat angles C4'-P-C4' energy: -17.313 flat angles P-C4'-P energy: -11.637 tors. eta vs tors. theta energy: -17.584 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: 9 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -247.042849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.042849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.042849 (E_RNA) where: Base-Base interactions energy: -167.902 where: short stacking energy: -85.900 Base-Backbone interact. energy: -0.322 local terms energy: -78.818912 where: bonds (distance) C4'-P energy: -17.780 bonds (distance) P-C4' energy: -18.315 flat angles C4'-P-C4' energy: -14.685 flat angles P-C4'-P energy: -5.094 tors. eta vs tors. theta energy: -22.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -248.595151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.595151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.595151 (E_RNA) where: Base-Base interactions energy: -172.973 where: short stacking energy: -79.087 Base-Backbone interact. energy: -0.271 local terms energy: -75.350584 where: bonds (distance) C4'-P energy: -14.785 bonds (distance) P-C4' energy: -14.786 flat angles C4'-P-C4' energy: -19.254 flat angles P-C4'-P energy: -9.588 tors. eta vs tors. theta energy: -16.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -213.059376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.059376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.059376 (E_RNA) where: Base-Base interactions energy: -138.770 where: short stacking energy: -72.322 Base-Backbone interact. energy: 0.596 local terms energy: -74.886041 where: bonds (distance) C4'-P energy: -16.032 bonds (distance) P-C4' energy: -15.678 flat angles C4'-P-C4' energy: -15.867 flat angles P-C4'-P energy: -9.563 tors. eta vs tors. theta energy: -17.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -205.497203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.497203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.497203 (E_RNA) where: Base-Base interactions energy: -131.123 where: short stacking energy: -54.380 Base-Backbone interact. energy: 0.342 local terms energy: -74.715359 where: bonds (distance) C4'-P energy: -14.903 bonds (distance) P-C4' energy: -18.574 flat angles C4'-P-C4' energy: -15.098 flat angles P-C4'-P energy: -14.547 tors. eta vs tors. theta energy: -11.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -229.305589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.305589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.305589 (E_RNA) where: Base-Base interactions energy: -156.545 where: short stacking energy: -82.699 Base-Backbone interact. energy: -0.724 local terms energy: -72.036746 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -13.844 flat angles C4'-P-C4' energy: -18.236 flat angles P-C4'-P energy: -9.398 tors. eta vs tors. theta energy: -22.047 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: 4 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -205.809102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.809102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.809102 (E_RNA) where: Base-Base interactions energy: -143.122 where: short stacking energy: -65.014 Base-Backbone interact. energy: 1.370 local terms energy: -64.056858 where: bonds (distance) C4'-P energy: -17.216 bonds (distance) P-C4' energy: -10.878 flat angles C4'-P-C4' energy: -14.303 flat angles P-C4'-P energy: -8.513 tors. eta vs tors. theta energy: -13.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -201.736526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.736526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.736526 (E_RNA) where: Base-Base interactions energy: -139.355 where: short stacking energy: -64.357 Base-Backbone interact. energy: -1.107 local terms energy: -61.274256 where: bonds (distance) C4'-P energy: -11.432 bonds (distance) P-C4' energy: -8.067 flat angles C4'-P-C4' energy: -17.140 flat angles P-C4'-P energy: -9.586 tors. eta vs tors. theta energy: -15.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -291.543603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.543603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.543603 (E_RNA) where: Base-Base interactions energy: -203.004 where: short stacking energy: -89.871 Base-Backbone interact. energy: -2.740 local terms energy: -85.800282 where: bonds (distance) C4'-P energy: -15.445 bonds (distance) P-C4' energy: -19.912 flat angles C4'-P-C4' energy: -17.584 flat angles P-C4'-P energy: -9.175 tors. eta vs tors. theta energy: -23.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -284.735296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.735296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.735296 (E_RNA) where: Base-Base interactions energy: -197.356 where: short stacking energy: -82.546 Base-Backbone interact. energy: -0.621 local terms energy: -86.758597 where: bonds (distance) C4'-P energy: -15.683 bonds (distance) P-C4' energy: -14.158 flat angles C4'-P-C4' energy: -20.153 flat angles P-C4'-P energy: -13.020 tors. eta vs tors. theta energy: -23.745 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: 6 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -284.699611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.699611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.699611 (E_RNA) where: Base-Base interactions energy: -205.071 where: short stacking energy: -90.965 Base-Backbone interact. energy: -1.349 local terms energy: -78.280319 where: bonds (distance) C4'-P energy: -16.605 bonds (distance) P-C4' energy: -11.577 flat angles C4'-P-C4' energy: -20.557 flat angles P-C4'-P energy: -8.648 tors. eta vs tors. theta energy: -20.893 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: 9 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -244.022689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.022689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.022689 (E_RNA) where: Base-Base interactions energy: -168.708 where: short stacking energy: -84.205 Base-Backbone interact. energy: -0.006 local terms energy: -75.308687 where: bonds (distance) C4'-P energy: -14.823 bonds (distance) P-C4' energy: -15.843 flat angles C4'-P-C4' energy: -17.449 flat angles P-C4'-P energy: -8.391 tors. eta vs tors. theta energy: -18.803 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: 5 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -246.391732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.391732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.391732 (E_RNA) where: Base-Base interactions energy: -171.774 where: short stacking energy: -77.660 Base-Backbone interact. energy: -0.602 local terms energy: -74.016227 where: bonds (distance) C4'-P energy: -16.197 bonds (distance) P-C4' energy: -14.553 flat angles C4'-P-C4' energy: -18.115 flat angles P-C4'-P energy: -8.526 tors. eta vs tors. theta energy: -16.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -212.576825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.576825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.576825 (E_RNA) where: Base-Base interactions energy: -150.742 where: short stacking energy: -72.994 Base-Backbone interact. energy: -1.146 local terms energy: -60.689076 where: bonds (distance) C4'-P energy: -16.542 bonds (distance) P-C4' energy: -16.071 flat angles C4'-P-C4' energy: -10.233 flat angles P-C4'-P energy: -3.110 tors. eta vs tors. theta energy: -14.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -214.119444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.119444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.119444 (E_RNA) where: Base-Base interactions energy: -138.866 where: short stacking energy: -61.217 Base-Backbone interact. energy: -0.111 local terms energy: -75.142526 where: bonds (distance) C4'-P energy: -14.737 bonds (distance) P-C4' energy: -17.904 flat angles C4'-P-C4' energy: -16.682 flat angles P-C4'-P energy: -8.901 tors. eta vs tors. theta energy: -16.919 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: 2 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -216.803687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.803687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.803687 (E_RNA) where: Base-Base interactions energy: -145.387 where: short stacking energy: -68.851 Base-Backbone interact. energy: 0.214 local terms energy: -71.630700 where: bonds (distance) C4'-P energy: -14.405 bonds (distance) P-C4' energy: -13.262 flat angles C4'-P-C4' energy: -17.534 flat angles P-C4'-P energy: -10.526 tors. eta vs tors. theta energy: -15.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -202.040563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.040563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.040563 (E_RNA) where: Base-Base interactions energy: -136.121 where: short stacking energy: -65.226 Base-Backbone interact. energy: -0.994 local terms energy: -64.925621 where: bonds (distance) C4'-P energy: -13.870 bonds (distance) P-C4' energy: -17.962 flat angles C4'-P-C4' energy: -14.104 flat angles P-C4'-P energy: -4.519 tors. eta vs tors. theta energy: -14.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -194.591269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.591269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.591269 (E_RNA) where: Base-Base interactions energy: -136.258 where: short stacking energy: -64.244 Base-Backbone interact. energy: 0.025 local terms energy: -58.358277 where: bonds (distance) C4'-P energy: -10.207 bonds (distance) P-C4' energy: -19.420 flat angles C4'-P-C4' energy: -13.957 flat angles P-C4'-P energy: -1.189 tors. eta vs tors. theta energy: -13.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -288.096004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.096004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.096004 (E_RNA) where: Base-Base interactions energy: -203.723 where: short stacking energy: -89.721 Base-Backbone interact. energy: -1.055 local terms energy: -83.317638 where: bonds (distance) C4'-P energy: -15.349 bonds (distance) P-C4' energy: -20.383 flat angles C4'-P-C4' energy: -18.448 flat angles P-C4'-P energy: -8.484 tors. eta vs tors. theta energy: -20.654 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: 6 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -283.771481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.771481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.771481 (E_RNA) where: Base-Base interactions energy: -200.513 where: short stacking energy: -85.895 Base-Backbone interact. energy: 0.162 local terms energy: -83.420582 where: bonds (distance) C4'-P energy: -16.968 bonds (distance) P-C4' energy: -21.022 flat angles C4'-P-C4' energy: -20.037 flat angles P-C4'-P energy: -7.379 tors. eta vs tors. theta energy: -18.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -272.819358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.819358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.819358 (E_RNA) where: Base-Base interactions energy: -192.806 where: short stacking energy: -89.020 Base-Backbone interact. energy: -1.029 local terms energy: -78.983505 where: bonds (distance) C4'-P energy: -15.718 bonds (distance) P-C4' energy: -14.402 flat angles C4'-P-C4' energy: -13.875 flat angles P-C4'-P energy: -12.033 tors. eta vs tors. theta energy: -22.955 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: 9 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -241.865919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.865919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.865919 (E_RNA) where: Base-Base interactions energy: -156.702 where: short stacking energy: -75.104 Base-Backbone interact. energy: -0.061 local terms energy: -85.103350 where: bonds (distance) C4'-P energy: -16.689 bonds (distance) P-C4' energy: -19.976 flat angles C4'-P-C4' energy: -16.307 flat angles P-C4'-P energy: -13.757 tors. eta vs tors. theta energy: -18.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -225.318803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.318803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.318803 (E_RNA) where: Base-Base interactions energy: -153.620 where: short stacking energy: -78.931 Base-Backbone interact. energy: 1.010 local terms energy: -72.708836 where: bonds (distance) C4'-P energy: -16.910 bonds (distance) P-C4' energy: -18.333 flat angles C4'-P-C4' energy: -9.580 flat angles P-C4'-P energy: -10.899 tors. eta vs tors. theta energy: -16.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -227.160285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.160285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.160285 (E_RNA) where: Base-Base interactions energy: -151.410 where: short stacking energy: -68.355 Base-Backbone interact. energy: -0.000 local terms energy: -75.749939 where: bonds (distance) C4'-P energy: -13.002 bonds (distance) P-C4' energy: -16.582 flat angles C4'-P-C4' energy: -15.526 flat angles P-C4'-P energy: -9.977 tors. eta vs tors. theta energy: -20.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -209.498572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.498572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.498572 (E_RNA) where: Base-Base interactions energy: -132.257 where: short stacking energy: -53.386 Base-Backbone interact. energy: -0.518 local terms energy: -76.724167 where: bonds (distance) C4'-P energy: -17.792 bonds (distance) P-C4' energy: -18.562 flat angles C4'-P-C4' energy: -17.396 flat angles P-C4'-P energy: -11.554 tors. eta vs tors. theta energy: -11.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -215.417299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.417299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.417299 (E_RNA) where: Base-Base interactions energy: -141.587 where: short stacking energy: -58.894 Base-Backbone interact. energy: -0.010 local terms energy: -73.820105 where: bonds (distance) C4'-P energy: -14.124 bonds (distance) P-C4' energy: -17.776 flat angles C4'-P-C4' energy: -16.654 flat angles P-C4'-P energy: -11.427 tors. eta vs tors. theta energy: -13.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -196.557305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.557305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.557305 (E_RNA) where: Base-Base interactions energy: -130.289 where: short stacking energy: -62.476 Base-Backbone interact. energy: -0.093 local terms energy: -66.175625 where: bonds (distance) C4'-P energy: -14.232 bonds (distance) P-C4' energy: -16.402 flat angles C4'-P-C4' energy: -15.139 flat angles P-C4'-P energy: -9.386 tors. eta vs tors. theta energy: -11.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -205.351597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.351597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.351597 (E_RNA) where: Base-Base interactions energy: -140.119 where: short stacking energy: -64.913 Base-Backbone interact. energy: 0.287 local terms energy: -65.520435 where: bonds (distance) C4'-P energy: -13.830 bonds (distance) P-C4' energy: -11.436 flat angles C4'-P-C4' energy: -16.221 flat angles P-C4'-P energy: -11.850 tors. eta vs tors. theta energy: -12.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -286.591544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.591544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.591544 (E_RNA) where: Base-Base interactions energy: -199.834 where: short stacking energy: -86.492 Base-Backbone interact. energy: -0.296 local terms energy: -86.461010 where: bonds (distance) C4'-P energy: -18.132 bonds (distance) P-C4' energy: -18.337 flat angles C4'-P-C4' energy: -19.333 flat angles P-C4'-P energy: -11.491 tors. eta vs tors. theta energy: -19.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -287.715372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.715372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.715372 (E_RNA) where: Base-Base interactions energy: -205.553 where: short stacking energy: -90.111 Base-Backbone interact. energy: 0.502 local terms energy: -82.664192 where: bonds (distance) C4'-P energy: -14.903 bonds (distance) P-C4' energy: -19.614 flat angles C4'-P-C4' energy: -17.287 flat angles P-C4'-P energy: -8.795 tors. eta vs tors. theta energy: -22.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -248.557871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.557871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.557871 (E_RNA) where: Base-Base interactions energy: -170.305 where: short stacking energy: -86.171 Base-Backbone interact. energy: -0.094 local terms energy: -78.159278 where: bonds (distance) C4'-P energy: -15.829 bonds (distance) P-C4' energy: -17.276 flat angles C4'-P-C4' energy: -17.100 flat angles P-C4'-P energy: -6.922 tors. eta vs tors. theta energy: -21.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -280.720168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.720168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.720168 (E_RNA) where: Base-Base interactions energy: -202.788 where: short stacking energy: -93.229 Base-Backbone interact. energy: 0.104 local terms energy: -78.036371 where: bonds (distance) C4'-P energy: -9.793 bonds (distance) P-C4' energy: -17.906 flat angles C4'-P-C4' energy: -19.090 flat angles P-C4'-P energy: -10.786 tors. eta vs tors. theta energy: -20.460 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: 8 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -240.538908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.538908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.538908 (E_RNA) where: Base-Base interactions energy: -165.896 where: short stacking energy: -77.933 Base-Backbone interact. energy: -0.953 local terms energy: -73.690385 where: bonds (distance) C4'-P energy: -14.557 bonds (distance) P-C4' energy: -13.038 flat angles C4'-P-C4' energy: -15.754 flat angles P-C4'-P energy: -9.722 tors. eta vs tors. theta energy: -20.619 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: 252 Temperature: 1.150000 Total energy: -222.078597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.078597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.078597 (E_RNA) where: Base-Base interactions energy: -147.259 where: short stacking energy: -67.353 Base-Backbone interact. energy: 0.966 local terms energy: -75.785610 where: bonds (distance) C4'-P energy: -16.773 bonds (distance) P-C4' energy: -20.120 flat angles C4'-P-C4' energy: -17.080 flat angles P-C4'-P energy: -6.995 tors. eta vs tors. theta energy: -14.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -209.418144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.418144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.418144 (E_RNA) where: Base-Base interactions energy: -144.036 where: short stacking energy: -72.977 Base-Backbone interact. energy: -0.117 local terms energy: -65.265399 where: bonds (distance) C4'-P energy: -14.508 bonds (distance) P-C4' energy: -12.574 flat angles C4'-P-C4' energy: -17.457 flat angles P-C4'-P energy: -8.260 tors. eta vs tors. theta energy: -12.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -204.421898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.421898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.421898 (E_RNA) where: Base-Base interactions energy: -134.402 where: short stacking energy: -66.628 Base-Backbone interact. energy: -0.837 local terms energy: -69.183279 where: bonds (distance) C4'-P energy: -12.854 bonds (distance) P-C4' energy: -12.571 flat angles C4'-P-C4' energy: -16.830 flat angles P-C4'-P energy: -8.680 tors. eta vs tors. theta energy: -18.248 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: 10 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -199.187904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.187904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.187904 (E_RNA) where: Base-Base interactions energy: -138.167 where: short stacking energy: -63.611 Base-Backbone interact. energy: -0.057 local terms energy: -60.964780 where: bonds (distance) C4'-P energy: -9.314 bonds (distance) P-C4' energy: -19.243 flat angles C4'-P-C4' energy: -10.641 flat angles P-C4'-P energy: -8.667 tors. eta vs tors. theta energy: -13.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -203.362354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.362354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.362354 (E_RNA) where: Base-Base interactions energy: -135.139 where: short stacking energy: -60.496 Base-Backbone interact. energy: -0.859 local terms energy: -67.364156 where: bonds (distance) C4'-P energy: -9.370 bonds (distance) P-C4' energy: -16.990 flat angles C4'-P-C4' energy: -15.955 flat angles P-C4'-P energy: -11.569 tors. eta vs tors. theta energy: -13.480 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: 253 Temperature: 0.900000 Total energy: -284.234336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.234336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.234336 (E_RNA) where: Base-Base interactions energy: -207.294 where: short stacking energy: -87.527 Base-Backbone interact. energy: -0.059 local terms energy: -76.880650 where: bonds (distance) C4'-P energy: -17.849 bonds (distance) P-C4' energy: -14.044 flat angles C4'-P-C4' energy: -14.092 flat angles P-C4'-P energy: -8.773 tors. eta vs tors. theta energy: -22.123 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: 7 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -289.538909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.538909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.538909 (E_RNA) where: Base-Base interactions energy: -206.546 where: short stacking energy: -90.600 Base-Backbone interact. energy: 2.091 local terms energy: -85.083527 where: bonds (distance) C4'-P energy: -16.041 bonds (distance) P-C4' energy: -18.517 flat angles C4'-P-C4' energy: -18.359 flat angles P-C4'-P energy: -12.011 tors. eta vs tors. theta energy: -20.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -251.842622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.842622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.842622 (E_RNA) where: Base-Base interactions energy: -169.510 where: short stacking energy: -79.672 Base-Backbone interact. energy: -0.784 local terms energy: -81.549304 where: bonds (distance) C4'-P energy: -15.681 bonds (distance) P-C4' energy: -20.408 flat angles C4'-P-C4' energy: -16.047 flat angles P-C4'-P energy: -8.726 tors. eta vs tors. theta energy: -20.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -273.114951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.114951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.114951 (E_RNA) where: Base-Base interactions energy: -197.658 where: short stacking energy: -84.024 Base-Backbone interact. energy: -0.251 local terms energy: -75.205966 where: bonds (distance) C4'-P energy: -14.774 bonds (distance) P-C4' energy: -17.392 flat angles C4'-P-C4' energy: -17.568 flat angles P-C4'-P energy: -8.770 tors. eta vs tors. theta energy: -16.701 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: 253 Temperature: 1.100000 Total energy: -229.749561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.749561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.749561 (E_RNA) where: Base-Base interactions energy: -149.054 where: short stacking energy: -69.908 Base-Backbone interact. energy: -0.552 local terms energy: -80.143529 where: bonds (distance) C4'-P energy: -14.160 bonds (distance) P-C4' energy: -18.426 flat angles C4'-P-C4' energy: -17.231 flat angles P-C4'-P energy: -14.752 tors. eta vs tors. theta energy: -15.575 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: 4 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -227.987602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.987602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.987602 (E_RNA) where: Base-Base interactions energy: -147.837 where: short stacking energy: -71.592 Base-Backbone interact. energy: -0.578 local terms energy: -79.572552 where: bonds (distance) C4'-P energy: -14.008 bonds (distance) P-C4' energy: -16.568 flat angles C4'-P-C4' energy: -17.287 flat angles P-C4'-P energy: -13.568 tors. eta vs tors. theta energy: -18.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -223.287369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.287369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.287369 (E_RNA) where: Base-Base interactions energy: -147.565 where: short stacking energy: -77.321 Base-Backbone interact. energy: -1.152 local terms energy: -74.570516 where: bonds (distance) C4'-P energy: -16.164 bonds (distance) P-C4' energy: -14.289 flat angles C4'-P-C4' energy: -13.479 flat angles P-C4'-P energy: -10.718 tors. eta vs tors. theta energy: -19.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -204.491796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.491796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.491796 (E_RNA) where: Base-Base interactions energy: -134.055 where: short stacking energy: -55.476 Base-Backbone interact. energy: -0.475 local terms energy: -69.961723 where: bonds (distance) C4'-P energy: -14.214 bonds (distance) P-C4' energy: -16.692 flat angles C4'-P-C4' energy: -13.998 flat angles P-C4'-P energy: -13.280 tors. eta vs tors. theta energy: -11.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -220.257360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.257360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.257360 (E_RNA) where: Base-Base interactions energy: -148.982 where: short stacking energy: -70.743 Base-Backbone interact. energy: -0.317 local terms energy: -70.958103 where: bonds (distance) C4'-P energy: -15.651 bonds (distance) P-C4' energy: -18.153 flat angles C4'-P-C4' energy: -14.595 flat angles P-C4'-P energy: -8.800 tors. eta vs tors. theta energy: -13.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -199.476733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.476733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.476733 (E_RNA) where: Base-Base interactions energy: -127.268 where: short stacking energy: -48.361 Base-Backbone interact. energy: -0.840 local terms energy: -71.368839 where: bonds (distance) C4'-P energy: -14.011 bonds (distance) P-C4' energy: -15.270 flat angles C4'-P-C4' energy: -16.329 flat angles P-C4'-P energy: -12.432 tors. eta vs tors. theta energy: -13.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -289.021899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.021899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.021899 (E_RNA) where: Base-Base interactions energy: -202.899 where: short stacking energy: -90.453 Base-Backbone interact. energy: -1.447 local terms energy: -84.676871 where: bonds (distance) C4'-P energy: -16.259 bonds (distance) P-C4' energy: -17.759 flat angles C4'-P-C4' energy: -18.264 flat angles P-C4'-P energy: -8.763 tors. eta vs tors. theta energy: -23.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -275.390409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.390409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.390409 (E_RNA) where: Base-Base interactions energy: -196.961 where: short stacking energy: -84.146 Base-Backbone interact. energy: -0.939 local terms energy: -77.491027 where: bonds (distance) C4'-P energy: -17.328 bonds (distance) P-C4' energy: -12.152 flat angles C4'-P-C4' energy: -14.244 flat angles P-C4'-P energy: -12.800 tors. eta vs tors. theta energy: -20.967 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: 3, replica: 3 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -278.074508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.074508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.074508 (E_RNA) where: Base-Base interactions energy: -191.944 where: short stacking energy: -76.932 Base-Backbone interact. energy: -1.286 local terms energy: -84.844301 where: bonds (distance) C4'-P energy: -18.434 bonds (distance) P-C4' energy: -16.811 flat angles C4'-P-C4' energy: -19.961 flat angles P-C4'-P energy: -8.597 tors. eta vs tors. theta energy: -21.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -256.087385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.087385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.087385 (E_RNA) where: Base-Base interactions energy: -177.718 where: short stacking energy: -87.951 Base-Backbone interact. energy: -0.385 local terms energy: -77.984116 where: bonds (distance) C4'-P energy: -13.296 bonds (distance) P-C4' energy: -15.023 flat angles C4'-P-C4' energy: -17.304 flat angles P-C4'-P energy: -8.416 tors. eta vs tors. theta energy: -23.945 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: 8 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -250.593082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.593082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.593082 (E_RNA) where: Base-Base interactions energy: -166.637 where: short stacking energy: -79.810 Base-Backbone interact. energy: -0.049 local terms energy: -83.906901 where: bonds (distance) C4'-P energy: -17.836 bonds (distance) P-C4' energy: -17.267 flat angles C4'-P-C4' energy: -18.928 flat angles P-C4'-P energy: -9.455 tors. eta vs tors. theta energy: -20.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -219.158313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.158313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.158313 (E_RNA) where: Base-Base interactions energy: -152.225 where: short stacking energy: -75.345 Base-Backbone interact. energy: 1.103 local terms energy: -68.036220 where: bonds (distance) C4'-P energy: -13.296 bonds (distance) P-C4' energy: -15.397 flat angles C4'-P-C4' energy: -17.078 flat angles P-C4'-P energy: -7.446 tors. eta vs tors. theta energy: -14.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -220.304814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.304814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.304814 (E_RNA) where: Base-Base interactions energy: -160.395 where: short stacking energy: -75.577 Base-Backbone interact. energy: -0.145 local terms energy: -59.764743 where: bonds (distance) C4'-P energy: -11.540 bonds (distance) P-C4' energy: -15.039 flat angles C4'-P-C4' energy: -10.623 flat angles P-C4'-P energy: -5.028 tors. eta vs tors. theta energy: -17.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -206.858584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.858584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.858584 (E_RNA) where: Base-Base interactions energy: -133.627 where: short stacking energy: -54.603 Base-Backbone interact. energy: -0.201 local terms energy: -73.030644 where: bonds (distance) C4'-P energy: -17.753 bonds (distance) P-C4' energy: -16.459 flat angles C4'-P-C4' energy: -19.268 flat angles P-C4'-P energy: -9.929 tors. eta vs tors. theta energy: -9.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -192.338337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.338337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.338337 (E_RNA) where: Base-Base interactions energy: -129.008 where: short stacking energy: -69.111 Base-Backbone interact. energy: -0.360 local terms energy: -62.970177 where: bonds (distance) C4'-P energy: -9.744 bonds (distance) P-C4' energy: -17.270 flat angles C4'-P-C4' energy: -16.023 flat angles P-C4'-P energy: -9.181 tors. eta vs tors. theta energy: -10.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -210.869401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.869401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.869401 (E_RNA) where: Base-Base interactions energy: -151.542 where: short stacking energy: -64.537 Base-Backbone interact. energy: -0.227 local terms energy: -59.100879 where: bonds (distance) C4'-P energy: -14.402 bonds (distance) P-C4' energy: -15.568 flat angles C4'-P-C4' energy: -8.371 flat angles P-C4'-P energy: -8.228 tors. eta vs tors. theta energy: -12.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -271.946319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.946319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.946319 (E_RNA) where: Base-Base interactions energy: -192.687 where: short stacking energy: -83.583 Base-Backbone interact. energy: -0.466 local terms energy: -78.793143 where: bonds (distance) C4'-P energy: -16.649 bonds (distance) P-C4' energy: -19.849 flat angles C4'-P-C4' energy: -15.406 flat angles P-C4'-P energy: -9.099 tors. eta vs tors. theta energy: -17.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -294.229400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.229400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.229400 (E_RNA) where: Base-Base interactions energy: -203.658 where: short stacking energy: -89.822 Base-Backbone interact. energy: -0.215 local terms energy: -90.356358 where: bonds (distance) C4'-P energy: -19.634 bonds (distance) P-C4' energy: -20.177 flat angles C4'-P-C4' energy: -15.757 flat angles P-C4'-P energy: -11.670 tors. eta vs tors. theta energy: -23.119 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: 3 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -268.539356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.539356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.539356 (E_RNA) where: Base-Base interactions energy: -190.051 where: short stacking energy: -76.379 Base-Backbone interact. energy: -1.819 local terms energy: -76.668856 where: bonds (distance) C4'-P energy: -17.133 bonds (distance) P-C4' energy: -18.940 flat angles C4'-P-C4' energy: -16.171 flat angles P-C4'-P energy: -6.334 tors. eta vs tors. theta energy: -18.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -255.944060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.944060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.944060 (E_RNA) where: Base-Base interactions energy: -172.012 where: short stacking energy: -88.789 Base-Backbone interact. energy: -0.227 local terms energy: -83.705339 where: bonds (distance) C4'-P energy: -15.978 bonds (distance) P-C4' energy: -19.218 flat angles C4'-P-C4' energy: -15.977 flat angles P-C4'-P energy: -10.618 tors. eta vs tors. theta energy: -21.914 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: 8 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -232.602065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.602065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.602065 (E_RNA) where: Base-Base interactions energy: -151.406 where: short stacking energy: -77.064 Base-Backbone interact. energy: -0.345 local terms energy: -80.851233 where: bonds (distance) C4'-P energy: -14.831 bonds (distance) P-C4' energy: -20.187 flat angles C4'-P-C4' energy: -15.552 flat angles P-C4'-P energy: -14.366 tors. eta vs tors. theta energy: -15.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -220.875671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.875671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.875671 (E_RNA) where: Base-Base interactions energy: -150.084 where: short stacking energy: -71.603 Base-Backbone interact. energy: -0.095 local terms energy: -70.696006 where: bonds (distance) C4'-P energy: -17.514 bonds (distance) P-C4' energy: -14.546 flat angles C4'-P-C4' energy: -14.742 flat angles P-C4'-P energy: -5.421 tors. eta vs tors. theta energy: -18.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -215.946800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.946800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.946800 (E_RNA) where: Base-Base interactions energy: -158.236 where: short stacking energy: -68.513 Base-Backbone interact. energy: 0.776 local terms energy: -58.487479 where: bonds (distance) C4'-P energy: -11.275 bonds (distance) P-C4' energy: -14.542 flat angles C4'-P-C4' energy: -11.442 flat angles P-C4'-P energy: -9.846 tors. eta vs tors. theta energy: -11.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -201.611054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.611054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.611054 (E_RNA) where: Base-Base interactions energy: -143.221 where: short stacking energy: -56.977 Base-Backbone interact. energy: -1.101 local terms energy: -57.288375 where: bonds (distance) C4'-P energy: -15.605 bonds (distance) P-C4' energy: -10.312 flat angles C4'-P-C4' energy: -11.425 flat angles P-C4'-P energy: -7.719 tors. eta vs tors. theta energy: -12.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -201.415038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.415038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.415038 (E_RNA) where: Base-Base interactions energy: -138.406 where: short stacking energy: -64.737 Base-Backbone interact. energy: -0.056 local terms energy: -62.953421 where: bonds (distance) C4'-P energy: -15.394 bonds (distance) P-C4' energy: -11.673 flat angles C4'-P-C4' energy: -13.492 flat angles P-C4'-P energy: -10.831 tors. eta vs tors. theta energy: -11.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -207.698563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.698563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.698563 (E_RNA) where: Base-Base interactions energy: -148.697 where: short stacking energy: -77.810 Base-Backbone interact. energy: -0.891 local terms energy: -58.110816 where: bonds (distance) C4'-P energy: -8.074 bonds (distance) P-C4' energy: -15.967 flat angles C4'-P-C4' energy: -15.491 flat angles P-C4'-P energy: -0.784 tors. eta vs tors. theta energy: -17.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -294.342048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.342048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.342048 (E_RNA) where: Base-Base interactions energy: -211.858 where: short stacking energy: -89.866 Base-Backbone interact. energy: -3.007 local terms energy: -79.477405 where: bonds (distance) C4'-P energy: -18.633 bonds (distance) P-C4' energy: -16.191 flat angles C4'-P-C4' energy: -15.415 flat angles P-C4'-P energy: -7.660 tors. eta vs tors. theta energy: -21.579 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: 7 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -272.040802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.040802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.040802 (E_RNA) where: Base-Base interactions energy: -199.788 where: short stacking energy: -84.626 Base-Backbone interact. energy: -1.078 local terms energy: -71.174777 where: bonds (distance) C4'-P energy: -14.107 bonds (distance) P-C4' energy: -11.754 flat angles C4'-P-C4' energy: -15.149 flat angles P-C4'-P energy: -11.426 tors. eta vs tors. theta energy: -18.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -250.984275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.984275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.984275 (E_RNA) where: Base-Base interactions energy: -170.491 where: short stacking energy: -82.332 Base-Backbone interact. energy: -1.689 local terms energy: -78.804621 where: bonds (distance) C4'-P energy: -14.754 bonds (distance) P-C4' energy: -16.176 flat angles C4'-P-C4' energy: -17.016 flat angles P-C4'-P energy: -9.304 tors. eta vs tors. theta energy: -21.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -253.421626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.421626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.421626 (E_RNA) where: Base-Base interactions energy: -176.182 where: short stacking energy: -78.701 Base-Backbone interact. energy: -0.871 local terms energy: -76.368399 where: bonds (distance) C4'-P energy: -16.472 bonds (distance) P-C4' energy: -13.697 flat angles C4'-P-C4' energy: -15.866 flat angles P-C4'-P energy: -12.762 tors. eta vs tors. theta energy: -17.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -235.035866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.035866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.035866 (E_RNA) where: Base-Base interactions energy: -158.723 where: short stacking energy: -82.215 Base-Backbone interact. energy: -1.138 local terms energy: -75.174653 where: bonds (distance) C4'-P energy: -14.298 bonds (distance) P-C4' energy: -16.467 flat angles C4'-P-C4' energy: -16.439 flat angles P-C4'-P energy: -10.534 tors. eta vs tors. theta energy: -17.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -215.587287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.587287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.587287 (E_RNA) where: Base-Base interactions energy: -137.176 where: short stacking energy: -68.049 Base-Backbone interact. energy: -0.333 local terms energy: -78.078565 where: bonds (distance) C4'-P energy: -16.836 bonds (distance) P-C4' energy: -15.421 flat angles C4'-P-C4' energy: -18.658 flat angles P-C4'-P energy: -13.020 tors. eta vs tors. theta energy: -14.143 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: 7, replica: 5 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -205.003063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.003063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.003063 (E_RNA) where: Base-Base interactions energy: -144.940 where: short stacking energy: -61.033 Base-Backbone interact. energy: -1.091 local terms energy: -58.972299 where: bonds (distance) C4'-P energy: -11.143 bonds (distance) P-C4' energy: -14.445 flat angles C4'-P-C4' energy: -14.245 flat angles P-C4'-P energy: -7.918 tors. eta vs tors. theta energy: -11.220 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: 4 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -213.014394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.014394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.014394 (E_RNA) where: Base-Base interactions energy: -139.751 where: short stacking energy: -64.708 Base-Backbone interact. energy: -0.999 local terms energy: -72.264238 where: bonds (distance) C4'-P energy: -12.789 bonds (distance) P-C4' energy: -14.694 flat angles C4'-P-C4' energy: -13.425 flat angles P-C4'-P energy: -13.578 tors. eta vs tors. theta energy: -17.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -210.996351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.996351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.996351 (E_RNA) where: Base-Base interactions energy: -156.876 where: short stacking energy: -72.870 Base-Backbone interact. energy: -0.085 local terms energy: -54.034641 where: bonds (distance) C4'-P energy: -8.340 bonds (distance) P-C4' energy: -17.067 flat angles C4'-P-C4' energy: -16.707 flat angles P-C4'-P energy: -2.257 tors. eta vs tors. theta energy: -9.664 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: 2 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -206.689696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.689696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.689696 (E_RNA) where: Base-Base interactions energy: -143.400 where: short stacking energy: -61.916 Base-Backbone interact. energy: -0.720 local terms energy: -62.569381 where: bonds (distance) C4'-P energy: -8.631 bonds (distance) P-C4' energy: -18.056 flat angles C4'-P-C4' energy: -10.547 flat angles P-C4'-P energy: -10.592 tors. eta vs tors. theta energy: -14.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -295.801952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.801952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.801952 (E_RNA) where: Base-Base interactions energy: -212.500 where: short stacking energy: -94.269 Base-Backbone interact. energy: -0.551 local terms energy: -82.750108 where: bonds (distance) C4'-P energy: -14.502 bonds (distance) P-C4' energy: -16.878 flat angles C4'-P-C4' energy: -21.199 flat angles P-C4'-P energy: -7.627 tors. eta vs tors. theta energy: -22.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -281.249977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.249977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.249977 (E_RNA) where: Base-Base interactions energy: -194.969 where: short stacking energy: -80.611 Base-Backbone interact. energy: -1.394 local terms energy: -84.886194 where: bonds (distance) C4'-P energy: -19.319 bonds (distance) P-C4' energy: -19.028 flat angles C4'-P-C4' energy: -16.399 flat angles P-C4'-P energy: -11.711 tors. eta vs tors. theta energy: -18.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -252.094271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.094271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.094271 (E_RNA) where: Base-Base interactions energy: -166.655 where: short stacking energy: -86.889 Base-Backbone interact. energy: 1.765 local terms energy: -87.203977 where: bonds (distance) C4'-P energy: -16.800 bonds (distance) P-C4' energy: -15.772 flat angles C4'-P-C4' energy: -15.818 flat angles P-C4'-P energy: -16.566 tors. eta vs tors. theta energy: -22.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -272.746325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.746325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.746325 (E_RNA) where: Base-Base interactions energy: -196.154 where: short stacking energy: -89.310 Base-Backbone interact. energy: -0.814 local terms energy: -75.777526 where: bonds (distance) C4'-P energy: -14.732 bonds (distance) P-C4' energy: -10.717 flat angles C4'-P-C4' energy: -16.487 flat angles P-C4'-P energy: -11.893 tors. eta vs tors. theta energy: -21.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -222.465283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.465283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.465283 (E_RNA) where: Base-Base interactions energy: -144.210 where: short stacking energy: -72.491 Base-Backbone interact. energy: -0.364 local terms energy: -77.891942 where: bonds (distance) C4'-P energy: -15.217 bonds (distance) P-C4' energy: -19.281 flat angles C4'-P-C4' energy: -20.231 flat angles P-C4'-P energy: -9.913 tors. eta vs tors. theta energy: -13.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -247.344591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.344591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.344591 (E_RNA) where: Base-Base interactions energy: -172.618 where: short stacking energy: -77.633 Base-Backbone interact. energy: -0.432 local terms energy: -74.294178 where: bonds (distance) C4'-P energy: -16.732 bonds (distance) P-C4' energy: -12.110 flat angles C4'-P-C4' energy: -16.543 flat angles P-C4'-P energy: -9.516 tors. eta vs tors. theta energy: -19.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -203.486695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.486695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.486695 (E_RNA) where: Base-Base interactions energy: -131.594 where: short stacking energy: -57.785 Base-Backbone interact. energy: -0.069 local terms energy: -71.824177 where: bonds (distance) C4'-P energy: -10.992 bonds (distance) P-C4' energy: -16.780 flat angles C4'-P-C4' energy: -15.517 flat angles P-C4'-P energy: -16.651 tors. eta vs tors. theta energy: -11.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -211.898568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.898568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.898568 (E_RNA) where: Base-Base interactions energy: -140.939 where: short stacking energy: -60.880 Base-Backbone interact. energy: -0.557 local terms energy: -70.402495 where: bonds (distance) C4'-P energy: -16.048 bonds (distance) P-C4' energy: -15.872 flat angles C4'-P-C4' energy: -14.253 flat angles P-C4'-P energy: -8.608 tors. eta vs tors. theta energy: -15.623 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: 4 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -205.277568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.277568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.277568 (E_RNA) where: Base-Base interactions energy: -139.791 where: short stacking energy: -68.467 Base-Backbone interact. energy: -0.987 local terms energy: -64.499796 where: bonds (distance) C4'-P energy: -18.143 bonds (distance) P-C4' energy: -10.620 flat angles C4'-P-C4' energy: -12.441 flat angles P-C4'-P energy: -10.388 tors. eta vs tors. theta energy: -12.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -214.667185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.667185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.667185 (E_RNA) where: Base-Base interactions energy: -145.797 where: short stacking energy: -62.891 Base-Backbone interact. energy: -0.213 local terms energy: -68.657425 where: bonds (distance) C4'-P energy: -9.211 bonds (distance) P-C4' energy: -16.396 flat angles C4'-P-C4' energy: -16.697 flat angles P-C4'-P energy: -10.462 tors. eta vs tors. theta energy: -15.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -283.355374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.355374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.355374 (E_RNA) where: Base-Base interactions energy: -203.069 where: short stacking energy: -84.814 Base-Backbone interact. energy: -0.583 local terms energy: -79.703577 where: bonds (distance) C4'-P energy: -16.730 bonds (distance) P-C4' energy: -15.679 flat angles C4'-P-C4' energy: -18.145 flat angles P-C4'-P energy: -9.428 tors. eta vs tors. theta energy: -19.722 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: 6 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -291.217770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.217770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.217770 (E_RNA) where: Base-Base interactions energy: -216.414 where: short stacking energy: -96.563 Base-Backbone interact. energy: -0.463 local terms energy: -74.340582 where: bonds (distance) C4'-P energy: -15.142 bonds (distance) P-C4' energy: -13.354 flat angles C4'-P-C4' energy: -13.872 flat angles P-C4'-P energy: -8.303 tors. eta vs tors. theta energy: -23.669 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: 258 Temperature: 1.000000 Total energy: -272.345321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.345321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.345321 (E_RNA) where: Base-Base interactions energy: -190.700 where: short stacking energy: -82.249 Base-Backbone interact. energy: 0.663 local terms energy: -82.308224 where: bonds (distance) C4'-P energy: -14.720 bonds (distance) P-C4' energy: -17.313 flat angles C4'-P-C4' energy: -19.252 flat angles P-C4'-P energy: -14.103 tors. eta vs tors. theta energy: -16.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -225.248905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.248905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.248905 (E_RNA) where: Base-Base interactions energy: -146.346 where: short stacking energy: -72.017 Base-Backbone interact. energy: -0.296 local terms energy: -78.607046 where: bonds (distance) C4'-P energy: -16.289 bonds (distance) P-C4' energy: -19.454 flat angles C4'-P-C4' energy: -13.669 flat angles P-C4'-P energy: -12.752 tors. eta vs tors. theta energy: -16.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -260.126144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.126144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.126144 (E_RNA) where: Base-Base interactions energy: -182.866 where: short stacking energy: -81.246 Base-Backbone interact. energy: 0.641 local terms energy: -77.901143 where: bonds (distance) C4'-P energy: -14.929 bonds (distance) P-C4' energy: -17.596 flat angles C4'-P-C4' energy: -18.182 flat angles P-C4'-P energy: -9.821 tors. eta vs tors. theta energy: -17.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -225.591533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.591533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.591533 (E_RNA) where: Base-Base interactions energy: -146.364 where: short stacking energy: -65.683 Base-Backbone interact. energy: -0.110 local terms energy: -79.117330 where: bonds (distance) C4'-P energy: -19.369 bonds (distance) P-C4' energy: -18.739 flat angles C4'-P-C4' energy: -18.585 flat angles P-C4'-P energy: -5.780 tors. eta vs tors. theta energy: -16.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -207.665588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.665588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.665588 (E_RNA) where: Base-Base interactions energy: -138.138 where: short stacking energy: -62.655 Base-Backbone interact. energy: -0.024 local terms energy: -69.503843 where: bonds (distance) C4'-P energy: -14.532 bonds (distance) P-C4' energy: -11.862 flat angles C4'-P-C4' energy: -18.186 flat angles P-C4'-P energy: -12.390 tors. eta vs tors. theta energy: -12.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -197.752771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.752771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.752771 (E_RNA) where: Base-Base interactions energy: -136.187 where: short stacking energy: -54.230 Base-Backbone interact. energy: -0.713 local terms energy: -60.852662 where: bonds (distance) C4'-P energy: -15.676 bonds (distance) P-C4' energy: -10.397 flat angles C4'-P-C4' energy: -15.109 flat angles P-C4'-P energy: -6.042 tors. eta vs tors. theta energy: -13.629 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: 2 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -198.207480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.207480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.207480 (E_RNA) where: Base-Base interactions energy: -139.089 where: short stacking energy: -61.323 Base-Backbone interact. energy: -0.911 local terms energy: -58.207310 where: bonds (distance) C4'-P energy: -10.485 bonds (distance) P-C4' energy: -12.703 flat angles C4'-P-C4' energy: -17.198 flat angles P-C4'-P energy: -9.995 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: 10, replica: 4 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -191.941966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.941966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.941966 (E_RNA) where: Base-Base interactions energy: -127.385 where: short stacking energy: -52.602 Base-Backbone interact. energy: -0.698 local terms energy: -63.859078 where: bonds (distance) C4'-P energy: -14.584 bonds (distance) P-C4' energy: -16.114 flat angles C4'-P-C4' energy: -11.337 flat angles P-C4'-P energy: -9.854 tors. eta vs tors. theta energy: -11.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -290.550388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.550388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.550388 (E_RNA) where: Base-Base interactions energy: -207.559 where: short stacking energy: -89.384 Base-Backbone interact. energy: -1.498 local terms energy: -81.493220 where: bonds (distance) C4'-P energy: -18.757 bonds (distance) P-C4' energy: -12.281 flat angles C4'-P-C4' energy: -18.276 flat angles P-C4'-P energy: -12.529 tors. eta vs tors. theta energy: -19.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -284.004382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.004382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.004382 (E_RNA) where: Base-Base interactions energy: -201.415 where: short stacking energy: -87.811 Base-Backbone interact. energy: 0.154 local terms energy: -82.744135 where: bonds (distance) C4'-P energy: -14.621 bonds (distance) P-C4' energy: -18.148 flat angles C4'-P-C4' energy: -17.328 flat angles P-C4'-P energy: -10.956 tors. eta vs tors. theta energy: -21.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -272.502045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.502045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.502045 (E_RNA) where: Base-Base interactions energy: -183.635 where: short stacking energy: -88.256 Base-Backbone interact. energy: -0.087 local terms energy: -88.779934 where: bonds (distance) C4'-P energy: -16.823 bonds (distance) P-C4' energy: -20.207 flat angles C4'-P-C4' energy: -16.191 flat angles P-C4'-P energy: -14.867 tors. eta vs tors. theta energy: -20.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -256.964925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.964925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.964925 (E_RNA) where: Base-Base interactions energy: -183.629 where: short stacking energy: -74.128 Base-Backbone interact. energy: -0.404 local terms energy: -72.931445 where: bonds (distance) C4'-P energy: -13.938 bonds (distance) P-C4' energy: -16.988 flat angles C4'-P-C4' energy: -15.276 flat angles P-C4'-P energy: -12.686 tors. eta vs tors. theta energy: -14.043 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: 9 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -232.341663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.341663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.341663 (E_RNA) where: Base-Base interactions energy: -161.190 where: short stacking energy: -73.755 Base-Backbone interact. energy: -0.347 local terms energy: -70.803793 where: bonds (distance) C4'-P energy: -9.924 bonds (distance) P-C4' energy: -17.684 flat angles C4'-P-C4' energy: -15.227 flat angles P-C4'-P energy: -8.749 tors. eta vs tors. theta energy: -19.220 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: 8 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -230.267003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.267003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.267003 (E_RNA) where: Base-Base interactions energy: -158.442 where: short stacking energy: -82.726 Base-Backbone interact. energy: -0.010 local terms energy: -71.815283 where: bonds (distance) C4'-P energy: -16.641 bonds (distance) P-C4' energy: -15.851 flat angles C4'-P-C4' energy: -14.648 flat angles P-C4'-P energy: -6.346 tors. eta vs tors. theta energy: -18.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -209.596105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.596105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.596105 (E_RNA) where: Base-Base interactions energy: -148.444 where: short stacking energy: -62.207 Base-Backbone interact. energy: 0.995 local terms energy: -62.147183 where: bonds (distance) C4'-P energy: -10.480 bonds (distance) P-C4' energy: -16.139 flat angles C4'-P-C4' energy: -12.831 flat angles P-C4'-P energy: -10.592 tors. eta vs tors. theta energy: -12.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -205.510742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.510742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.510742 (E_RNA) where: Base-Base interactions energy: -136.732 where: short stacking energy: -65.256 Base-Backbone interact. energy: -0.559 local terms energy: -68.219473 where: bonds (distance) C4'-P energy: -11.108 bonds (distance) P-C4' energy: -16.142 flat angles C4'-P-C4' energy: -12.757 flat angles P-C4'-P energy: -12.683 tors. eta vs tors. theta energy: -15.529 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: 2 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -196.815337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.815337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.815337 (E_RNA) where: Base-Base interactions energy: -136.398 where: short stacking energy: -60.102 Base-Backbone interact. energy: -0.892 local terms energy: -59.525804 where: bonds (distance) C4'-P energy: -8.415 bonds (distance) P-C4' energy: -18.231 flat angles C4'-P-C4' energy: -12.543 flat angles P-C4'-P energy: -9.829 tors. eta vs tors. theta energy: -10.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -198.066467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.066467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.066467 (E_RNA) where: Base-Base interactions energy: -138.752 where: short stacking energy: -68.913 Base-Backbone interact. energy: -1.139 local terms energy: -58.175202 where: bonds (distance) C4'-P energy: -15.733 bonds (distance) P-C4' energy: -13.543 flat angles C4'-P-C4' energy: -12.955 flat angles P-C4'-P energy: -5.191 tors. eta vs tors. theta energy: -10.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -285.523350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.523350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.523350 (E_RNA) where: Base-Base interactions energy: -198.515 where: short stacking energy: -91.610 Base-Backbone interact. energy: -1.927 local terms energy: -85.081678 where: bonds (distance) C4'-P energy: -11.284 bonds (distance) P-C4' energy: -18.442 flat angles C4'-P-C4' energy: -18.609 flat angles P-C4'-P energy: -16.689 tors. eta vs tors. theta energy: -20.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -284.815621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.815621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.815621 (E_RNA) where: Base-Base interactions energy: -192.454 where: short stacking energy: -85.575 Base-Backbone interact. energy: -0.746 local terms energy: -91.615818 where: bonds (distance) C4'-P energy: -17.266 bonds (distance) P-C4' energy: -19.772 flat angles C4'-P-C4' energy: -20.306 flat angles P-C4'-P energy: -13.945 tors. eta vs tors. theta energy: -20.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -274.502347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.502347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.502347 (E_RNA) where: Base-Base interactions energy: -192.320 where: short stacking energy: -79.168 Base-Backbone interact. energy: -0.567 local terms energy: -81.615113 where: bonds (distance) C4'-P energy: -15.970 bonds (distance) P-C4' energy: -17.082 flat angles C4'-P-C4' energy: -15.936 flat angles P-C4'-P energy: -10.906 tors. eta vs tors. theta energy: -21.721 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: 5 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -232.723878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.723878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.723878 (E_RNA) where: Base-Base interactions energy: -160.016 where: short stacking energy: -79.405 Base-Backbone interact. energy: 0.105 local terms energy: -72.812917 where: bonds (distance) C4'-P energy: -15.361 bonds (distance) P-C4' energy: -15.552 flat angles C4'-P-C4' energy: -13.776 flat angles P-C4'-P energy: -9.040 tors. eta vs tors. theta energy: -19.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -228.965635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.965635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.965635 (E_RNA) where: Base-Base interactions energy: -161.361 where: short stacking energy: -75.073 Base-Backbone interact. energy: 1.745 local terms energy: -69.350144 where: bonds (distance) C4'-P energy: -11.408 bonds (distance) P-C4' energy: -13.750 flat angles C4'-P-C4' energy: -17.040 flat angles P-C4'-P energy: -10.127 tors. eta vs tors. theta energy: -17.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -228.637304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.637304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.637304 (E_RNA) where: Base-Base interactions energy: -152.286 where: short stacking energy: -72.126 Base-Backbone interact. energy: -0.535 local terms energy: -75.816069 where: bonds (distance) C4'-P energy: -17.993 bonds (distance) P-C4' energy: -16.469 flat angles C4'-P-C4' energy: -15.902 flat angles P-C4'-P energy: -4.893 tors. eta vs tors. theta energy: -20.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -236.329005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.329005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.329005 (E_RNA) where: Base-Base interactions energy: -160.454 where: short stacking energy: -76.042 Base-Backbone interact. energy: -0.070 local terms energy: -75.805752 where: bonds (distance) C4'-P energy: -15.835 bonds (distance) P-C4' energy: -15.420 flat angles C4'-P-C4' energy: -16.129 flat angles P-C4'-P energy: -8.384 tors. eta vs tors. theta energy: -20.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -210.039236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.039236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.039236 (E_RNA) where: Base-Base interactions energy: -138.641 where: short stacking energy: -67.380 Base-Backbone interact. energy: -0.137 local terms energy: -71.260769 where: bonds (distance) C4'-P energy: -13.922 bonds (distance) P-C4' energy: -17.554 flat angles C4'-P-C4' energy: -16.355 flat angles P-C4'-P energy: -9.708 tors. eta vs tors. theta energy: -13.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -206.870019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.870019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.870019 (E_RNA) where: Base-Base interactions energy: -140.670 where: short stacking energy: -62.486 Base-Backbone interact. energy: -0.014 local terms energy: -66.185752 where: bonds (distance) C4'-P energy: -14.808 bonds (distance) P-C4' energy: -13.256 flat angles C4'-P-C4' energy: -10.072 flat angles P-C4'-P energy: -9.616 tors. eta vs tors. theta energy: -18.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -197.523751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.523751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.523751 (E_RNA) where: Base-Base interactions energy: -137.527 where: short stacking energy: -61.485 Base-Backbone interact. energy: -0.194 local terms energy: -59.803460 where: bonds (distance) C4'-P energy: -10.467 bonds (distance) P-C4' energy: -16.018 flat angles C4'-P-C4' energy: -9.196 flat angles P-C4'-P energy: -9.014 tors. eta vs tors. theta energy: -15.109 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: 6 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -286.243574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.243574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.243574 (E_RNA) where: Base-Base interactions energy: -196.944 where: short stacking energy: -90.096 Base-Backbone interact. energy: -0.453 local terms energy: -88.846868 where: bonds (distance) C4'-P energy: -18.546 bonds (distance) P-C4' energy: -18.150 flat angles C4'-P-C4' energy: -19.781 flat angles P-C4'-P energy: -12.562 tors. eta vs tors. theta energy: -19.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -283.751822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.751822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.751822 (E_RNA) where: Base-Base interactions energy: -200.670 where: short stacking energy: -87.859 Base-Backbone interact. energy: -1.406 local terms energy: -81.675054 where: bonds (distance) C4'-P energy: -18.120 bonds (distance) P-C4' energy: -18.179 flat angles C4'-P-C4' energy: -14.878 flat angles P-C4'-P energy: -10.587 tors. eta vs tors. theta energy: -19.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -268.711223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.711223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.711223 (E_RNA) where: Base-Base interactions energy: -189.767 where: short stacking energy: -70.567 Base-Backbone interact. energy: -0.982 local terms energy: -77.962745 where: bonds (distance) C4'-P energy: -18.110 bonds (distance) P-C4' energy: -12.818 flat angles C4'-P-C4' energy: -17.281 flat angles P-C4'-P energy: -11.486 tors. eta vs tors. theta energy: -18.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -236.496901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.496901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.496901 (E_RNA) where: Base-Base interactions energy: -156.931 where: short stacking energy: -71.874 Base-Backbone interact. energy: -1.185 local terms energy: -78.380915 where: bonds (distance) C4'-P energy: -14.727 bonds (distance) P-C4' energy: -19.693 flat angles C4'-P-C4' energy: -17.774 flat angles P-C4'-P energy: -11.520 tors. eta vs tors. theta energy: -14.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -243.312499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.312499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.312499 (E_RNA) where: Base-Base interactions energy: -163.988 where: short stacking energy: -82.512 Base-Backbone interact. energy: 0.831 local terms energy: -80.155860 where: bonds (distance) C4'-P energy: -11.543 bonds (distance) P-C4' energy: -18.936 flat angles C4'-P-C4' energy: -19.302 flat angles P-C4'-P energy: -11.430 tors. eta vs tors. theta energy: -18.945 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: 10 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -227.036901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.036901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.036901 (E_RNA) where: Base-Base interactions energy: -151.522 where: short stacking energy: -75.802 Base-Backbone interact. energy: -1.115 local terms energy: -74.399571 where: bonds (distance) C4'-P energy: -16.820 bonds (distance) P-C4' energy: -15.645 flat angles C4'-P-C4' energy: -16.918 flat angles P-C4'-P energy: -9.018 tors. eta vs tors. theta energy: -15.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -226.760184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.760184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.760184 (E_RNA) where: Base-Base interactions energy: -154.413 where: short stacking energy: -75.123 Base-Backbone interact. energy: -0.160 local terms energy: -72.187112 where: bonds (distance) C4'-P energy: -14.592 bonds (distance) P-C4' energy: -14.704 flat angles C4'-P-C4' energy: -14.972 flat angles P-C4'-P energy: -12.086 tors. eta vs tors. theta energy: -15.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -200.601405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.601405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.601405 (E_RNA) where: Base-Base interactions energy: -137.487 where: short stacking energy: -61.293 Base-Backbone interact. energy: -0.302 local terms energy: -62.811909 where: bonds (distance) C4'-P energy: -9.748 bonds (distance) P-C4' energy: -11.951 flat angles C4'-P-C4' energy: -14.289 flat angles P-C4'-P energy: -11.941 tors. eta vs tors. theta energy: -14.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -206.210795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.210795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.210795 (E_RNA) where: Base-Base interactions energy: -146.994 where: short stacking energy: -66.679 Base-Backbone interact. energy: -0.320 local terms energy: -58.896343 where: bonds (distance) C4'-P energy: -15.152 bonds (distance) P-C4' energy: -11.516 flat angles C4'-P-C4' energy: -11.437 flat angles P-C4'-P energy: -9.641 tors. eta vs tors. theta energy: -11.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -192.504181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.504181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.504181 (E_RNA) where: Base-Base interactions energy: -136.612 where: short stacking energy: -51.445 Base-Backbone interact. energy: 0.175 local terms energy: -56.067086 where: bonds (distance) C4'-P energy: -16.164 bonds (distance) P-C4' energy: -14.934 flat angles C4'-P-C4' energy: -5.102 flat angles P-C4'-P energy: -6.170 tors. eta vs tors. theta energy: -13.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -293.789284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.789284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.789284 (E_RNA) where: Base-Base interactions energy: -211.097 where: short stacking energy: -96.116 Base-Backbone interact. energy: -0.128 local terms energy: -82.564500 where: bonds (distance) C4'-P energy: -16.412 bonds (distance) P-C4' energy: -17.841 flat angles C4'-P-C4' energy: -17.523 flat angles P-C4'-P energy: -9.090 tors. eta vs tors. theta energy: -21.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -279.230288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.230288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.230288 (E_RNA) where: Base-Base interactions energy: -202.540 where: short stacking energy: -91.711 Base-Backbone interact. energy: -0.224 local terms energy: -76.466218 where: bonds (distance) C4'-P energy: -12.926 bonds (distance) P-C4' energy: -18.483 flat angles C4'-P-C4' energy: -14.825 flat angles P-C4'-P energy: -9.640 tors. eta vs tors. theta energy: -20.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -277.717262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.717262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.717262 (E_RNA) where: Base-Base interactions energy: -199.795 where: short stacking energy: -83.352 Base-Backbone interact. energy: -0.913 local terms energy: -77.009644 where: bonds (distance) C4'-P energy: -9.988 bonds (distance) P-C4' energy: -19.171 flat angles C4'-P-C4' energy: -14.528 flat angles P-C4'-P energy: -14.835 tors. eta vs tors. theta energy: -18.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -238.067872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.067872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.067872 (E_RNA) where: Base-Base interactions energy: -158.888 where: short stacking energy: -78.702 Base-Backbone interact. energy: -0.981 local terms energy: -78.199398 where: bonds (distance) C4'-P energy: -10.909 bonds (distance) P-C4' energy: -16.934 flat angles C4'-P-C4' energy: -19.049 flat angles P-C4'-P energy: -12.911 tors. eta vs tors. theta energy: -18.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -214.331234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.331234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.331234 (E_RNA) where: Base-Base interactions energy: -137.633 where: short stacking energy: -67.802 Base-Backbone interact. energy: -0.647 local terms energy: -76.050962 where: bonds (distance) C4'-P energy: -18.366 bonds (distance) P-C4' energy: -10.285 flat angles C4'-P-C4' energy: -20.030 flat angles P-C4'-P energy: -13.445 tors. eta vs tors. theta energy: -13.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -233.300823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.300823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.300823 (E_RNA) where: Base-Base interactions energy: -154.684 where: short stacking energy: -74.976 Base-Backbone interact. energy: -0.632 local terms energy: -77.984706 where: bonds (distance) C4'-P energy: -14.854 bonds (distance) P-C4' energy: -16.297 flat angles C4'-P-C4' energy: -11.807 flat angles P-C4'-P energy: -14.749 tors. eta vs tors. theta energy: -20.278 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: 4 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -219.382179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.382179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.382179 (E_RNA) where: Base-Base interactions energy: -145.798 where: short stacking energy: -73.152 Base-Backbone interact. energy: -0.291 local terms energy: -73.292440 where: bonds (distance) C4'-P energy: -13.243 bonds (distance) P-C4' energy: -15.839 flat angles C4'-P-C4' energy: -16.653 flat angles P-C4'-P energy: -9.657 tors. eta vs tors. theta energy: -17.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -210.693687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.693687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.693687 (E_RNA) where: Base-Base interactions energy: -139.829 where: short stacking energy: -65.258 Base-Backbone interact. energy: -0.069 local terms energy: -70.795523 where: bonds (distance) C4'-P energy: -16.490 bonds (distance) P-C4' energy: -12.224 flat angles C4'-P-C4' energy: -18.067 flat angles P-C4'-P energy: -12.258 tors. eta vs tors. theta energy: -11.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -212.971138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.971138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.971138 (E_RNA) where: Base-Base interactions energy: -141.274 where: short stacking energy: -66.117 Base-Backbone interact. energy: -0.620 local terms energy: -71.077800 where: bonds (distance) C4'-P energy: -18.289 bonds (distance) P-C4' energy: -14.415 flat angles C4'-P-C4' energy: -18.669 flat angles P-C4'-P energy: -7.722 tors. eta vs tors. theta energy: -11.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -194.498989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.498989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.498989 (E_RNA) where: Base-Base interactions energy: -128.969 where: short stacking energy: -61.968 Base-Backbone interact. energy: -0.008 local terms energy: -65.521425 where: bonds (distance) C4'-P energy: -16.795 bonds (distance) P-C4' energy: -14.079 flat angles C4'-P-C4' energy: -14.544 flat angles P-C4'-P energy: -6.713 tors. eta vs tors. theta energy: -13.390 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: 1, replica: 3 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -290.561833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.561833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.561833 (E_RNA) where: Base-Base interactions energy: -204.019 where: short stacking energy: -85.081 Base-Backbone interact. energy: -1.747 local terms energy: -84.796600 where: bonds (distance) C4'-P energy: -17.127 bonds (distance) P-C4' energy: -16.861 flat angles C4'-P-C4' energy: -20.053 flat angles P-C4'-P energy: -12.503 tors. eta vs tors. theta energy: -18.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -289.060663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.060663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.060663 (E_RNA) where: Base-Base interactions energy: -199.341 where: short stacking energy: -87.138 Base-Backbone interact. energy: -0.543 local terms energy: -89.175924 where: bonds (distance) C4'-P energy: -17.558 bonds (distance) P-C4' energy: -16.184 flat angles C4'-P-C4' energy: -16.638 flat angles P-C4'-P energy: -13.772 tors. eta vs tors. theta energy: -25.024 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: 6 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -274.635339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.635339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.635339 (E_RNA) where: Base-Base interactions energy: -198.235 where: short stacking energy: -86.008 Base-Backbone interact. energy: -0.491 local terms energy: -75.909976 where: bonds (distance) C4'-P energy: -13.987 bonds (distance) P-C4' energy: -11.202 flat angles C4'-P-C4' energy: -17.963 flat angles P-C4'-P energy: -11.350 tors. eta vs tors. theta energy: -21.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -250.263969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.263969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.263969 (E_RNA) where: Base-Base interactions energy: -167.402 where: short stacking energy: -86.424 Base-Backbone interact. energy: -0.384 local terms energy: -82.477262 where: bonds (distance) C4'-P energy: -17.274 bonds (distance) P-C4' energy: -17.406 flat angles C4'-P-C4' energy: -16.500 flat angles P-C4'-P energy: -13.657 tors. eta vs tors. theta energy: -17.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -224.327354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.327354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.327354 (E_RNA) where: Base-Base interactions energy: -160.878 where: short stacking energy: -76.057 Base-Backbone interact. energy: -0.551 local terms energy: -62.898892 where: bonds (distance) C4'-P energy: -15.685 bonds (distance) P-C4' energy: -13.240 flat angles C4'-P-C4' energy: -12.291 flat angles P-C4'-P energy: -9.101 tors. eta vs tors. theta energy: -12.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -229.338221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.338221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.338221 (E_RNA) where: Base-Base interactions energy: -152.553 where: short stacking energy: -72.909 Base-Backbone interact. energy: -0.387 local terms energy: -76.398550 where: bonds (distance) C4'-P energy: -14.106 bonds (distance) P-C4' energy: -16.336 flat angles C4'-P-C4' energy: -14.523 flat angles P-C4'-P energy: -13.000 tors. eta vs tors. theta energy: -18.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -220.442572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.442572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.442572 (E_RNA) where: Base-Base interactions energy: -147.940 where: short stacking energy: -70.765 Base-Backbone interact. energy: 0.217 local terms energy: -72.719571 where: bonds (distance) C4'-P energy: -18.002 bonds (distance) P-C4' energy: -13.357 flat angles C4'-P-C4' energy: -15.274 flat angles P-C4'-P energy: -9.226 tors. eta vs tors. theta energy: -16.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -203.543923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.543923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.543923 (E_RNA) where: Base-Base interactions energy: -130.919 where: short stacking energy: -59.429 Base-Backbone interact. energy: -0.280 local terms energy: -72.344363 where: bonds (distance) C4'-P energy: -16.492 bonds (distance) P-C4' energy: -16.663 flat angles C4'-P-C4' energy: -17.412 flat angles P-C4'-P energy: -11.062 tors. eta vs tors. theta energy: -10.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -199.860830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.860830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.860830 (E_RNA) where: Base-Base interactions energy: -132.898 where: short stacking energy: -69.631 Base-Backbone interact. energy: -0.546 local terms energy: -66.416581 where: bonds (distance) C4'-P energy: -9.965 bonds (distance) P-C4' energy: -14.521 flat angles C4'-P-C4' energy: -15.606 flat angles P-C4'-P energy: -10.748 tors. eta vs tors. theta energy: -15.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -197.805832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.805832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.805832 (E_RNA) where: Base-Base interactions energy: -128.585 where: short stacking energy: -57.245 Base-Backbone interact. energy: -0.146 local terms energy: -69.074290 where: bonds (distance) C4'-P energy: -18.145 bonds (distance) P-C4' energy: -19.929 flat angles C4'-P-C4' energy: -14.719 flat angles P-C4'-P energy: -2.555 tors. eta vs tors. theta energy: -13.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -284.579437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.579437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.579437 (E_RNA) where: Base-Base interactions energy: -199.982 where: short stacking energy: -82.029 Base-Backbone interact. energy: -0.622 local terms energy: -83.974794 where: bonds (distance) C4'-P energy: -16.860 bonds (distance) P-C4' energy: -17.016 flat angles C4'-P-C4' energy: -19.948 flat angles P-C4'-P energy: -9.085 tors. eta vs tors. theta energy: -21.066 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: 3 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -296.710396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.710396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.710396 (E_RNA) where: Base-Base interactions energy: -217.003 where: short stacking energy: -96.348 Base-Backbone interact. energy: -0.015 local terms energy: -79.691809 where: bonds (distance) C4'-P energy: -9.315 bonds (distance) P-C4' energy: -17.275 flat angles C4'-P-C4' energy: -20.976 flat angles P-C4'-P energy: -10.260 tors. eta vs tors. theta energy: -21.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -282.027815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.027815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.027815 (E_RNA) where: Base-Base interactions energy: -199.954 where: short stacking energy: -85.503 Base-Backbone interact. energy: 0.688 local terms energy: -82.761965 where: bonds (distance) C4'-P energy: -17.220 bonds (distance) P-C4' energy: -18.690 flat angles C4'-P-C4' energy: -17.621 flat angles P-C4'-P energy: -10.062 tors. eta vs tors. theta energy: -19.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -251.543448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.543448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.543448 (E_RNA) where: Base-Base interactions energy: -168.758 where: short stacking energy: -73.394 Base-Backbone interact. energy: -0.122 local terms energy: -82.662867 where: bonds (distance) C4'-P energy: -18.533 bonds (distance) P-C4' energy: -17.721 flat angles C4'-P-C4' energy: -19.577 flat angles P-C4'-P energy: -6.463 tors. eta vs tors. theta energy: -20.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -223.726358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.726358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.726358 (E_RNA) where: Base-Base interactions energy: -155.961 where: short stacking energy: -70.347 Base-Backbone interact. energy: -0.225 local terms energy: -67.539708 where: bonds (distance) C4'-P energy: -12.703 bonds (distance) P-C4' energy: -15.381 flat angles C4'-P-C4' energy: -12.671 flat angles P-C4'-P energy: -9.833 tors. eta vs tors. theta energy: -16.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -211.504084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.504084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.504084 (E_RNA) where: Base-Base interactions energy: -144.042 where: short stacking energy: -65.190 Base-Backbone interact. energy: -0.058 local terms energy: -67.403791 where: bonds (distance) C4'-P energy: -12.433 bonds (distance) P-C4' energy: -15.709 flat angles C4'-P-C4' energy: -13.500 flat angles P-C4'-P energy: -13.552 tors. eta vs tors. theta energy: -12.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -203.204226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.204226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.204226 (E_RNA) where: Base-Base interactions energy: -133.782 where: short stacking energy: -62.078 Base-Backbone interact. energy: 0.454 local terms energy: -69.876555 where: bonds (distance) C4'-P energy: -14.462 bonds (distance) P-C4' energy: -16.642 flat angles C4'-P-C4' energy: -16.280 flat angles P-C4'-P energy: -14.504 tors. eta vs tors. theta energy: -7.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -208.679653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.679653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.679653 (E_RNA) where: Base-Base interactions energy: -144.555 where: short stacking energy: -68.805 Base-Backbone interact. energy: 0.206 local terms energy: -64.330338 where: bonds (distance) C4'-P energy: -13.534 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -20.813 flat angles P-C4'-P energy: -8.572 tors. eta vs tors. theta energy: -14.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -215.847126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.847126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.847126 (E_RNA) where: Base-Base interactions energy: -146.212 where: short stacking energy: -65.710 Base-Backbone interact. energy: -0.026 local terms energy: -69.609226 where: bonds (distance) C4'-P energy: -11.594 bonds (distance) P-C4' energy: -17.206 flat angles C4'-P-C4' energy: -18.914 flat angles P-C4'-P energy: -9.283 tors. eta vs tors. theta energy: -12.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -198.467604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.467604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.467604 (E_RNA) where: Base-Base interactions energy: -127.944 where: short stacking energy: -57.358 Base-Backbone interact. energy: -0.325 local terms energy: -70.198838 where: bonds (distance) C4'-P energy: -14.158 bonds (distance) P-C4' energy: -15.381 flat angles C4'-P-C4' energy: -15.090 flat angles P-C4'-P energy: -10.151 tors. eta vs tors. theta energy: -15.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -289.925448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.925448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.925448 (E_RNA) where: Base-Base interactions energy: -205.278 where: short stacking energy: -93.441 Base-Backbone interact. energy: 0.128 local terms energy: -84.774833 where: bonds (distance) C4'-P energy: -18.802 bonds (distance) P-C4' energy: -13.579 flat angles C4'-P-C4' energy: -19.141 flat angles P-C4'-P energy: -13.705 tors. eta vs tors. theta energy: -19.547 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: 6 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -282.381075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.381075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.381075 (E_RNA) where: Base-Base interactions energy: -198.475 where: short stacking energy: -87.142 Base-Backbone interact. energy: -0.232 local terms energy: -83.674526 where: bonds (distance) C4'-P energy: -17.916 bonds (distance) P-C4' energy: -17.552 flat angles C4'-P-C4' energy: -21.146 flat angles P-C4'-P energy: -7.491 tors. eta vs tors. theta energy: -19.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -282.728330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.728330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.728330 (E_RNA) where: Base-Base interactions energy: -195.224 where: short stacking energy: -89.290 Base-Backbone interact. energy: -1.653 local terms energy: -85.851126 where: bonds (distance) C4'-P energy: -15.809 bonds (distance) P-C4' energy: -16.164 flat angles C4'-P-C4' energy: -19.518 flat angles P-C4'-P energy: -8.562 tors. eta vs tors. theta energy: -25.799 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: 4, replica: 5 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -240.437409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.437409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.437409 (E_RNA) where: Base-Base interactions energy: -164.488 where: short stacking energy: -83.026 Base-Backbone interact. energy: -0.134 local terms energy: -75.815020 where: bonds (distance) C4'-P energy: -14.431 bonds (distance) P-C4' energy: -17.447 flat angles C4'-P-C4' energy: -17.640 flat angles P-C4'-P energy: -9.135 tors. eta vs tors. theta energy: -17.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -234.590511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.590511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.590511 (E_RNA) where: Base-Base interactions energy: -163.792 where: short stacking energy: -79.776 Base-Backbone interact. energy: 2.410 local terms energy: -73.208019 where: bonds (distance) C4'-P energy: -14.491 bonds (distance) P-C4' energy: -16.512 flat angles C4'-P-C4' energy: -15.367 flat angles P-C4'-P energy: -12.762 tors. eta vs tors. theta energy: -14.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -216.092665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.092665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.092665 (E_RNA) where: Base-Base interactions energy: -146.182 where: short stacking energy: -74.192 Base-Backbone interact. energy: -0.097 local terms energy: -69.813414 where: bonds (distance) C4'-P energy: -16.766 bonds (distance) P-C4' energy: -18.301 flat angles C4'-P-C4' energy: -11.567 flat angles P-C4'-P energy: -9.731 tors. eta vs tors. theta energy: -13.449 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: 4 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -207.141200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.141200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.141200 (E_RNA) where: Base-Base interactions energy: -135.499 where: short stacking energy: -58.659 Base-Backbone interact. energy: -0.572 local terms energy: -71.070331 where: bonds (distance) C4'-P energy: -16.364 bonds (distance) P-C4' energy: -16.758 flat angles C4'-P-C4' energy: -12.376 flat angles P-C4'-P energy: -13.164 tors. eta vs tors. theta energy: -12.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -210.143712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.143712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.143712 (E_RNA) where: Base-Base interactions energy: -143.128 where: short stacking energy: -67.343 Base-Backbone interact. energy: -0.158 local terms energy: -66.857639 where: bonds (distance) C4'-P energy: -11.929 bonds (distance) P-C4' energy: -16.984 flat angles C4'-P-C4' energy: -17.192 flat angles P-C4'-P energy: -6.069 tors. eta vs tors. theta energy: -14.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -199.444946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.444946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.444946 (E_RNA) where: Base-Base interactions energy: -133.889 where: short stacking energy: -62.037 Base-Backbone interact. energy: -0.594 local terms energy: -64.962019 where: bonds (distance) C4'-P energy: -14.134 bonds (distance) P-C4' energy: -12.300 flat angles C4'-P-C4' energy: -12.759 flat angles P-C4'-P energy: -11.587 tors. eta vs tors. theta energy: -14.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -190.387994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.387994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.387994 (E_RNA) where: Base-Base interactions energy: -123.688 where: short stacking energy: -56.878 Base-Backbone interact. energy: 1.106 local terms energy: -67.806184 where: bonds (distance) C4'-P energy: -15.561 bonds (distance) P-C4' energy: -15.022 flat angles C4'-P-C4' energy: -12.061 flat angles P-C4'-P energy: -15.401 tors. eta vs tors. theta energy: -9.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -278.418205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.418205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.418205 (E_RNA) where: Base-Base interactions energy: -199.441 where: short stacking energy: -79.282 Base-Backbone interact. energy: -0.329 local terms energy: -78.648871 where: bonds (distance) C4'-P energy: -16.852 bonds (distance) P-C4' energy: -17.314 flat angles C4'-P-C4' energy: -13.086 flat angles P-C4'-P energy: -11.742 tors. eta vs tors. theta energy: -19.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -287.602763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.602763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.602763 (E_RNA) where: Base-Base interactions energy: -204.080 where: short stacking energy: -98.412 Base-Backbone interact. energy: -0.662 local terms energy: -82.860810 where: bonds (distance) C4'-P energy: -18.546 bonds (distance) P-C4' energy: -17.104 flat angles C4'-P-C4' energy: -18.359 flat angles P-C4'-P energy: -7.724 tors. eta vs tors. theta energy: -21.128 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: 3, replica: 3 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -281.033111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.033111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.033111 (E_RNA) where: Base-Base interactions energy: -205.204 where: short stacking energy: -84.863 Base-Backbone interact. energy: -1.723 local terms energy: -74.105873 where: bonds (distance) C4'-P energy: -10.462 bonds (distance) P-C4' energy: -15.720 flat angles C4'-P-C4' energy: -18.900 flat angles P-C4'-P energy: -9.559 tors. eta vs tors. theta energy: -19.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -251.564974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.564974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.564974 (E_RNA) where: Base-Base interactions energy: -175.161 where: short stacking energy: -94.147 Base-Backbone interact. energy: 1.763 local terms energy: -78.167412 where: bonds (distance) C4'-P energy: -13.900 bonds (distance) P-C4' energy: -18.799 flat angles C4'-P-C4' energy: -17.808 flat angles P-C4'-P energy: -5.198 tors. eta vs tors. theta energy: -22.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -233.915937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.915937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.915937 (E_RNA) where: Base-Base interactions energy: -151.905 where: short stacking energy: -76.741 Base-Backbone interact. energy: -0.188 local terms energy: -81.823024 where: bonds (distance) C4'-P energy: -17.986 bonds (distance) P-C4' energy: -15.266 flat angles C4'-P-C4' energy: -17.088 flat angles P-C4'-P energy: -10.273 tors. eta vs tors. theta energy: -21.209 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: 6, replica: 2 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -222.980685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.980685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.980685 (E_RNA) where: Base-Base interactions energy: -145.064 where: short stacking energy: -70.660 Base-Backbone interact. energy: -0.003 local terms energy: -77.913775 where: bonds (distance) C4'-P energy: -19.539 bonds (distance) P-C4' energy: -18.802 flat angles C4'-P-C4' energy: -19.199 flat angles P-C4'-P energy: -6.119 tors. eta vs tors. theta energy: -14.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -222.476614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.476614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.476614 (E_RNA) where: Base-Base interactions energy: -148.814 where: short stacking energy: -70.823 Base-Backbone interact. energy: -1.641 local terms energy: -72.020837 where: bonds (distance) C4'-P energy: -16.892 bonds (distance) P-C4' energy: -14.944 flat angles C4'-P-C4' energy: -13.674 flat angles P-C4'-P energy: -9.411 tors. eta vs tors. theta energy: -17.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -206.560931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.560931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.560931 (E_RNA) where: Base-Base interactions energy: -143.120 where: short stacking energy: -64.478 Base-Backbone interact. energy: -1.408 local terms energy: -62.033545 where: bonds (distance) C4'-P energy: -14.120 bonds (distance) P-C4' energy: -9.898 flat angles C4'-P-C4' energy: -11.891 flat angles P-C4'-P energy: -11.888 tors. eta vs tors. theta energy: -14.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -207.785409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.785409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.785409 (E_RNA) where: Base-Base interactions energy: -142.036 where: short stacking energy: -61.780 Base-Backbone interact. energy: -0.105 local terms energy: -65.644211 where: bonds (distance) C4'-P energy: -5.592 bonds (distance) P-C4' energy: -15.693 flat angles C4'-P-C4' energy: -18.185 flat angles P-C4'-P energy: -10.799 tors. eta vs tors. theta energy: -15.375 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: 266 Temperature: 1.350000 Total energy: -194.721681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.721681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.721681 (E_RNA) where: Base-Base interactions energy: -124.449 where: short stacking energy: -56.536 Base-Backbone interact. energy: 1.187 local terms energy: -71.459696 where: bonds (distance) C4'-P energy: -14.195 bonds (distance) P-C4' energy: -15.218 flat angles C4'-P-C4' energy: -21.150 flat angles P-C4'-P energy: -9.785 tors. eta vs tors. theta energy: -11.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -289.537801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.537801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.537801 (E_RNA) where: Base-Base interactions energy: -213.208 where: short stacking energy: -85.557 Base-Backbone interact. energy: -0.237 local terms energy: -76.092435 where: bonds (distance) C4'-P energy: -13.872 bonds (distance) P-C4' energy: -14.749 flat angles C4'-P-C4' energy: -20.425 flat angles P-C4'-P energy: -8.550 tors. eta vs tors. theta energy: -18.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -288.781170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.781170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.781170 (E_RNA) where: Base-Base interactions energy: -206.984 where: short stacking energy: -94.134 Base-Backbone interact. energy: 0.254 local terms energy: -82.050574 where: bonds (distance) C4'-P energy: -14.852 bonds (distance) P-C4' energy: -17.498 flat angles C4'-P-C4' energy: -19.337 flat angles P-C4'-P energy: -12.862 tors. eta vs tors. theta energy: -17.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -272.629562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.629562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.629562 (E_RNA) where: Base-Base interactions energy: -190.628 where: short stacking energy: -79.208 Base-Backbone interact. energy: -0.057 local terms energy: -81.944525 where: bonds (distance) C4'-P energy: -16.629 bonds (distance) P-C4' energy: -20.081 flat angles C4'-P-C4' energy: -16.712 flat angles P-C4'-P energy: -8.790 tors. eta vs tors. theta energy: -19.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -238.806843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.806843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.806843 (E_RNA) where: Base-Base interactions energy: -159.374 where: short stacking energy: -85.748 Base-Backbone interact. energy: -0.318 local terms energy: -79.115560 where: bonds (distance) C4'-P energy: -15.743 bonds (distance) P-C4' energy: -17.104 flat angles C4'-P-C4' energy: -19.201 flat angles P-C4'-P energy: -8.054 tors. eta vs tors. theta energy: -19.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -237.143436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.143436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.143436 (E_RNA) where: Base-Base interactions energy: -154.246 where: short stacking energy: -71.653 Base-Backbone interact. energy: -0.334 local terms energy: -82.563512 where: bonds (distance) C4'-P energy: -15.345 bonds (distance) P-C4' energy: -18.654 flat angles C4'-P-C4' energy: -16.099 flat angles P-C4'-P energy: -11.573 tors. eta vs tors. theta energy: -20.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -248.273072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.273072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.273072 (E_RNA) where: Base-Base interactions energy: -172.093 where: short stacking energy: -79.670 Base-Backbone interact. energy: -0.102 local terms energy: -76.078064 where: bonds (distance) C4'-P energy: -11.448 bonds (distance) P-C4' energy: -15.937 flat angles C4'-P-C4' energy: -17.802 flat angles P-C4'-P energy: -10.361 tors. eta vs tors. theta energy: -20.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -217.938194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.938194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.938194 (E_RNA) where: Base-Base interactions energy: -145.196 where: short stacking energy: -67.673 Base-Backbone interact. energy: -0.052 local terms energy: -72.690440 where: bonds (distance) C4'-P energy: -11.627 bonds (distance) P-C4' energy: -18.418 flat angles C4'-P-C4' energy: -17.080 flat angles P-C4'-P energy: -11.833 tors. eta vs tors. theta energy: -13.733 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: 10 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -206.027094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.027094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.027094 (E_RNA) where: Base-Base interactions energy: -143.545 where: short stacking energy: -72.914 Base-Backbone interact. energy: 0.460 local terms energy: -62.942034 where: bonds (distance) C4'-P energy: -14.388 bonds (distance) P-C4' energy: -9.914 flat angles C4'-P-C4' energy: -17.472 flat angles P-C4'-P energy: -5.770 tors. eta vs tors. theta energy: -15.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -204.256649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.256649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.256649 (E_RNA) where: Base-Base interactions energy: -136.611 where: short stacking energy: -65.287 Base-Backbone interact. energy: -0.022 local terms energy: -67.624069 where: bonds (distance) C4'-P energy: -15.871 bonds (distance) P-C4' energy: -12.896 flat angles C4'-P-C4' energy: -16.854 flat angles P-C4'-P energy: -7.131 tors. eta vs tors. theta energy: -14.872 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: 1 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -197.003507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.003507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.003507 (E_RNA) where: Base-Base interactions energy: -128.107 where: short stacking energy: -49.568 Base-Backbone interact. energy: -0.111 local terms energy: -68.785492 where: bonds (distance) C4'-P energy: -16.387 bonds (distance) P-C4' energy: -16.779 flat angles C4'-P-C4' energy: -16.845 flat angles P-C4'-P energy: -8.221 tors. eta vs tors. theta energy: -10.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -289.906967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.906967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.906967 (E_RNA) where: Base-Base interactions energy: -206.824 where: short stacking energy: -99.295 Base-Backbone interact. energy: 0.116 local terms energy: -83.198717 where: bonds (distance) C4'-P energy: -16.372 bonds (distance) P-C4' energy: -17.360 flat angles C4'-P-C4' energy: -16.700 flat angles P-C4'-P energy: -10.784 tors. eta vs tors. theta energy: -21.983 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: 7 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -282.134768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.134768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.134768 (E_RNA) where: Base-Base interactions energy: -199.427 where: short stacking energy: -80.896 Base-Backbone interact. energy: -0.465 local terms energy: -82.242251 where: bonds (distance) C4'-P energy: -15.677 bonds (distance) P-C4' energy: -20.438 flat angles C4'-P-C4' energy: -17.372 flat angles P-C4'-P energy: -9.170 tors. eta vs tors. theta energy: -19.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -248.019802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.019802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.019802 (E_RNA) where: Base-Base interactions energy: -167.613 where: short stacking energy: -72.027 Base-Backbone interact. energy: -1.002 local terms energy: -79.404292 where: bonds (distance) C4'-P energy: -16.884 bonds (distance) P-C4' energy: -17.266 flat angles C4'-P-C4' energy: -18.156 flat angles P-C4'-P energy: -9.262 tors. eta vs tors. theta energy: -17.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -262.189060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.189060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.189060 (E_RNA) where: Base-Base interactions energy: -183.507 where: short stacking energy: -82.257 Base-Backbone interact. energy: 0.047 local terms energy: -78.728930 where: bonds (distance) C4'-P energy: -14.877 bonds (distance) P-C4' energy: -15.752 flat angles C4'-P-C4' energy: -17.330 flat angles P-C4'-P energy: -11.325 tors. eta vs tors. theta energy: -19.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -243.212502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.212502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.212502 (E_RNA) where: Base-Base interactions energy: -161.343 where: short stacking energy: -82.708 Base-Backbone interact. energy: -0.641 local terms energy: -81.228590 where: bonds (distance) C4'-P energy: -18.112 bonds (distance) P-C4' energy: -15.447 flat angles C4'-P-C4' energy: -17.622 flat angles P-C4'-P energy: -9.653 tors. eta vs tors. theta energy: -20.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -228.614250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.614250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.614250 (E_RNA) where: Base-Base interactions energy: -149.383 where: short stacking energy: -69.839 Base-Backbone interact. energy: -0.883 local terms energy: -78.348081 where: bonds (distance) C4'-P energy: -17.659 bonds (distance) P-C4' energy: -18.402 flat angles C4'-P-C4' energy: -16.697 flat angles P-C4'-P energy: -10.151 tors. eta vs tors. theta energy: -15.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -213.993455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.993455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.993455 (E_RNA) where: Base-Base interactions energy: -141.744 where: short stacking energy: -68.698 Base-Backbone interact. energy: -0.302 local terms energy: -71.947399 where: bonds (distance) C4'-P energy: -16.433 bonds (distance) P-C4' energy: -18.886 flat angles C4'-P-C4' energy: -14.977 flat angles P-C4'-P energy: -6.997 tors. eta vs tors. theta energy: -14.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -213.752664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.752664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.752664 (E_RNA) where: Base-Base interactions energy: -151.379 where: short stacking energy: -76.866 Base-Backbone interact. energy: -0.039 local terms energy: -62.334089 where: bonds (distance) C4'-P energy: -13.831 bonds (distance) P-C4' energy: -14.161 flat angles C4'-P-C4' energy: -8.588 flat angles P-C4'-P energy: -6.612 tors. eta vs tors. theta energy: -19.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -205.283616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.283616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.283616 (E_RNA) where: Base-Base interactions energy: -141.013 where: short stacking energy: -57.208 Base-Backbone interact. energy: -0.539 local terms energy: -63.731104 where: bonds (distance) C4'-P energy: -11.607 bonds (distance) P-C4' energy: -15.321 flat angles C4'-P-C4' energy: -15.285 flat angles P-C4'-P energy: -7.241 tors. eta vs tors. theta energy: -14.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -196.403153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.403153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.403153 (E_RNA) where: Base-Base interactions energy: -131.149 where: short stacking energy: -56.947 Base-Backbone interact. energy: -0.291 local terms energy: -64.963545 where: bonds (distance) C4'-P energy: -7.832 bonds (distance) P-C4' energy: -18.637 flat angles C4'-P-C4' energy: -16.529 flat angles P-C4'-P energy: -11.765 tors. eta vs tors. theta energy: -10.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -295.928818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.928818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.928818 (E_RNA) where: Base-Base interactions energy: -212.540 where: short stacking energy: -93.290 Base-Backbone interact. energy: -0.196 local terms energy: -83.192566 where: bonds (distance) C4'-P energy: -15.398 bonds (distance) P-C4' energy: -16.337 flat angles C4'-P-C4' energy: -18.786 flat angles P-C4'-P energy: -11.080 tors. eta vs tors. theta energy: -21.592 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: 7 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -284.621911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.621911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.621911 (E_RNA) where: Base-Base interactions energy: -200.949 where: short stacking energy: -89.931 Base-Backbone interact. energy: -1.201 local terms energy: -82.472029 where: bonds (distance) C4'-P energy: -15.750 bonds (distance) P-C4' energy: -15.259 flat angles C4'-P-C4' energy: -17.851 flat angles P-C4'-P energy: -12.696 tors. eta vs tors. theta energy: -20.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -254.434028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.434028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.434028 (E_RNA) where: Base-Base interactions energy: -176.807 where: short stacking energy: -92.919 Base-Backbone interact. energy: -0.307 local terms energy: -77.319915 where: bonds (distance) C4'-P energy: -12.120 bonds (distance) P-C4' energy: -14.462 flat angles C4'-P-C4' energy: -18.391 flat angles P-C4'-P energy: -9.804 tors. eta vs tors. theta energy: -22.543 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: 6 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -273.642241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.642241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.642241 (E_RNA) where: Base-Base interactions energy: -187.417 where: short stacking energy: -80.806 Base-Backbone interact. energy: -1.430 local terms energy: -84.794466 where: bonds (distance) C4'-P energy: -17.367 bonds (distance) P-C4' energy: -22.073 flat angles C4'-P-C4' energy: -16.416 flat angles P-C4'-P energy: -12.536 tors. eta vs tors. theta energy: -16.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -227.404982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.404982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.404982 (E_RNA) where: Base-Base interactions energy: -159.012 where: short stacking energy: -77.665 Base-Backbone interact. energy: -0.404 local terms energy: -67.988907 where: bonds (distance) C4'-P energy: -10.159 bonds (distance) P-C4' energy: -11.586 flat angles C4'-P-C4' energy: -21.168 flat angles P-C4'-P energy: -8.007 tors. eta vs tors. theta energy: -17.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -222.608345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.608345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.608345 (E_RNA) where: Base-Base interactions energy: -148.827 where: short stacking energy: -73.862 Base-Backbone interact. energy: -0.030 local terms energy: -73.751439 where: bonds (distance) C4'-P energy: -13.035 bonds (distance) P-C4' energy: -16.318 flat angles C4'-P-C4' energy: -16.708 flat angles P-C4'-P energy: -10.923 tors. eta vs tors. theta energy: -16.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -219.097275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.097275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.097275 (E_RNA) where: Base-Base interactions energy: -152.659 where: short stacking energy: -70.341 Base-Backbone interact. energy: -0.159 local terms energy: -66.278972 where: bonds (distance) C4'-P energy: -14.005 bonds (distance) P-C4' energy: -13.838 flat angles C4'-P-C4' energy: -17.521 flat angles P-C4'-P energy: -9.143 tors. eta vs tors. theta energy: -11.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -205.711830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.711830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.711830 (E_RNA) where: Base-Base interactions energy: -139.180 where: short stacking energy: -68.347 Base-Backbone interact. energy: -0.271 local terms energy: -66.261062 where: bonds (distance) C4'-P energy: -10.799 bonds (distance) P-C4' energy: -13.279 flat angles C4'-P-C4' energy: -18.404 flat angles P-C4'-P energy: -7.519 tors. eta vs tors. theta energy: -16.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -218.944072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.944072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.944072 (E_RNA) where: Base-Base interactions energy: -145.236 where: short stacking energy: -64.500 Base-Backbone interact. energy: -0.110 local terms energy: -73.597924 where: bonds (distance) C4'-P energy: -17.373 bonds (distance) P-C4' energy: -12.120 flat angles C4'-P-C4' energy: -17.827 flat angles P-C4'-P energy: -11.025 tors. eta vs tors. theta energy: -15.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -198.331169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.331169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.331169 (E_RNA) where: Base-Base interactions energy: -128.456 where: short stacking energy: -61.620 Base-Backbone interact. energy: -0.034 local terms energy: -69.841827 where: bonds (distance) C4'-P energy: -12.891 bonds (distance) P-C4' energy: -14.154 flat angles C4'-P-C4' energy: -16.762 flat angles P-C4'-P energy: -11.784 tors. eta vs tors. theta energy: -14.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -295.019166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.019166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.019166 (E_RNA) where: Base-Base interactions energy: -209.010 where: short stacking energy: -88.390 Base-Backbone interact. energy: -0.837 local terms energy: -85.172099 where: bonds (distance) C4'-P energy: -15.493 bonds (distance) P-C4' energy: -18.399 flat angles C4'-P-C4' energy: -18.527 flat angles P-C4'-P energy: -11.942 tors. eta vs tors. theta energy: -20.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -284.614774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.614774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.614774 (E_RNA) where: Base-Base interactions energy: -201.000 where: short stacking energy: -89.723 Base-Backbone interact. energy: -0.493 local terms energy: -83.122219 where: bonds (distance) C4'-P energy: -15.689 bonds (distance) P-C4' energy: -14.685 flat angles C4'-P-C4' energy: -19.206 flat angles P-C4'-P energy: -12.875 tors. eta vs tors. theta energy: -20.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -270.024433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.024433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.024433 (E_RNA) where: Base-Base interactions energy: -192.125 where: short stacking energy: -82.163 Base-Backbone interact. energy: -0.406 local terms energy: -77.493191 where: bonds (distance) C4'-P energy: -17.042 bonds (distance) P-C4' energy: -15.563 flat angles C4'-P-C4' energy: -18.185 flat angles P-C4'-P energy: -11.131 tors. eta vs tors. theta energy: -15.572 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: 4, replica: 9 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -242.693848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.693848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.693848 (E_RNA) where: Base-Base interactions energy: -171.665 where: short stacking energy: -80.596 Base-Backbone interact. energy: 0.623 local terms energy: -71.651106 where: bonds (distance) C4'-P energy: -11.523 bonds (distance) P-C4' energy: -12.276 flat angles C4'-P-C4' energy: -17.824 flat angles P-C4'-P energy: -10.613 tors. eta vs tors. theta energy: -19.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -221.157810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.157810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.157810 (E_RNA) where: Base-Base interactions energy: -153.692 where: short stacking energy: -69.239 Base-Backbone interact. energy: -0.077 local terms energy: -67.389012 where: bonds (distance) C4'-P energy: -10.513 bonds (distance) P-C4' energy: -12.968 flat angles C4'-P-C4' energy: -17.322 flat angles P-C4'-P energy: -10.550 tors. eta vs tors. theta energy: -16.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -236.370593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.370593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.370593 (E_RNA) where: Base-Base interactions energy: -158.778 where: short stacking energy: -80.956 Base-Backbone interact. energy: -0.389 local terms energy: -77.203341 where: bonds (distance) C4'-P energy: -17.825 bonds (distance) P-C4' energy: -17.215 flat angles C4'-P-C4' energy: -15.937 flat angles P-C4'-P energy: -7.389 tors. eta vs tors. theta energy: -18.837 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: 7, replica: 1 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -214.665545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.665545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.665545 (E_RNA) where: Base-Base interactions energy: -137.998 where: short stacking energy: -61.497 Base-Backbone interact. energy: 1.006 local terms energy: -77.673926 where: bonds (distance) C4'-P energy: -16.957 bonds (distance) P-C4' energy: -17.142 flat angles C4'-P-C4' energy: -17.916 flat angles P-C4'-P energy: -10.548 tors. eta vs tors. theta energy: -15.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -203.901816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.901816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.901816 (E_RNA) where: Base-Base interactions energy: -140.451 where: short stacking energy: -68.604 Base-Backbone interact. energy: -0.306 local terms energy: -63.144683 where: bonds (distance) C4'-P energy: -11.883 bonds (distance) P-C4' energy: -15.015 flat angles C4'-P-C4' energy: -10.651 flat angles P-C4'-P energy: -11.466 tors. eta vs tors. theta energy: -14.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -190.811017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.811017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.811017 (E_RNA) where: Base-Base interactions energy: -119.722 where: short stacking energy: -64.601 Base-Backbone interact. energy: -0.002 local terms energy: -71.087425 where: bonds (distance) C4'-P energy: -13.140 bonds (distance) P-C4' energy: -20.377 flat angles C4'-P-C4' energy: -15.086 flat angles P-C4'-P energy: -13.601 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: 10, replica: 2 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -201.072050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.072050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.072050 (E_RNA) where: Base-Base interactions energy: -135.274 where: short stacking energy: -69.641 Base-Backbone interact. energy: -0.056 local terms energy: -65.742075 where: bonds (distance) C4'-P energy: -9.983 bonds (distance) P-C4' energy: -15.450 flat angles C4'-P-C4' energy: -16.092 flat angles P-C4'-P energy: -7.752 tors. eta vs tors. theta energy: -16.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -297.138969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.138969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.138969 (E_RNA) where: Base-Base interactions energy: -208.643 where: short stacking energy: -96.383 Base-Backbone interact. energy: -1.289 local terms energy: -87.207504 where: bonds (distance) C4'-P energy: -15.978 bonds (distance) P-C4' energy: -17.686 flat angles C4'-P-C4' energy: -19.941 flat angles P-C4'-P energy: -10.539 tors. eta vs tors. theta energy: -23.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -288.715173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.715173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.715173 (E_RNA) where: Base-Base interactions energy: -201.278 where: short stacking energy: -85.732 Base-Backbone interact. energy: -2.103 local terms energy: -85.333898 where: bonds (distance) C4'-P energy: -13.838 bonds (distance) P-C4' energy: -16.306 flat angles C4'-P-C4' energy: -20.229 flat angles P-C4'-P energy: -11.816 tors. eta vs tors. theta energy: -23.145 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: 3 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -281.815035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.815035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.815035 (E_RNA) where: Base-Base interactions energy: -201.408 where: short stacking energy: -85.539 Base-Backbone interact. energy: -0.775 local terms energy: -79.631153 where: bonds (distance) C4'-P energy: -14.997 bonds (distance) P-C4' energy: -14.888 flat angles C4'-P-C4' energy: -20.250 flat angles P-C4'-P energy: -9.385 tors. eta vs tors. theta energy: -20.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -239.163774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.163774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.163774 (E_RNA) where: Base-Base interactions energy: -159.921 where: short stacking energy: -84.487 Base-Backbone interact. energy: -0.343 local terms energy: -78.899625 where: bonds (distance) C4'-P energy: -17.966 bonds (distance) P-C4' energy: -12.812 flat angles C4'-P-C4' energy: -19.335 flat angles P-C4'-P energy: -6.635 tors. eta vs tors. theta energy: -22.152 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: 9 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -236.757550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.757550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.757550 (E_RNA) where: Base-Base interactions energy: -161.564 where: short stacking energy: -74.110 Base-Backbone interact. energy: 0.383 local terms energy: -75.576316 where: bonds (distance) C4'-P energy: -17.985 bonds (distance) P-C4' energy: -11.669 flat angles C4'-P-C4' energy: -16.399 flat angles P-C4'-P energy: -10.393 tors. eta vs tors. theta energy: -19.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -228.805292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.805292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.805292 (E_RNA) where: Base-Base interactions energy: -158.800 where: short stacking energy: -77.981 Base-Backbone interact. energy: -0.256 local terms energy: -69.749609 where: bonds (distance) C4'-P energy: -8.907 bonds (distance) P-C4' energy: -20.281 flat angles C4'-P-C4' energy: -7.589 flat angles P-C4'-P energy: -10.993 tors. eta vs tors. theta energy: -21.980 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: 8 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -222.909845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.909845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.909845 (E_RNA) where: Base-Base interactions energy: -150.191 where: short stacking energy: -79.441 Base-Backbone interact. energy: -0.472 local terms energy: -72.247126 where: bonds (distance) C4'-P energy: -13.375 bonds (distance) P-C4' energy: -17.372 flat angles C4'-P-C4' energy: -13.545 flat angles P-C4'-P energy: -11.212 tors. eta vs tors. theta energy: -16.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -180.080880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.080880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.080880 (E_RNA) where: Base-Base interactions energy: -110.033 where: short stacking energy: -52.409 Base-Backbone interact. energy: -1.116 local terms energy: -68.932307 where: bonds (distance) C4'-P energy: -13.250 bonds (distance) P-C4' energy: -17.498 flat angles C4'-P-C4' energy: -15.033 flat angles P-C4'-P energy: -12.432 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: 9, replica: 5 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -179.796745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.796745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.796745 (E_RNA) where: Base-Base interactions energy: -121.293 where: short stacking energy: -74.050 Base-Backbone interact. energy: 2.279 local terms energy: -60.783012 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -16.239 flat angles C4'-P-C4' energy: -15.423 flat angles P-C4'-P energy: -8.284 tors. eta vs tors. theta energy: -12.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -203.386515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.386515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.386515 (E_RNA) where: Base-Base interactions energy: -138.098 where: short stacking energy: -65.205 Base-Backbone interact. energy: -0.145 local terms energy: -65.144386 where: bonds (distance) C4'-P energy: -11.664 bonds (distance) P-C4' energy: -15.518 flat angles C4'-P-C4' energy: -11.647 flat angles P-C4'-P energy: -9.929 tors. eta vs tors. theta energy: -16.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -288.391402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.391402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.391402 (E_RNA) where: Base-Base interactions energy: -209.460 where: short stacking energy: -81.527 Base-Backbone interact. energy: -1.200 local terms energy: -77.731824 where: bonds (distance) C4'-P energy: -13.175 bonds (distance) P-C4' energy: -18.040 flat angles C4'-P-C4' energy: -19.129 flat angles P-C4'-P energy: -7.986 tors. eta vs tors. theta energy: -19.402 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: 6 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -280.406291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.406291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.406291 (E_RNA) where: Base-Base interactions energy: -202.882 where: short stacking energy: -88.626 Base-Backbone interact. energy: -0.196 local terms energy: -77.327411 where: bonds (distance) C4'-P energy: -13.854 bonds (distance) P-C4' energy: -17.438 flat angles C4'-P-C4' energy: -18.523 flat angles P-C4'-P energy: -7.639 tors. eta vs tors. theta energy: -19.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -286.264593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.264593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.264593 (E_RNA) where: Base-Base interactions energy: -206.928 where: short stacking energy: -91.008 Base-Backbone interact. energy: 1.516 local terms energy: -80.852508 where: bonds (distance) C4'-P energy: -17.391 bonds (distance) P-C4' energy: -17.996 flat angles C4'-P-C4' energy: -13.385 flat angles P-C4'-P energy: -11.069 tors. eta vs tors. theta energy: -21.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -245.293061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.293061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.293061 (E_RNA) where: Base-Base interactions energy: -163.097 where: short stacking energy: -82.182 Base-Backbone interact. energy: -0.238 local terms energy: -81.957951 where: bonds (distance) C4'-P energy: -20.222 bonds (distance) P-C4' energy: -19.064 flat angles C4'-P-C4' energy: -15.956 flat angles P-C4'-P energy: -8.653 tors. eta vs tors. theta energy: -18.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -247.943533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.943533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.943533 (E_RNA) where: Base-Base interactions energy: -163.339 where: short stacking energy: -85.490 Base-Backbone interact. energy: -0.302 local terms energy: -84.302743 where: bonds (distance) C4'-P energy: -18.525 bonds (distance) P-C4' energy: -15.942 flat angles C4'-P-C4' energy: -17.045 flat angles P-C4'-P energy: -11.626 tors. eta vs tors. theta energy: -21.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -219.831480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.831480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.831480 (E_RNA) where: Base-Base interactions energy: -153.528 where: short stacking energy: -73.495 Base-Backbone interact. energy: -0.122 local terms energy: -66.181146 where: bonds (distance) C4'-P energy: -9.584 bonds (distance) P-C4' energy: -14.413 flat angles C4'-P-C4' energy: -19.002 flat angles P-C4'-P energy: -8.470 tors. eta vs tors. theta energy: -14.711 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: 8 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -212.329951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.329951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.329951 (E_RNA) where: Base-Base interactions energy: -140.990 where: short stacking energy: -67.833 Base-Backbone interact. energy: -0.020 local terms energy: -71.319862 where: bonds (distance) C4'-P energy: -17.867 bonds (distance) P-C4' energy: -14.688 flat angles C4'-P-C4' energy: -16.331 flat angles P-C4'-P energy: -9.554 tors. eta vs tors. theta energy: -12.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -214.826301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.826301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.826301 (E_RNA) where: Base-Base interactions energy: -143.374 where: short stacking energy: -79.085 Base-Backbone interact. energy: -0.020 local terms energy: -71.432145 where: bonds (distance) C4'-P energy: -15.207 bonds (distance) P-C4' energy: -18.308 flat angles C4'-P-C4' energy: -17.591 flat angles P-C4'-P energy: -5.840 tors. eta vs tors. theta energy: -14.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -204.561591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.561591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.561591 (E_RNA) where: Base-Base interactions energy: -140.332 where: short stacking energy: -69.424 Base-Backbone interact. energy: -0.426 local terms energy: -63.802961 where: bonds (distance) C4'-P energy: -13.394 bonds (distance) P-C4' energy: -9.437 flat angles C4'-P-C4' energy: -17.378 flat angles P-C4'-P energy: -6.056 tors. eta vs tors. theta energy: -17.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -200.053380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.053380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.053380 (E_RNA) where: Base-Base interactions energy: -131.537 where: short stacking energy: -61.125 Base-Backbone interact. energy: -0.041 local terms energy: -68.475522 where: bonds (distance) C4'-P energy: -16.433 bonds (distance) P-C4' energy: -16.793 flat angles C4'-P-C4' energy: -14.142 flat angles P-C4'-P energy: -11.962 tors. eta vs tors. theta energy: -9.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -295.052755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.052755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.052755 (E_RNA) where: Base-Base interactions energy: -207.417 where: short stacking energy: -96.410 Base-Backbone interact. energy: -0.391 local terms energy: -87.244273 where: bonds (distance) C4'-P energy: -17.390 bonds (distance) P-C4' energy: -19.933 flat angles C4'-P-C4' energy: -19.854 flat angles P-C4'-P energy: -6.994 tors. eta vs tors. theta energy: -23.074 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: 2, replica: 3 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -291.988103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.988103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.988103 (E_RNA) where: Base-Base interactions energy: -200.984 where: short stacking energy: -89.638 Base-Backbone interact. energy: -2.629 local terms energy: -88.375125 where: bonds (distance) C4'-P energy: -16.841 bonds (distance) P-C4' energy: -18.374 flat angles C4'-P-C4' energy: -18.789 flat angles P-C4'-P energy: -12.060 tors. eta vs tors. theta energy: -22.311 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: 6 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -274.021476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.021476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.021476 (E_RNA) where: Base-Base interactions energy: -191.891 where: short stacking energy: -82.514 Base-Backbone interact. energy: -0.626 local terms energy: -81.504256 where: bonds (distance) C4'-P energy: -18.182 bonds (distance) P-C4' energy: -15.140 flat angles C4'-P-C4' energy: -15.626 flat angles P-C4'-P energy: -13.245 tors. eta vs tors. theta energy: -19.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -242.029164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.029164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.029164 (E_RNA) where: Base-Base interactions energy: -159.801 where: short stacking energy: -79.590 Base-Backbone interact. energy: -0.515 local terms energy: -81.713698 where: bonds (distance) C4'-P energy: -17.216 bonds (distance) P-C4' energy: -15.273 flat angles C4'-P-C4' energy: -15.370 flat angles P-C4'-P energy: -12.552 tors. eta vs tors. theta energy: -21.302 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: 10 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -226.438088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.438088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.438088 (E_RNA) where: Base-Base interactions energy: -152.486 where: short stacking energy: -73.238 Base-Backbone interact. energy: -0.117 local terms energy: -73.835058 where: bonds (distance) C4'-P energy: -14.227 bonds (distance) P-C4' energy: -14.471 flat angles C4'-P-C4' energy: -18.924 flat angles P-C4'-P energy: -12.674 tors. eta vs tors. theta energy: -13.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -216.921907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.921907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.921907 (E_RNA) where: Base-Base interactions energy: -156.232 where: short stacking energy: -76.461 Base-Backbone interact. energy: 0.352 local terms energy: -61.041884 where: bonds (distance) C4'-P energy: -9.918 bonds (distance) P-C4' energy: -16.784 flat angles C4'-P-C4' energy: -13.573 flat angles P-C4'-P energy: -8.183 tors. eta vs tors. theta energy: -12.584 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: 1 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -226.514737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.514737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.514737 (E_RNA) where: Base-Base interactions energy: -157.379 where: short stacking energy: -78.686 Base-Backbone interact. energy: 0.269 local terms energy: -69.404159 where: bonds (distance) C4'-P energy: -15.006 bonds (distance) P-C4' energy: -16.786 flat angles C4'-P-C4' energy: -15.760 flat angles P-C4'-P energy: -6.127 tors. eta vs tors. theta energy: -15.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -221.002756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.002756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.002756 (E_RNA) where: Base-Base interactions energy: -146.053 where: short stacking energy: -63.983 Base-Backbone interact. energy: -0.240 local terms energy: -74.709529 where: bonds (distance) C4'-P energy: -19.361 bonds (distance) P-C4' energy: -15.952 flat angles C4'-P-C4' energy: -15.907 flat angles P-C4'-P energy: -6.941 tors. eta vs tors. theta energy: -16.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -196.605799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.605799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.605799 (E_RNA) where: Base-Base interactions energy: -126.740 where: short stacking energy: -68.448 Base-Backbone interact. energy: -0.021 local terms energy: -69.844216 where: bonds (distance) C4'-P energy: -15.191 bonds (distance) P-C4' energy: -12.220 flat angles C4'-P-C4' energy: -12.981 flat angles P-C4'-P energy: -12.420 tors. eta vs tors. theta energy: -17.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -201.212824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.212824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.212824 (E_RNA) where: Base-Base interactions energy: -137.765 where: short stacking energy: -50.724 Base-Backbone interact. energy: -0.873 local terms energy: -62.574139 where: bonds (distance) C4'-P energy: -15.453 bonds (distance) P-C4' energy: -12.612 flat angles C4'-P-C4' energy: -14.613 flat angles P-C4'-P energy: -10.207 tors. eta vs tors. theta energy: -9.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -291.654717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.654717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.654717 (E_RNA) where: Base-Base interactions energy: -206.250 where: short stacking energy: -87.865 Base-Backbone interact. energy: -2.389 local terms energy: -83.016110 where: bonds (distance) C4'-P energy: -18.011 bonds (distance) P-C4' energy: -18.614 flat angles C4'-P-C4' energy: -15.617 flat angles P-C4'-P energy: -8.306 tors. eta vs tors. theta energy: -22.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -292.979236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.979236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.979236 (E_RNA) where: Base-Base interactions energy: -205.637 where: short stacking energy: -90.962 Base-Backbone interact. energy: -0.228 local terms energy: -87.114728 where: bonds (distance) C4'-P energy: -18.972 bonds (distance) P-C4' energy: -14.482 flat angles C4'-P-C4' energy: -20.700 flat angles P-C4'-P energy: -10.514 tors. eta vs tors. theta energy: -22.447 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: 3, replica: 6 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -279.897067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.897067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.897067 (E_RNA) where: Base-Base interactions energy: -199.389 where: short stacking energy: -85.067 Base-Backbone interact. energy: -2.877 local terms energy: -77.631955 where: bonds (distance) C4'-P energy: -10.907 bonds (distance) P-C4' energy: -16.691 flat angles C4'-P-C4' energy: -16.190 flat angles P-C4'-P energy: -9.178 tors. eta vs tors. theta energy: -24.666 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: 9 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -249.622242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.622242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.622242 (E_RNA) where: Base-Base interactions energy: -165.306 where: short stacking energy: -82.872 Base-Backbone interact. energy: -0.197 local terms energy: -84.119529 where: bonds (distance) C4'-P energy: -17.161 bonds (distance) P-C4' energy: -14.907 flat angles C4'-P-C4' energy: -19.060 flat angles P-C4'-P energy: -10.569 tors. eta vs tors. theta energy: -22.422 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: 5, replica: 8 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -222.782563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.782563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.782563 (E_RNA) where: Base-Base interactions energy: -157.855 where: short stacking energy: -73.559 Base-Backbone interact. energy: 0.401 local terms energy: -65.329124 where: bonds (distance) C4'-P energy: -8.217 bonds (distance) P-C4' energy: -16.091 flat angles C4'-P-C4' energy: -17.243 flat angles P-C4'-P energy: -9.406 tors. eta vs tors. theta energy: -14.372 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: 6, replica: 10 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -223.692653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.692653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.692653 (E_RNA) where: Base-Base interactions energy: -151.655 where: short stacking energy: -66.646 Base-Backbone interact. energy: -0.735 local terms energy: -71.302492 where: bonds (distance) C4'-P energy: -14.910 bonds (distance) P-C4' energy: -17.501 flat angles C4'-P-C4' energy: -18.164 flat angles P-C4'-P energy: -6.585 tors. eta vs tors. theta energy: -14.143 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: 7, replica: 5 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -210.829025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.829025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.829025 (E_RNA) where: Base-Base interactions energy: -137.909 where: short stacking energy: -58.109 Base-Backbone interact. energy: -0.227 local terms energy: -72.692915 where: bonds (distance) C4'-P energy: -15.303 bonds (distance) P-C4' energy: -17.115 flat angles C4'-P-C4' energy: -17.678 flat angles P-C4'-P energy: -11.410 tors. eta vs tors. theta energy: -11.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -226.584411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.584411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.584411 (E_RNA) where: Base-Base interactions energy: -158.019 where: short stacking energy: -72.747 Base-Backbone interact. energy: -0.463 local terms energy: -68.102180 where: bonds (distance) C4'-P energy: -17.431 bonds (distance) P-C4' energy: -11.392 flat angles C4'-P-C4' energy: -13.422 flat angles P-C4'-P energy: -8.900 tors. eta vs tors. theta energy: -16.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -219.193688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.193688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.193688 (E_RNA) where: Base-Base interactions energy: -145.063 where: short stacking energy: -72.673 Base-Backbone interact. energy: -0.017 local terms energy: -74.114388 where: bonds (distance) C4'-P energy: -12.016 bonds (distance) P-C4' energy: -16.131 flat angles C4'-P-C4' energy: -15.515 flat angles P-C4'-P energy: -10.369 tors. eta vs tors. theta energy: -20.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -204.926088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.926088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.926088 (E_RNA) where: Base-Base interactions energy: -141.952 where: short stacking energy: -70.680 Base-Backbone interact. energy: -0.129 local terms energy: -62.845727 where: bonds (distance) C4'-P energy: -14.459 bonds (distance) P-C4' energy: -15.082 flat angles C4'-P-C4' energy: -14.541 flat angles P-C4'-P energy: -3.665 tors. eta vs tors. theta energy: -15.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -299.118198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.118198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.118198 (E_RNA) where: Base-Base interactions energy: -206.498 where: short stacking energy: -95.895 Base-Backbone interact. energy: -2.476 local terms energy: -90.144010 where: bonds (distance) C4'-P energy: -18.670 bonds (distance) P-C4' energy: -17.826 flat angles C4'-P-C4' energy: -17.613 flat angles P-C4'-P energy: -11.655 tors. eta vs tors. theta energy: -24.381 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: 6 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -293.176431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.176431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.176431 (E_RNA) where: Base-Base interactions energy: -201.321 where: short stacking energy: -93.580 Base-Backbone interact. energy: -0.730 local terms energy: -91.125284 where: bonds (distance) C4'-P energy: -17.746 bonds (distance) P-C4' energy: -18.570 flat angles C4'-P-C4' energy: -20.311 flat angles P-C4'-P energy: -11.066 tors. eta vs tors. theta energy: -23.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -281.545769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.545769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.545769 (E_RNA) where: Base-Base interactions energy: -193.529 where: short stacking energy: -85.807 Base-Backbone interact. energy: -1.513 local terms energy: -86.503854 where: bonds (distance) C4'-P energy: -20.279 bonds (distance) P-C4' energy: -19.886 flat angles C4'-P-C4' energy: -20.843 flat angles P-C4'-P energy: -3.707 tors. eta vs tors. theta energy: -21.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -248.799070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.799070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.799070 (E_RNA) where: Base-Base interactions energy: -167.614 where: short stacking energy: -92.817 Base-Backbone interact. energy: -0.408 local terms energy: -80.777215 where: bonds (distance) C4'-P energy: -15.929 bonds (distance) P-C4' energy: -16.207 flat angles C4'-P-C4' energy: -16.636 flat angles P-C4'-P energy: -8.606 tors. eta vs tors. theta energy: -23.400 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: 9 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -230.812744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.812744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.812744 (E_RNA) where: Base-Base interactions energy: -154.158 where: short stacking energy: -79.476 Base-Backbone interact. energy: -0.010 local terms energy: -76.644258 where: bonds (distance) C4'-P energy: -17.752 bonds (distance) P-C4' energy: -14.534 flat angles C4'-P-C4' energy: -8.647 flat angles P-C4'-P energy: -14.791 tors. eta vs tors. theta energy: -20.921 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: 5 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -233.156241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.156241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.156241 (E_RNA) where: Base-Base interactions energy: -158.741 where: short stacking energy: -73.256 Base-Backbone interact. energy: -0.153 local terms energy: -74.261826 where: bonds (distance) C4'-P energy: -15.440 bonds (distance) P-C4' energy: -18.769 flat angles C4'-P-C4' energy: -13.171 flat angles P-C4'-P energy: -8.567 tors. eta vs tors. theta energy: -18.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -208.763535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.763535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.763535 (E_RNA) where: Base-Base interactions energy: -135.417 where: short stacking energy: -62.614 Base-Backbone interact. energy: -0.033 local terms energy: -73.314050 where: bonds (distance) C4'-P energy: -13.644 bonds (distance) P-C4' energy: -17.104 flat angles C4'-P-C4' energy: -18.561 flat angles P-C4'-P energy: -9.926 tors. eta vs tors. theta energy: -14.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -202.769079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.769079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.769079 (E_RNA) where: Base-Base interactions energy: -144.157 where: short stacking energy: -64.829 Base-Backbone interact. energy: 1.668 local terms energy: -60.279959 where: bonds (distance) C4'-P energy: -7.811 bonds (distance) P-C4' energy: -14.087 flat angles C4'-P-C4' energy: -16.519 flat angles P-C4'-P energy: -10.002 tors. eta vs tors. theta energy: -11.861 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: 2 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -206.082258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.082258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.082258 (E_RNA) where: Base-Base interactions energy: -140.906 where: short stacking energy: -62.753 Base-Backbone interact. energy: -1.825 local terms energy: -63.351202 where: bonds (distance) C4'-P energy: -15.580 bonds (distance) P-C4' energy: -15.755 flat angles C4'-P-C4' energy: -13.060 flat angles P-C4'-P energy: -7.073 tors. eta vs tors. theta energy: -11.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -205.149821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.149821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.149821 (E_RNA) where: Base-Base interactions energy: -139.888 where: short stacking energy: -66.746 Base-Backbone interact. energy: -0.427 local terms energy: -64.834946 where: bonds (distance) C4'-P energy: -11.242 bonds (distance) P-C4' energy: -18.040 flat angles C4'-P-C4' energy: -14.641 flat angles P-C4'-P energy: -4.019 tors. eta vs tors. theta energy: -16.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -295.257280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.257280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.257280 (E_RNA) where: Base-Base interactions energy: -208.421 where: short stacking energy: -92.602 Base-Backbone interact. energy: -1.280 local terms energy: -85.556143 where: bonds (distance) C4'-P energy: -16.401 bonds (distance) P-C4' energy: -15.808 flat angles C4'-P-C4' energy: -19.709 flat angles P-C4'-P energy: -8.989 tors. eta vs tors. theta energy: -24.651 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: 2, replica: 3 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -280.114674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.114674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.114674 (E_RNA) where: Base-Base interactions energy: -196.766 where: short stacking energy: -92.274 Base-Backbone interact. energy: 1.200 local terms energy: -84.547954 where: bonds (distance) C4'-P energy: -14.552 bonds (distance) P-C4' energy: -17.632 flat angles C4'-P-C4' energy: -18.179 flat angles P-C4'-P energy: -13.573 tors. eta vs tors. theta energy: -20.613 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: 7 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -280.059302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.059302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.059302 (E_RNA) where: Base-Base interactions energy: -204.245 where: short stacking energy: -85.054 Base-Backbone interact. energy: -1.191 local terms energy: -74.623495 where: bonds (distance) C4'-P energy: -16.654 bonds (distance) P-C4' energy: -12.201 flat angles C4'-P-C4' energy: -16.603 flat angles P-C4'-P energy: -9.029 tors. eta vs tors. theta energy: -20.136 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: 8 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -243.149766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.149766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.149766 (E_RNA) where: Base-Base interactions energy: -167.364 where: short stacking energy: -83.805 Base-Backbone interact. energy: -0.150 local terms energy: -75.635495 where: bonds (distance) C4'-P energy: -18.409 bonds (distance) P-C4' energy: -14.589 flat angles C4'-P-C4' energy: -14.866 flat angles P-C4'-P energy: -8.024 tors. eta vs tors. theta energy: -19.747 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: 5 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -241.398356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.398356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.398356 (E_RNA) where: Base-Base interactions energy: -166.069 where: short stacking energy: -81.799 Base-Backbone interact. energy: -0.102 local terms energy: -75.227086 where: bonds (distance) C4'-P energy: -13.661 bonds (distance) P-C4' energy: -18.048 flat angles C4'-P-C4' energy: -15.988 flat angles P-C4'-P energy: -9.872 tors. eta vs tors. theta energy: -17.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -226.309755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.309755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.309755 (E_RNA) where: Base-Base interactions energy: -149.595 where: short stacking energy: -74.706 Base-Backbone interact. energy: -0.153 local terms energy: -76.561902 where: bonds (distance) C4'-P energy: -15.251 bonds (distance) P-C4' energy: -18.030 flat angles C4'-P-C4' energy: -17.128 flat angles P-C4'-P energy: -8.651 tors. eta vs tors. theta energy: -17.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -213.017789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.017789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.017789 (E_RNA) where: Base-Base interactions energy: -140.722 where: short stacking energy: -68.898 Base-Backbone interact. energy: -0.736 local terms energy: -71.559646 where: bonds (distance) C4'-P energy: -12.884 bonds (distance) P-C4' energy: -14.326 flat angles C4'-P-C4' energy: -19.070 flat angles P-C4'-P energy: -11.000 tors. eta vs tors. theta energy: -14.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -210.775925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.775925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.775925 (E_RNA) where: Base-Base interactions energy: -135.378 where: short stacking energy: -61.150 Base-Backbone interact. energy: -0.254 local terms energy: -75.144101 where: bonds (distance) C4'-P energy: -18.197 bonds (distance) P-C4' energy: -18.583 flat angles C4'-P-C4' energy: -15.381 flat angles P-C4'-P energy: -10.461 tors. eta vs tors. theta energy: -12.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -189.396646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.396646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.396646 (E_RNA) where: Base-Base interactions energy: -126.557 where: short stacking energy: -55.876 Base-Backbone interact. energy: -0.026 local terms energy: -62.813934 where: bonds (distance) C4'-P energy: -10.216 bonds (distance) P-C4' energy: -17.911 flat angles C4'-P-C4' energy: -14.469 flat angles P-C4'-P energy: -7.055 tors. eta vs tors. theta energy: -13.162 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: 10, replica: 2 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -196.899966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.899966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.899966 (E_RNA) where: Base-Base interactions energy: -127.534 where: short stacking energy: -52.674 Base-Backbone interact. energy: 0.942 local terms energy: -70.307668 where: bonds (distance) C4'-P energy: -14.442 bonds (distance) P-C4' energy: -16.452 flat angles C4'-P-C4' energy: -18.567 flat angles P-C4'-P energy: -9.468 tors. eta vs tors. theta energy: -11.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -298.257369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.257369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.257369 (E_RNA) where: Base-Base interactions energy: -211.201 where: short stacking energy: -97.120 Base-Backbone interact. energy: -1.758 local terms energy: -85.298674 where: bonds (distance) C4'-P energy: -16.840 bonds (distance) P-C4' energy: -18.548 flat angles C4'-P-C4' energy: -14.067 flat angles P-C4'-P energy: -13.640 tors. eta vs tors. theta energy: -22.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -292.256664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.256664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.256664 (E_RNA) where: Base-Base interactions energy: -201.214 where: short stacking energy: -85.031 Base-Backbone interact. energy: -1.984 local terms energy: -89.058265 where: bonds (distance) C4'-P energy: -19.333 bonds (distance) P-C4' energy: -18.284 flat angles C4'-P-C4' energy: -16.972 flat angles P-C4'-P energy: -11.411 tors. eta vs tors. theta energy: -23.059 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: 7 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -273.012020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.012020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.012020 (E_RNA) where: Base-Base interactions energy: -190.775 where: short stacking energy: -94.098 Base-Backbone interact. energy: -1.668 local terms energy: -80.569107 where: bonds (distance) C4'-P energy: -14.893 bonds (distance) P-C4' energy: -17.818 flat angles C4'-P-C4' energy: -14.924 flat angles P-C4'-P energy: -9.656 tors. eta vs tors. theta energy: -23.279 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: 4, replica: 5 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -233.894537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.894537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.894537 (E_RNA) where: Base-Base interactions energy: -157.458 where: short stacking energy: -75.182 Base-Backbone interact. energy: -0.415 local terms energy: -76.021123 where: bonds (distance) C4'-P energy: -16.199 bonds (distance) P-C4' energy: -16.610 flat angles C4'-P-C4' energy: -18.213 flat angles P-C4'-P energy: -8.340 tors. eta vs tors. theta energy: -16.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -237.963725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.963725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.963725 (E_RNA) where: Base-Base interactions energy: -155.338 where: short stacking energy: -71.538 Base-Backbone interact. energy: -0.146 local terms energy: -82.478842 where: bonds (distance) C4'-P energy: -14.423 bonds (distance) P-C4' energy: -20.341 flat angles C4'-P-C4' energy: -17.457 flat angles P-C4'-P energy: -15.368 tors. eta vs tors. theta energy: -14.890 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: 6, replica: 1 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -229.836759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.836759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.836759 (E_RNA) where: Base-Base interactions energy: -150.892 where: short stacking energy: -71.546 Base-Backbone interact. energy: -0.001 local terms energy: -78.943777 where: bonds (distance) C4'-P energy: -18.094 bonds (distance) P-C4' energy: -16.797 flat angles C4'-P-C4' energy: -15.371 flat angles P-C4'-P energy: -9.513 tors. eta vs tors. theta energy: -19.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -239.827336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.827336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.827336 (E_RNA) where: Base-Base interactions energy: -168.617 where: short stacking energy: -77.194 Base-Backbone interact. energy: 0.109 local terms energy: -71.319235 where: bonds (distance) C4'-P energy: -13.868 bonds (distance) P-C4' energy: -11.718 flat angles C4'-P-C4' energy: -12.228 flat angles P-C4'-P energy: -12.215 tors. eta vs tors. theta energy: -21.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -208.461340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.461340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.461340 (E_RNA) where: Base-Base interactions energy: -140.757 where: short stacking energy: -63.414 Base-Backbone interact. energy: -0.076 local terms energy: -67.628352 where: bonds (distance) C4'-P energy: -16.602 bonds (distance) P-C4' energy: -16.811 flat angles C4'-P-C4' energy: -16.282 flat angles P-C4'-P energy: -7.729 tors. eta vs tors. theta energy: -10.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -195.628240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.628240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.628240 (E_RNA) where: Base-Base interactions energy: -129.570 where: short stacking energy: -60.010 Base-Backbone interact. energy: -0.525 local terms energy: -65.533605 where: bonds (distance) C4'-P energy: -15.714 bonds (distance) P-C4' energy: -15.682 flat angles C4'-P-C4' energy: -14.420 flat angles P-C4'-P energy: -11.092 tors. eta vs tors. theta energy: -8.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -193.099372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.099372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.099372 (E_RNA) where: Base-Base interactions energy: -119.402 where: short stacking energy: -55.441 Base-Backbone interact. energy: -0.091 local terms energy: -73.605760 where: bonds (distance) C4'-P energy: -13.544 bonds (distance) P-C4' energy: -19.006 flat angles C4'-P-C4' energy: -14.365 flat angles P-C4'-P energy: -12.635 tors. eta vs tors. theta energy: -14.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -301.416085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.416085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.416085 (E_RNA) where: Base-Base interactions energy: -212.336 where: short stacking energy: -90.109 Base-Backbone interact. energy: -1.305 local terms energy: -87.774715 where: bonds (distance) C4'-P energy: -17.009 bonds (distance) P-C4' energy: -19.082 flat angles C4'-P-C4' energy: -18.016 flat angles P-C4'-P energy: -10.194 tors. eta vs tors. theta energy: -23.473 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: 3 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -283.508426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.508426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.508426 (E_RNA) where: Base-Base interactions energy: -201.391 where: short stacking energy: -91.289 Base-Backbone interact. energy: -0.935 local terms energy: -81.182016 where: bonds (distance) C4'-P energy: -15.948 bonds (distance) P-C4' energy: -18.974 flat angles C4'-P-C4' energy: -19.898 flat angles P-C4'-P energy: -9.814 tors. eta vs tors. theta energy: -16.547 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: 3, replica: 7 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -277.261635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.261635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.261635 (E_RNA) where: Base-Base interactions energy: -196.703 where: short stacking energy: -87.037 Base-Backbone interact. energy: -1.247 local terms energy: -79.311244 where: bonds (distance) C4'-P energy: -15.010 bonds (distance) P-C4' energy: -15.275 flat angles C4'-P-C4' energy: -21.268 flat angles P-C4'-P energy: -5.618 tors. eta vs tors. theta energy: -22.139 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: 5 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -239.707049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.707049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.707049 (E_RNA) where: Base-Base interactions energy: -165.050 where: short stacking energy: -79.315 Base-Backbone interact. energy: -0.361 local terms energy: -74.295484 where: bonds (distance) C4'-P energy: -10.476 bonds (distance) P-C4' energy: -17.925 flat angles C4'-P-C4' energy: -18.797 flat angles P-C4'-P energy: -7.038 tors. eta vs tors. theta energy: -20.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -232.664352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.664352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.664352 (E_RNA) where: Base-Base interactions energy: -159.670 where: short stacking energy: -70.968 Base-Backbone interact. energy: -0.456 local terms energy: -72.538261 where: bonds (distance) C4'-P energy: -16.070 bonds (distance) P-C4' energy: -17.526 flat angles C4'-P-C4' energy: -18.237 flat angles P-C4'-P energy: -9.866 tors. eta vs tors. theta energy: -10.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -225.253741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.253741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.253741 (E_RNA) where: Base-Base interactions energy: -155.747 where: short stacking energy: -81.148 Base-Backbone interact. energy: -0.195 local terms energy: -69.312391 where: bonds (distance) C4'-P energy: -10.240 bonds (distance) P-C4' energy: -13.381 flat angles C4'-P-C4' energy: -16.641 flat angles P-C4'-P energy: -13.171 tors. eta vs tors. theta energy: -15.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -213.382735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.382735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.382735 (E_RNA) where: Base-Base interactions energy: -142.880 where: short stacking energy: -70.995 Base-Backbone interact. energy: -0.011 local terms energy: -70.492619 where: bonds (distance) C4'-P energy: -16.627 bonds (distance) P-C4' energy: -15.362 flat angles C4'-P-C4' energy: -16.572 flat angles P-C4'-P energy: -8.874 tors. eta vs tors. theta energy: -13.057 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: 9 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -206.401566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.401566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.401566 (E_RNA) where: Base-Base interactions energy: -141.915 where: short stacking energy: -69.972 Base-Backbone interact. energy: -0.076 local terms energy: -64.410616 where: bonds (distance) C4'-P energy: -13.134 bonds (distance) P-C4' energy: -17.184 flat angles C4'-P-C4' energy: -15.849 flat angles P-C4'-P energy: -5.239 tors. eta vs tors. theta energy: -13.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -211.666794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.666794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.666794 (E_RNA) where: Base-Base interactions energy: -140.866 where: short stacking energy: -62.683 Base-Backbone interact. energy: -0.646 local terms energy: -70.155187 where: bonds (distance) C4'-P energy: -14.541 bonds (distance) P-C4' energy: -12.784 flat angles C4'-P-C4' energy: -19.265 flat angles P-C4'-P energy: -10.397 tors. eta vs tors. theta energy: -13.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -191.072855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.072855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.072855 (E_RNA) where: Base-Base interactions energy: -129.966 where: short stacking energy: -56.683 Base-Backbone interact. energy: -0.481 local terms energy: -60.626119 where: bonds (distance) C4'-P energy: -15.738 bonds (distance) P-C4' energy: -12.365 flat angles C4'-P-C4' energy: -13.059 flat angles P-C4'-P energy: -7.342 tors. eta vs tors. theta energy: -12.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -292.851049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.851049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.851049 (E_RNA) where: Base-Base interactions energy: -212.496 where: short stacking energy: -93.835 Base-Backbone interact. energy: -1.389 local terms energy: -78.966227 where: bonds (distance) C4'-P energy: -17.253 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -17.290 flat angles P-C4'-P energy: -7.679 tors. eta vs tors. theta energy: -21.222 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: 2, replica: 7 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -292.894930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.894930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.894930 (E_RNA) where: Base-Base interactions energy: -207.671 where: short stacking energy: -95.584 Base-Backbone interact. energy: -0.711 local terms energy: -84.513360 where: bonds (distance) C4'-P energy: -15.079 bonds (distance) P-C4' energy: -18.558 flat angles C4'-P-C4' energy: -16.870 flat angles P-C4'-P energy: -13.770 tors. eta vs tors. theta energy: -20.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -280.342922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.342922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.342922 (E_RNA) where: Base-Base interactions energy: -196.434 where: short stacking energy: -86.840 Base-Backbone interact. energy: -0.967 local terms energy: -82.942256 where: bonds (distance) C4'-P energy: -15.411 bonds (distance) P-C4' energy: -18.386 flat angles C4'-P-C4' energy: -17.536 flat angles P-C4'-P energy: -10.461 tors. eta vs tors. theta energy: -21.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -232.537817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.537817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.537817 (E_RNA) where: Base-Base interactions energy: -160.721 where: short stacking energy: -73.668 Base-Backbone interact. energy: -0.008 local terms energy: -71.809096 where: bonds (distance) C4'-P energy: -15.766 bonds (distance) P-C4' energy: -15.163 flat angles C4'-P-C4' energy: -11.837 flat angles P-C4'-P energy: -8.645 tors. eta vs tors. theta energy: -20.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -228.353171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.353171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.353171 (E_RNA) where: Base-Base interactions energy: -154.841 where: short stacking energy: -78.135 Base-Backbone interact. energy: -0.283 local terms energy: -73.228603 where: bonds (distance) C4'-P energy: -15.544 bonds (distance) P-C4' energy: -14.992 flat angles C4'-P-C4' energy: -14.723 flat angles P-C4'-P energy: -9.013 tors. eta vs tors. theta energy: -18.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -210.730755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.730755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.730755 (E_RNA) where: Base-Base interactions energy: -145.211 where: short stacking energy: -72.495 Base-Backbone interact. energy: -0.169 local terms energy: -65.350314 where: bonds (distance) C4'-P energy: -10.870 bonds (distance) P-C4' energy: -13.129 flat angles C4'-P-C4' energy: -16.864 flat angles P-C4'-P energy: -7.047 tors. eta vs tors. theta energy: -17.440 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: 7, replica: 4 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -209.250850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.250850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.250850 (E_RNA) where: Base-Base interactions energy: -134.649 where: short stacking energy: -70.181 Base-Backbone interact. energy: -0.109 local terms energy: -74.492598 where: bonds (distance) C4'-P energy: -16.143 bonds (distance) P-C4' energy: -19.728 flat angles C4'-P-C4' energy: -14.386 flat angles P-C4'-P energy: -8.626 tors. eta vs tors. theta energy: -15.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -198.716857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.716857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.716857 (E_RNA) where: Base-Base interactions energy: -141.379 where: short stacking energy: -65.557 Base-Backbone interact. energy: -0.711 local terms energy: -56.626849 where: bonds (distance) C4'-P energy: -13.859 bonds (distance) P-C4' energy: -18.157 flat angles C4'-P-C4' energy: -7.042 flat angles P-C4'-P energy: -4.444 tors. eta vs tors. theta energy: -13.125 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: 9, replica: 9 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -198.399037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.399037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.399037 (E_RNA) where: Base-Base interactions energy: -139.258 where: short stacking energy: -67.046 Base-Backbone interact. energy: -0.050 local terms energy: -59.090709 where: bonds (distance) C4'-P energy: -10.328 bonds (distance) P-C4' energy: -11.408 flat angles C4'-P-C4' energy: -16.280 flat angles P-C4'-P energy: -7.799 tors. eta vs tors. theta energy: -13.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -208.318059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.318059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.318059 (E_RNA) where: Base-Base interactions energy: -137.797 where: short stacking energy: -67.576 Base-Backbone interact. energy: -0.979 local terms energy: -69.541961 where: bonds (distance) C4'-P energy: -15.619 bonds (distance) P-C4' energy: -14.254 flat angles C4'-P-C4' energy: -16.720 flat angles P-C4'-P energy: -7.468 tors. eta vs tors. theta energy: -15.481 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: 280 Temperature: 0.900000 Total energy: -293.776615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.776615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.776615 (E_RNA) where: Base-Base interactions energy: -204.318 where: short stacking energy: -93.283 Base-Backbone interact. energy: -0.081 local terms energy: -89.377177 where: bonds (distance) C4'-P energy: -16.203 bonds (distance) P-C4' energy: -19.420 flat angles C4'-P-C4' energy: -18.394 flat angles P-C4'-P energy: -13.088 tors. eta vs tors. theta energy: -22.272 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: 2, replica: 7 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -283.309651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.309651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.309651 (E_RNA) where: Base-Base interactions energy: -196.045 where: short stacking energy: -81.267 Base-Backbone interact. energy: -1.128 local terms energy: -86.136764 where: bonds (distance) C4'-P energy: -14.750 bonds (distance) P-C4' energy: -17.413 flat angles C4'-P-C4' energy: -19.498 flat angles P-C4'-P energy: -10.789 tors. eta vs tors. theta energy: -23.688 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: 3 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -268.279836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.279836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.279836 (E_RNA) where: Base-Base interactions energy: -191.039 where: short stacking energy: -83.208 Base-Backbone interact. energy: 0.354 local terms energy: -77.595042 where: bonds (distance) C4'-P energy: -15.632 bonds (distance) P-C4' energy: -19.257 flat angles C4'-P-C4' energy: -15.958 flat angles P-C4'-P energy: -6.803 tors. eta vs tors. theta energy: -19.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -230.663530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.663530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.663530 (E_RNA) where: Base-Base interactions energy: -148.548 where: short stacking energy: -69.597 Base-Backbone interact. energy: -1.644 local terms energy: -80.471173 where: bonds (distance) C4'-P energy: -17.326 bonds (distance) P-C4' energy: -18.058 flat angles C4'-P-C4' energy: -15.144 flat angles P-C4'-P energy: -14.246 tors. eta vs tors. theta energy: -15.697 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: 280 Temperature: 1.100000 Total energy: -244.878136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.878136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.878136 (E_RNA) where: Base-Base interactions energy: -162.169 where: short stacking energy: -78.243 Base-Backbone interact. energy: 0.667 local terms energy: -83.376800 where: bonds (distance) C4'-P energy: -15.222 bonds (distance) P-C4' energy: -17.920 flat angles C4'-P-C4' energy: -16.687 flat angles P-C4'-P energy: -11.552 tors. eta vs tors. theta energy: -21.995 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: 8 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -224.687118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.687118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.687118 (E_RNA) where: Base-Base interactions energy: -149.333 where: short stacking energy: -68.288 Base-Backbone interact. energy: -0.141 local terms energy: -75.213430 where: bonds (distance) C4'-P energy: -17.816 bonds (distance) P-C4' energy: -17.486 flat angles C4'-P-C4' energy: -17.460 flat angles P-C4'-P energy: -10.068 tors. eta vs tors. theta energy: -12.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -212.268988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.268988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.268988 (E_RNA) where: Base-Base interactions energy: -148.171 where: short stacking energy: -65.218 Base-Backbone interact. energy: -0.246 local terms energy: -63.852088 where: bonds (distance) C4'-P energy: -15.908 bonds (distance) P-C4' energy: -17.141 flat angles C4'-P-C4' energy: -13.350 flat angles P-C4'-P energy: -3.034 tors. eta vs tors. theta energy: -14.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -211.644127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.644127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.644127 (E_RNA) where: Base-Base interactions energy: -134.096 where: short stacking energy: -65.802 Base-Backbone interact. energy: -0.078 local terms energy: -77.470053 where: bonds (distance) C4'-P energy: -16.744 bonds (distance) P-C4' energy: -17.881 flat angles C4'-P-C4' energy: -15.723 flat angles P-C4'-P energy: -13.407 tors. eta vs tors. theta energy: -13.714 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: 2 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -214.757920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.757920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.757920 (E_RNA) where: Base-Base interactions energy: -152.144 where: short stacking energy: -75.625 Base-Backbone interact. energy: -0.211 local terms energy: -62.403403 where: bonds (distance) C4'-P energy: -13.072 bonds (distance) P-C4' energy: -13.016 flat angles C4'-P-C4' energy: -13.907 flat angles P-C4'-P energy: -4.496 tors. eta vs tors. theta energy: -17.914 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: 9 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -198.213595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.213595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.213595 (E_RNA) where: Base-Base interactions energy: -137.968 where: short stacking energy: -67.775 Base-Backbone interact. energy: -0.114 local terms energy: -60.131496 where: bonds (distance) C4'-P energy: -12.803 bonds (distance) P-C4' energy: -11.853 flat angles C4'-P-C4' energy: -12.801 flat angles P-C4'-P energy: -9.709 tors. eta vs tors. theta energy: -12.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -296.569083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.569083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.569083 (E_RNA) where: Base-Base interactions energy: -205.235 where: short stacking energy: -89.802 Base-Backbone interact. energy: -1.808 local terms energy: -89.526459 where: bonds (distance) C4'-P energy: -19.821 bonds (distance) P-C4' energy: -18.686 flat angles C4'-P-C4' energy: -17.479 flat angles P-C4'-P energy: -9.687 tors. eta vs tors. theta energy: -23.855 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: 7 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -282.779486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.779486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.779486 (E_RNA) where: Base-Base interactions energy: -200.647 where: short stacking energy: -86.019 Base-Backbone interact. energy: -0.025 local terms energy: -82.107593 where: bonds (distance) C4'-P energy: -16.297 bonds (distance) P-C4' energy: -16.780 flat angles C4'-P-C4' energy: -19.346 flat angles P-C4'-P energy: -9.691 tors. eta vs tors. theta energy: -19.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -282.083220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.083220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.083220 (E_RNA) where: Base-Base interactions energy: -194.897 where: short stacking energy: -87.126 Base-Backbone interact. energy: -3.125 local terms energy: -84.060413 where: bonds (distance) C4'-P energy: -17.920 bonds (distance) P-C4' energy: -16.485 flat angles C4'-P-C4' energy: -19.942 flat angles P-C4'-P energy: -8.385 tors. eta vs tors. theta energy: -21.329 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: 5 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -240.147537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.147537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.147537 (E_RNA) where: Base-Base interactions energy: -166.686 where: short stacking energy: -78.289 Base-Backbone interact. energy: -0.080 local terms energy: -73.381635 where: bonds (distance) C4'-P energy: -12.827 bonds (distance) P-C4' energy: -20.629 flat angles C4'-P-C4' energy: -14.989 flat angles P-C4'-P energy: -9.790 tors. eta vs tors. theta energy: -15.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -237.736822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.736822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.736822 (E_RNA) where: Base-Base interactions energy: -160.872 where: short stacking energy: -76.205 Base-Backbone interact. energy: -0.121 local terms energy: -76.743975 where: bonds (distance) C4'-P energy: -15.469 bonds (distance) P-C4' energy: -13.588 flat angles C4'-P-C4' energy: -18.015 flat angles P-C4'-P energy: -10.429 tors. eta vs tors. theta energy: -19.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -218.947341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.947341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.947341 (E_RNA) where: Base-Base interactions energy: -144.078 where: short stacking energy: -66.372 Base-Backbone interact. energy: -1.099 local terms energy: -73.770130 where: bonds (distance) C4'-P energy: -15.518 bonds (distance) P-C4' energy: -18.319 flat angles C4'-P-C4' energy: -15.203 flat angles P-C4'-P energy: -9.752 tors. eta vs tors. theta energy: -14.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -221.020441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.020441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.020441 (E_RNA) where: Base-Base interactions energy: -148.143 where: short stacking energy: -71.495 Base-Backbone interact. energy: -0.007 local terms energy: -72.870272 where: bonds (distance) C4'-P energy: -15.598 bonds (distance) P-C4' energy: -18.742 flat angles C4'-P-C4' energy: -16.024 flat angles P-C4'-P energy: -7.368 tors. eta vs tors. theta energy: -15.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -222.894363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.894363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.894363 (E_RNA) where: Base-Base interactions energy: -155.711 where: short stacking energy: -75.495 Base-Backbone interact. energy: -0.158 local terms energy: -67.025381 where: bonds (distance) C4'-P energy: -15.118 bonds (distance) P-C4' energy: -11.900 flat angles C4'-P-C4' energy: -18.726 flat angles P-C4'-P energy: -8.951 tors. eta vs tors. theta energy: -12.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -211.734059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.734059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.734059 (E_RNA) where: Base-Base interactions energy: -145.589 where: short stacking energy: -61.860 Base-Backbone interact. energy: 0.945 local terms energy: -67.089727 where: bonds (distance) C4'-P energy: -12.889 bonds (distance) P-C4' energy: -17.488 flat angles C4'-P-C4' energy: -16.759 flat angles P-C4'-P energy: -8.079 tors. eta vs tors. theta energy: -11.875 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: 10, replica: 9 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -211.895855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.895855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.895855 (E_RNA) where: Base-Base interactions energy: -141.857 where: short stacking energy: -63.279 Base-Backbone interact. energy: -0.666 local terms energy: -69.373096 where: bonds (distance) C4'-P energy: -15.311 bonds (distance) P-C4' energy: -14.639 flat angles C4'-P-C4' energy: -14.335 flat angles P-C4'-P energy: -11.809 tors. eta vs tors. theta energy: -13.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -292.961759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.961759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.961759 (E_RNA) where: Base-Base interactions energy: -211.562 where: short stacking energy: -91.414 Base-Backbone interact. energy: -0.715 local terms energy: -80.684569 where: bonds (distance) C4'-P energy: -16.172 bonds (distance) P-C4' energy: -17.567 flat angles C4'-P-C4' energy: -15.787 flat angles P-C4'-P energy: -11.569 tors. eta vs tors. theta energy: -19.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -290.060245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.060245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.060245 (E_RNA) where: Base-Base interactions energy: -204.517 where: short stacking energy: -90.701 Base-Backbone interact. energy: -1.174 local terms energy: -84.369295 where: bonds (distance) C4'-P energy: -15.520 bonds (distance) P-C4' energy: -20.623 flat angles C4'-P-C4' energy: -18.063 flat angles P-C4'-P energy: -8.183 tors. eta vs tors. theta energy: -21.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -254.289116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.289116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.289116 (E_RNA) where: Base-Base interactions energy: -168.130 where: short stacking energy: -84.357 Base-Backbone interact. energy: -0.056 local terms energy: -86.103767 where: bonds (distance) C4'-P energy: -16.794 bonds (distance) P-C4' energy: -17.912 flat angles C4'-P-C4' energy: -19.603 flat angles P-C4'-P energy: -9.213 tors. eta vs tors. theta energy: -22.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -269.399659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.399659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.399659 (E_RNA) where: Base-Base interactions energy: -195.259 where: short stacking energy: -87.293 Base-Backbone interact. energy: -0.531 local terms energy: -73.609385 where: bonds (distance) C4'-P energy: -12.571 bonds (distance) P-C4' energy: -14.817 flat angles C4'-P-C4' energy: -18.705 flat angles P-C4'-P energy: -6.727 tors. eta vs tors. theta energy: -20.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -246.612780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.612780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.612780 (E_RNA) where: Base-Base interactions energy: -166.827 where: short stacking energy: -82.825 Base-Backbone interact. energy: 0.969 local terms energy: -80.754109 where: bonds (distance) C4'-P energy: -13.541 bonds (distance) P-C4' energy: -19.715 flat angles C4'-P-C4' energy: -16.510 flat angles P-C4'-P energy: -10.426 tors. eta vs tors. theta energy: -20.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -225.107552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.107552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.107552 (E_RNA) where: Base-Base interactions energy: -143.409 where: short stacking energy: -71.872 Base-Backbone interact. energy: -0.122 local terms energy: -81.576714 where: bonds (distance) C4'-P energy: -20.486 bonds (distance) P-C4' energy: -15.840 flat angles C4'-P-C4' energy: -18.398 flat angles P-C4'-P energy: -8.465 tors. eta vs tors. theta energy: -18.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -229.257906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.257906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.257906 (E_RNA) where: Base-Base interactions energy: -153.035 where: short stacking energy: -65.006 Base-Backbone interact. energy: -0.633 local terms energy: -75.589762 where: bonds (distance) C4'-P energy: -17.319 bonds (distance) P-C4' energy: -14.818 flat angles C4'-P-C4' energy: -16.187 flat angles P-C4'-P energy: -9.815 tors. eta vs tors. theta energy: -17.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -200.026091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.026091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.026091 (E_RNA) where: Base-Base interactions energy: -135.550 where: short stacking energy: -60.542 Base-Backbone interact. energy: -0.174 local terms energy: -64.301764 where: bonds (distance) C4'-P energy: -14.346 bonds (distance) P-C4' energy: -16.201 flat angles C4'-P-C4' energy: -17.262 flat angles P-C4'-P energy: -9.810 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: 9, replica: 4 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -196.961052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.961052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.961052 (E_RNA) where: Base-Base interactions energy: -129.188 where: short stacking energy: -57.088 Base-Backbone interact. energy: -0.010 local terms energy: -67.763540 where: bonds (distance) C4'-P energy: -13.597 bonds (distance) P-C4' energy: -19.616 flat angles C4'-P-C4' energy: -14.755 flat angles P-C4'-P energy: -8.154 tors. eta vs tors. theta energy: -11.641 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: 9 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -190.109897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.109897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.109897 (E_RNA) where: Base-Base interactions energy: -133.217 where: short stacking energy: -60.541 Base-Backbone interact. energy: -0.458 local terms energy: -56.434569 where: bonds (distance) C4'-P energy: -13.878 bonds (distance) P-C4' energy: -14.634 flat angles C4'-P-C4' energy: -7.480 flat angles P-C4'-P energy: -8.504 tors. eta vs tors. theta energy: -11.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -295.283344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.283344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.283344 (E_RNA) where: Base-Base interactions energy: -211.805 where: short stacking energy: -89.084 Base-Backbone interact. energy: -0.251 local terms energy: -83.227287 where: bonds (distance) C4'-P energy: -17.568 bonds (distance) P-C4' energy: -14.225 flat angles C4'-P-C4' energy: -17.635 flat angles P-C4'-P energy: -11.020 tors. eta vs tors. theta energy: -22.780 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: 283 Temperature: 0.950000 Total energy: -283.692358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.692358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.692358 (E_RNA) where: Base-Base interactions energy: -205.258 where: short stacking energy: -90.439 Base-Backbone interact. energy: -1.566 local terms energy: -76.868919 where: bonds (distance) C4'-P energy: -14.729 bonds (distance) P-C4' energy: -10.477 flat angles C4'-P-C4' energy: -19.617 flat angles P-C4'-P energy: -9.529 tors. eta vs tors. theta energy: -22.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -239.155950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.155950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.155950 (E_RNA) where: Base-Base interactions energy: -159.405 where: short stacking energy: -77.584 Base-Backbone interact. energy: -1.215 local terms energy: -78.536386 where: bonds (distance) C4'-P energy: -18.275 bonds (distance) P-C4' energy: -17.951 flat angles C4'-P-C4' energy: -16.808 flat angles P-C4'-P energy: -8.087 tors. eta vs tors. theta energy: -17.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -267.167379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.167379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.167379 (E_RNA) where: Base-Base interactions energy: -187.920 where: short stacking energy: -82.646 Base-Backbone interact. energy: -0.049 local terms energy: -79.198523 where: bonds (distance) C4'-P energy: -16.608 bonds (distance) P-C4' energy: -19.941 flat angles C4'-P-C4' energy: -15.433 flat angles P-C4'-P energy: -10.345 tors. eta vs tors. theta energy: -16.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -236.309900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.309900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.309900 (E_RNA) where: Base-Base interactions energy: -158.704 where: short stacking energy: -85.655 Base-Backbone interact. energy: -0.487 local terms energy: -77.118620 where: bonds (distance) C4'-P energy: -12.076 bonds (distance) P-C4' energy: -16.409 flat angles C4'-P-C4' energy: -14.849 flat angles P-C4'-P energy: -11.192 tors. eta vs tors. theta energy: -22.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -238.018232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.018232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.018232 (E_RNA) where: Base-Base interactions energy: -156.377 where: short stacking energy: -77.442 Base-Backbone interact. energy: -0.634 local terms energy: -81.007865 where: bonds (distance) C4'-P energy: -16.769 bonds (distance) P-C4' energy: -18.714 flat angles C4'-P-C4' energy: -16.569 flat angles P-C4'-P energy: -11.158 tors. eta vs tors. theta energy: -17.799 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: 283 Temperature: 1.200000 Total energy: -206.964654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.964654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.964654 (E_RNA) where: Base-Base interactions energy: -135.189 where: short stacking energy: -62.109 Base-Backbone interact. energy: -0.776 local terms energy: -70.999656 where: bonds (distance) C4'-P energy: -14.877 bonds (distance) P-C4' energy: -17.904 flat angles C4'-P-C4' energy: -19.280 flat angles P-C4'-P energy: -7.967 tors. eta vs tors. theta energy: -10.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -210.841299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.841299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.841299 (E_RNA) where: Base-Base interactions energy: -147.176 where: short stacking energy: -78.341 Base-Backbone interact. energy: -0.042 local terms energy: -63.623445 where: bonds (distance) C4'-P energy: -15.878 bonds (distance) P-C4' energy: -9.546 flat angles C4'-P-C4' energy: -12.188 flat angles P-C4'-P energy: -8.827 tors. eta vs tors. theta energy: -17.185 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: 10 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -199.992682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.992682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.992682 (E_RNA) where: Base-Base interactions energy: -137.290 where: short stacking energy: -60.528 Base-Backbone interact. energy: -0.884 local terms energy: -61.818769 where: bonds (distance) C4'-P energy: -11.695 bonds (distance) P-C4' energy: -15.265 flat angles C4'-P-C4' energy: -15.045 flat angles P-C4'-P energy: -7.541 tors. eta vs tors. theta energy: -12.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -194.480305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.480305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.480305 (E_RNA) where: Base-Base interactions energy: -131.430 where: short stacking energy: -60.895 Base-Backbone interact. energy: 1.359 local terms energy: -64.409187 where: bonds (distance) C4'-P energy: -9.057 bonds (distance) P-C4' energy: -15.109 flat angles C4'-P-C4' energy: -15.232 flat angles P-C4'-P energy: -10.369 tors. eta vs tors. theta energy: -14.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -290.733383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.733383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.733383 (E_RNA) where: Base-Base interactions energy: -202.721 where: short stacking energy: -96.152 Base-Backbone interact. energy: -0.722 local terms energy: -87.290369 where: bonds (distance) C4'-P energy: -17.081 bonds (distance) P-C4' energy: -14.337 flat angles C4'-P-C4' energy: -20.645 flat angles P-C4'-P energy: -11.911 tors. eta vs tors. theta energy: -23.317 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: 7 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -282.489631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.489631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.489631 (E_RNA) where: Base-Base interactions energy: -197.065 where: short stacking energy: -92.814 Base-Backbone interact. energy: -1.312 local terms energy: -84.112995 where: bonds (distance) C4'-P energy: -18.685 bonds (distance) P-C4' energy: -14.027 flat angles C4'-P-C4' energy: -17.113 flat angles P-C4'-P energy: -12.171 tors. eta vs tors. theta energy: -22.116 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: 3 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -276.879841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.879841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.879841 (E_RNA) where: Base-Base interactions energy: -196.767 where: short stacking energy: -86.079 Base-Backbone interact. energy: 0.427 local terms energy: -80.539525 where: bonds (distance) C4'-P energy: -11.218 bonds (distance) P-C4' energy: -18.350 flat angles C4'-P-C4' energy: -20.101 flat angles P-C4'-P energy: -7.651 tors. eta vs tors. theta energy: -23.219 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: 5 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -252.340821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.340821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.340821 (E_RNA) where: Base-Base interactions energy: -172.994 where: short stacking energy: -79.074 Base-Backbone interact. energy: -0.510 local terms energy: -78.837152 where: bonds (distance) C4'-P energy: -11.897 bonds (distance) P-C4' energy: -16.574 flat angles C4'-P-C4' energy: -14.516 flat angles P-C4'-P energy: -10.033 tors. eta vs tors. theta energy: -25.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -237.000228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.000228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.000228 (E_RNA) where: Base-Base interactions energy: -164.853 where: short stacking energy: -77.129 Base-Backbone interact. energy: -0.430 local terms energy: -71.716516 where: bonds (distance) C4'-P energy: -16.410 bonds (distance) P-C4' energy: -12.271 flat angles C4'-P-C4' energy: -16.327 flat angles P-C4'-P energy: -8.289 tors. eta vs tors. theta energy: -18.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -217.697761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.697761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.697761 (E_RNA) where: Base-Base interactions energy: -149.132 where: short stacking energy: -67.912 Base-Backbone interact. energy: -1.160 local terms energy: -67.406037 where: bonds (distance) C4'-P energy: -11.257 bonds (distance) P-C4' energy: -16.586 flat angles C4'-P-C4' energy: -17.869 flat angles P-C4'-P energy: -6.204 tors. eta vs tors. theta energy: -15.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -221.364171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.364171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.364171 (E_RNA) where: Base-Base interactions energy: -160.157 where: short stacking energy: -73.601 Base-Backbone interact. energy: -0.127 local terms energy: -61.080728 where: bonds (distance) C4'-P energy: -16.252 bonds (distance) P-C4' energy: -8.914 flat angles C4'-P-C4' energy: -11.497 flat angles P-C4'-P energy: -11.166 tors. eta vs tors. theta energy: -13.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -211.551473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.551473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.551473 (E_RNA) where: Base-Base interactions energy: -145.342 where: short stacking energy: -62.715 Base-Backbone interact. energy: -0.484 local terms energy: -65.725408 where: bonds (distance) C4'-P energy: -16.785 bonds (distance) P-C4' energy: -15.860 flat angles C4'-P-C4' energy: -14.287 flat angles P-C4'-P energy: -7.062 tors. eta vs tors. theta energy: -11.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -223.484075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.484075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.484075 (E_RNA) where: Base-Base interactions energy: -155.196 where: short stacking energy: -72.262 Base-Backbone interact. energy: -0.156 local terms energy: -68.132117 where: bonds (distance) C4'-P energy: -14.595 bonds (distance) P-C4' energy: -18.150 flat angles C4'-P-C4' energy: -15.742 flat angles P-C4'-P energy: -4.070 tors. eta vs tors. theta energy: -15.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -193.639719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.639719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.639719 (E_RNA) where: Base-Base interactions energy: -135.762 where: short stacking energy: -48.735 Base-Backbone interact. energy: -0.994 local terms energy: -56.883820 where: bonds (distance) C4'-P energy: -13.655 bonds (distance) P-C4' energy: -14.436 flat angles C4'-P-C4' energy: -17.963 flat angles P-C4'-P energy: -0.850 tors. eta vs tors. theta energy: -9.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -285.832485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.832485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.832485 (E_RNA) where: Base-Base interactions energy: -201.639 where: short stacking energy: -91.610 Base-Backbone interact. energy: -0.411 local terms energy: -83.781977 where: bonds (distance) C4'-P energy: -17.170 bonds (distance) P-C4' energy: -18.160 flat angles C4'-P-C4' energy: -18.713 flat angles P-C4'-P energy: -9.325 tors. eta vs tors. theta energy: -20.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -288.525269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.525269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.525269 (E_RNA) where: Base-Base interactions energy: -201.131 where: short stacking energy: -85.593 Base-Backbone interact. energy: -2.451 local terms energy: -84.943308 where: bonds (distance) C4'-P energy: -14.943 bonds (distance) P-C4' energy: -19.969 flat angles C4'-P-C4' energy: -17.155 flat angles P-C4'-P energy: -12.164 tors. eta vs tors. theta energy: -20.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -271.585909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.585909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.585909 (E_RNA) where: Base-Base interactions energy: -188.542 where: short stacking energy: -86.732 Base-Backbone interact. energy: -2.906 local terms energy: -80.138553 where: bonds (distance) C4'-P energy: -16.455 bonds (distance) P-C4' energy: -13.581 flat angles C4'-P-C4' energy: -17.972 flat angles P-C4'-P energy: -10.716 tors. eta vs tors. theta energy: -21.415 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: 4, replica: 2 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -226.479664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.479664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.479664 (E_RNA) where: Base-Base interactions energy: -155.206 where: short stacking energy: -74.335 Base-Backbone interact. energy: -0.070 local terms energy: -71.203551 where: bonds (distance) C4'-P energy: -17.729 bonds (distance) P-C4' energy: -14.059 flat angles C4'-P-C4' energy: -15.623 flat angles P-C4'-P energy: -8.336 tors. eta vs tors. theta energy: -15.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -260.990877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.990877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.990877 (E_RNA) where: Base-Base interactions energy: -174.349 where: short stacking energy: -87.167 Base-Backbone interact. energy: 0.763 local terms energy: -87.405002 where: bonds (distance) C4'-P energy: -16.828 bonds (distance) P-C4' energy: -16.177 flat angles C4'-P-C4' energy: -16.429 flat angles P-C4'-P energy: -13.050 tors. eta vs tors. theta energy: -24.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -231.143839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.143839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.143839 (E_RNA) where: Base-Base interactions energy: -147.530 where: short stacking energy: -71.275 Base-Backbone interact. energy: -0.089 local terms energy: -83.523987 where: bonds (distance) C4'-P energy: -17.258 bonds (distance) P-C4' energy: -20.180 flat angles C4'-P-C4' energy: -16.691 flat angles P-C4'-P energy: -11.815 tors. eta vs tors. theta energy: -17.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -221.992968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.992968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.992968 (E_RNA) where: Base-Base interactions energy: -154.193 where: short stacking energy: -72.355 Base-Backbone interact. energy: -0.458 local terms energy: -67.342202 where: bonds (distance) C4'-P energy: -15.567 bonds (distance) P-C4' energy: -15.413 flat angles C4'-P-C4' energy: -16.000 flat angles P-C4'-P energy: -3.718 tors. eta vs tors. theta energy: -16.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -217.375905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.375905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.375905 (E_RNA) where: Base-Base interactions energy: -136.255 where: short stacking energy: -66.492 Base-Backbone interact. energy: -0.394 local terms energy: -80.727015 where: bonds (distance) C4'-P energy: -15.767 bonds (distance) P-C4' energy: -14.955 flat angles C4'-P-C4' energy: -14.651 flat angles P-C4'-P energy: -13.766 tors. eta vs tors. theta energy: -21.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -209.332633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.332633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.332633 (E_RNA) where: Base-Base interactions energy: -141.883 where: short stacking energy: -72.205 Base-Backbone interact. energy: 0.366 local terms energy: -67.815791 where: bonds (distance) C4'-P energy: -15.253 bonds (distance) P-C4' energy: -14.725 flat angles C4'-P-C4' energy: -15.859 flat angles P-C4'-P energy: -7.928 tors. eta vs tors. theta energy: -14.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -225.116675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.116675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.116675 (E_RNA) where: Base-Base interactions energy: -156.738 where: short stacking energy: -73.218 Base-Backbone interact. energy: -0.661 local terms energy: -67.717558 where: bonds (distance) C4'-P energy: -9.710 bonds (distance) P-C4' energy: -20.162 flat angles C4'-P-C4' energy: -13.928 flat angles P-C4'-P energy: -4.974 tors. eta vs tors. theta energy: -18.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -285.599264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.599264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.599264 (E_RNA) where: Base-Base interactions energy: -197.647 where: short stacking energy: -85.977 Base-Backbone interact. energy: -0.927 local terms energy: -87.025381 where: bonds (distance) C4'-P energy: -17.697 bonds (distance) P-C4' energy: -19.249 flat angles C4'-P-C4' energy: -19.819 flat angles P-C4'-P energy: -10.533 tors. eta vs tors. theta energy: -19.727 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: 2, replica: 6 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -285.223419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.223419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.223419 (E_RNA) where: Base-Base interactions energy: -202.069 where: short stacking energy: -87.691 Base-Backbone interact. energy: -0.492 local terms energy: -82.662751 where: bonds (distance) C4'-P energy: -17.975 bonds (distance) P-C4' energy: -16.656 flat angles C4'-P-C4' energy: -16.549 flat angles P-C4'-P energy: -10.372 tors. eta vs tors. theta energy: -21.111 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: 3, replica: 3 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -275.365744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.365744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.365744 (E_RNA) where: Base-Base interactions energy: -195.231 where: short stacking energy: -79.152 Base-Backbone interact. energy: -1.088 local terms energy: -79.046661 where: bonds (distance) C4'-P energy: -17.265 bonds (distance) P-C4' energy: -19.488 flat angles C4'-P-C4' energy: -15.916 flat angles P-C4'-P energy: -8.030 tors. eta vs tors. theta energy: -18.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -239.711433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.711433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.711433 (E_RNA) where: Base-Base interactions energy: -154.255 where: short stacking energy: -79.890 Base-Backbone interact. energy: -0.804 local terms energy: -84.652989 where: bonds (distance) C4'-P energy: -20.143 bonds (distance) P-C4' energy: -18.031 flat angles C4'-P-C4' energy: -19.842 flat angles P-C4'-P energy: -11.473 tors. eta vs tors. theta energy: -15.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -240.980781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.980781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.980781 (E_RNA) where: Base-Base interactions energy: -163.827 where: short stacking energy: -80.846 Base-Backbone interact. energy: 0.078 local terms energy: -77.231897 where: bonds (distance) C4'-P energy: -14.310 bonds (distance) P-C4' energy: -17.851 flat angles C4'-P-C4' energy: -19.109 flat angles P-C4'-P energy: -11.123 tors. eta vs tors. theta energy: -14.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -230.547984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.547984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.547984 (E_RNA) where: Base-Base interactions energy: -155.880 where: short stacking energy: -69.924 Base-Backbone interact. energy: -0.294 local terms energy: -74.374329 where: bonds (distance) C4'-P energy: -15.234 bonds (distance) P-C4' energy: -17.667 flat angles C4'-P-C4' energy: -14.206 flat angles P-C4'-P energy: -10.310 tors. eta vs tors. theta energy: -16.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -213.972489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.972489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.972489 (E_RNA) where: Base-Base interactions energy: -142.782 where: short stacking energy: -67.222 Base-Backbone interact. energy: -0.190 local terms energy: -71.000569 where: bonds (distance) C4'-P energy: -15.030 bonds (distance) P-C4' energy: -18.697 flat angles C4'-P-C4' energy: -9.173 flat angles P-C4'-P energy: -9.270 tors. eta vs tors. theta energy: -18.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -210.786905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.786905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.786905 (E_RNA) where: Base-Base interactions energy: -141.224 where: short stacking energy: -65.416 Base-Backbone interact. energy: -0.009 local terms energy: -69.553741 where: bonds (distance) C4'-P energy: -16.872 bonds (distance) P-C4' energy: -15.144 flat angles C4'-P-C4' energy: -15.577 flat angles P-C4'-P energy: -7.627 tors. eta vs tors. theta energy: -14.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -212.342755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.342755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.342755 (E_RNA) where: Base-Base interactions energy: -151.520 where: short stacking energy: -75.865 Base-Backbone interact. energy: -0.281 local terms energy: -60.541383 where: bonds (distance) C4'-P energy: -10.324 bonds (distance) P-C4' energy: -11.258 flat angles C4'-P-C4' energy: -16.970 flat angles P-C4'-P energy: -1.764 tors. eta vs tors. theta energy: -20.226 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: 10, replica: 1 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -184.014882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.014882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.014882 (E_RNA) where: Base-Base interactions energy: -123.730 where: short stacking energy: -53.745 Base-Backbone interact. energy: -0.479 local terms energy: -59.805819 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -18.569 flat angles C4'-P-C4' energy: -14.160 flat angles P-C4'-P energy: -5.882 tors. eta vs tors. theta energy: -13.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -293.729420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.729420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.729420 (E_RNA) where: Base-Base interactions energy: -198.323 where: short stacking energy: -84.942 Base-Backbone interact. energy: -0.661 local terms energy: -94.745507 where: bonds (distance) C4'-P energy: -19.360 bonds (distance) P-C4' energy: -18.300 flat angles C4'-P-C4' energy: -21.527 flat angles P-C4'-P energy: -13.082 tors. eta vs tors. theta energy: -22.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -278.349708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.349708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.349708 (E_RNA) where: Base-Base interactions energy: -194.194 where: short stacking energy: -87.353 Base-Backbone interact. energy: -0.530 local terms energy: -83.625218 where: bonds (distance) C4'-P energy: -15.800 bonds (distance) P-C4' energy: -18.230 flat angles C4'-P-C4' energy: -18.941 flat angles P-C4'-P energy: -11.688 tors. eta vs tors. theta energy: -18.966 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: 3 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -270.837335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.837335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.837335 (E_RNA) where: Base-Base interactions energy: -188.315 where: short stacking energy: -82.184 Base-Backbone interact. energy: -1.012 local terms energy: -81.510252 where: bonds (distance) C4'-P energy: -18.419 bonds (distance) P-C4' energy: -18.438 flat angles C4'-P-C4' energy: -15.417 flat angles P-C4'-P energy: -7.691 tors. eta vs tors. theta energy: -21.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -236.625581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.625581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.625581 (E_RNA) where: Base-Base interactions energy: -164.255 where: short stacking energy: -84.231 Base-Backbone interact. energy: 0.320 local terms energy: -72.690686 where: bonds (distance) C4'-P energy: -13.552 bonds (distance) P-C4' energy: -11.379 flat angles C4'-P-C4' energy: -18.304 flat angles P-C4'-P energy: -7.989 tors. eta vs tors. theta energy: -21.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -236.070888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.070888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.070888 (E_RNA) where: Base-Base interactions energy: -167.701 where: short stacking energy: -84.649 Base-Backbone interact. energy: -1.143 local terms energy: -67.226210 where: bonds (distance) C4'-P energy: -12.952 bonds (distance) P-C4' energy: -13.509 flat angles C4'-P-C4' energy: -15.092 flat angles P-C4'-P energy: -6.572 tors. eta vs tors. theta energy: -19.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -235.678981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.678981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.678981 (E_RNA) where: Base-Base interactions energy: -168.403 where: short stacking energy: -87.901 Base-Backbone interact. energy: -0.006 local terms energy: -67.270635 where: bonds (distance) C4'-P energy: -12.405 bonds (distance) P-C4' energy: -11.162 flat angles C4'-P-C4' energy: -15.491 flat angles P-C4'-P energy: -8.244 tors. eta vs tors. theta energy: -19.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -217.362722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.362722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.362722 (E_RNA) where: Base-Base interactions energy: -147.543 where: short stacking energy: -72.752 Base-Backbone interact. energy: -0.092 local terms energy: -69.727695 where: bonds (distance) C4'-P energy: -11.244 bonds (distance) P-C4' energy: -17.081 flat angles C4'-P-C4' energy: -15.690 flat angles P-C4'-P energy: -10.431 tors. eta vs tors. theta energy: -15.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -201.794182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.794182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.794182 (E_RNA) where: Base-Base interactions energy: -129.478 where: short stacking energy: -61.106 Base-Backbone interact. energy: -0.084 local terms energy: -72.232017 where: bonds (distance) C4'-P energy: -16.927 bonds (distance) P-C4' energy: -12.940 flat angles C4'-P-C4' energy: -13.382 flat angles P-C4'-P energy: -7.990 tors. eta vs tors. theta energy: -20.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -217.948816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.948816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.948816 (E_RNA) where: Base-Base interactions energy: -145.565 where: short stacking energy: -75.970 Base-Backbone interact. energy: -0.932 local terms energy: -71.451508 where: bonds (distance) C4'-P energy: -10.866 bonds (distance) P-C4' energy: -15.637 flat angles C4'-P-C4' energy: -16.982 flat angles P-C4'-P energy: -7.997 tors. eta vs tors. theta energy: -19.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -195.621721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.621721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.621721 (E_RNA) where: Base-Base interactions energy: -132.171 where: short stacking energy: -53.182 Base-Backbone interact. energy: 0.020 local terms energy: -63.470684 where: bonds (distance) C4'-P energy: -14.244 bonds (distance) P-C4' energy: -17.519 flat angles C4'-P-C4' energy: -13.109 flat angles P-C4'-P energy: -9.498 tors. eta vs tors. theta energy: -9.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -291.264175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.264175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.264175 (E_RNA) where: Base-Base interactions energy: -211.796 where: short stacking energy: -87.356 Base-Backbone interact. energy: -0.713 local terms energy: -78.754369 where: bonds (distance) C4'-P energy: -16.847 bonds (distance) P-C4' energy: -16.034 flat angles C4'-P-C4' energy: -16.577 flat angles P-C4'-P energy: -5.794 tors. eta vs tors. theta energy: -23.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -278.193789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.193789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.193789 (E_RNA) where: Base-Base interactions energy: -199.668 where: short stacking energy: -89.540 Base-Backbone interact. energy: -1.441 local terms energy: -77.085362 where: bonds (distance) C4'-P energy: -15.697 bonds (distance) P-C4' energy: -13.650 flat angles C4'-P-C4' energy: -16.542 flat angles P-C4'-P energy: -10.880 tors. eta vs tors. theta energy: -20.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -264.640186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.640186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.640186 (E_RNA) where: Base-Base interactions energy: -184.491 where: short stacking energy: -78.699 Base-Backbone interact. energy: -0.842 local terms energy: -79.306738 where: bonds (distance) C4'-P energy: -18.127 bonds (distance) P-C4' energy: -15.790 flat angles C4'-P-C4' energy: -17.690 flat angles P-C4'-P energy: -10.734 tors. eta vs tors. theta energy: -16.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -251.563969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.563969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.563969 (E_RNA) where: Base-Base interactions energy: -179.572 where: short stacking energy: -89.361 Base-Backbone interact. energy: -0.006 local terms energy: -71.985666 where: bonds (distance) C4'-P energy: -11.119 bonds (distance) P-C4' energy: -15.903 flat angles C4'-P-C4' energy: -17.027 flat angles P-C4'-P energy: -4.590 tors. eta vs tors. theta energy: -23.347 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: 288 Temperature: 1.100000 Total energy: -235.495484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.495484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.495484 (E_RNA) where: Base-Base interactions energy: -157.038 where: short stacking energy: -88.670 Base-Backbone interact. energy: -0.102 local terms energy: -78.354738 where: bonds (distance) C4'-P energy: -17.233 bonds (distance) P-C4' energy: -14.835 flat angles C4'-P-C4' energy: -16.156 flat angles P-C4'-P energy: -7.521 tors. eta vs tors. theta energy: -22.609 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: 6, replica: 2 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -226.622417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.622417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.622417 (E_RNA) where: Base-Base interactions energy: -146.207 where: short stacking energy: -73.674 Base-Backbone interact. energy: -0.048 local terms energy: -80.367975 where: bonds (distance) C4'-P energy: -12.963 bonds (distance) P-C4' energy: -19.458 flat angles C4'-P-C4' energy: -20.571 flat angles P-C4'-P energy: -9.616 tors. eta vs tors. theta energy: -17.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -218.864291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.864291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.864291 (E_RNA) where: Base-Base interactions energy: -145.632 where: short stacking energy: -68.351 Base-Backbone interact. energy: -0.034 local terms energy: -73.198355 where: bonds (distance) C4'-P energy: -14.172 bonds (distance) P-C4' energy: -19.349 flat angles C4'-P-C4' energy: -11.759 flat angles P-C4'-P energy: -12.893 tors. eta vs tors. theta energy: -15.025 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: 8 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -200.445656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.445656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.445656 (E_RNA) where: Base-Base interactions energy: -139.286 where: short stacking energy: -61.314 Base-Backbone interact. energy: -1.016 local terms energy: -60.143845 where: bonds (distance) C4'-P energy: -9.514 bonds (distance) P-C4' energy: -14.318 flat angles C4'-P-C4' energy: -16.261 flat angles P-C4'-P energy: -7.733 tors. eta vs tors. theta energy: -12.318 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: 9, replica: 1 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -209.993676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.993676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.993676 (E_RNA) where: Base-Base interactions energy: -139.187 where: short stacking energy: -69.519 Base-Backbone interact. energy: -0.023 local terms energy: -70.784397 where: bonds (distance) C4'-P energy: -14.932 bonds (distance) P-C4' energy: -16.559 flat angles C4'-P-C4' energy: -13.802 flat angles P-C4'-P energy: -7.797 tors. eta vs tors. theta energy: -17.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -202.602958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.602958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.602958 (E_RNA) where: Base-Base interactions energy: -130.077 where: short stacking energy: -54.985 Base-Backbone interact. energy: -0.346 local terms energy: -72.179882 where: bonds (distance) C4'-P energy: -14.653 bonds (distance) P-C4' energy: -17.237 flat angles C4'-P-C4' energy: -11.576 flat angles P-C4'-P energy: -12.924 tors. eta vs tors. theta energy: -15.790 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: 7 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -285.912609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.912609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.912609 (E_RNA) where: Base-Base interactions energy: -201.999 where: short stacking energy: -80.496 Base-Backbone interact. energy: -0.538 local terms energy: -83.376288 where: bonds (distance) C4'-P energy: -14.707 bonds (distance) P-C4' energy: -19.309 flat angles C4'-P-C4' energy: -19.352 flat angles P-C4'-P energy: -11.617 tors. eta vs tors. theta energy: -18.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -289.310761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.310761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.310761 (E_RNA) where: Base-Base interactions energy: -206.644 where: short stacking energy: -90.064 Base-Backbone interact. energy: -3.790 local terms energy: -78.877358 where: bonds (distance) C4'-P energy: -17.443 bonds (distance) P-C4' energy: -13.865 flat angles C4'-P-C4' energy: -16.939 flat angles P-C4'-P energy: -8.496 tors. eta vs tors. theta energy: -22.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -267.457642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.457642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.457642 (E_RNA) where: Base-Base interactions energy: -186.905 where: short stacking energy: -76.821 Base-Backbone interact. energy: -2.686 local terms energy: -77.866660 where: bonds (distance) C4'-P energy: -16.682 bonds (distance) P-C4' energy: -15.639 flat angles C4'-P-C4' energy: -17.595 flat angles P-C4'-P energy: -11.799 tors. eta vs tors. theta energy: -16.151 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: 4, replica: 4 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -249.815391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.815391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.815391 (E_RNA) where: Base-Base interactions energy: -170.810 where: short stacking energy: -89.597 Base-Backbone interact. energy: -0.288 local terms energy: -78.718024 where: bonds (distance) C4'-P energy: -15.453 bonds (distance) P-C4' energy: -18.426 flat angles C4'-P-C4' energy: -17.301 flat angles P-C4'-P energy: -6.553 tors. eta vs tors. theta energy: -20.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -242.062613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.062613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.062613 (E_RNA) where: Base-Base interactions energy: -165.832 where: short stacking energy: -77.846 Base-Backbone interact. energy: -0.290 local terms energy: -75.940195 where: bonds (distance) C4'-P energy: -11.901 bonds (distance) P-C4' energy: -15.917 flat angles C4'-P-C4' energy: -19.050 flat angles P-C4'-P energy: -7.238 tors. eta vs tors. theta energy: -21.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -229.620266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.620266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.620266 (E_RNA) where: Base-Base interactions energy: -152.453 where: short stacking energy: -79.676 Base-Backbone interact. energy: -0.056 local terms energy: -77.110912 where: bonds (distance) C4'-P energy: -15.751 bonds (distance) P-C4' energy: -18.322 flat angles C4'-P-C4' energy: -15.944 flat angles P-C4'-P energy: -7.785 tors. eta vs tors. theta energy: -19.309 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: 2 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -222.400868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.400868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.400868 (E_RNA) where: Base-Base interactions energy: -149.852 where: short stacking energy: -72.357 Base-Backbone interact. energy: -0.111 local terms energy: -72.438344 where: bonds (distance) C4'-P energy: -13.615 bonds (distance) P-C4' energy: -14.849 flat angles C4'-P-C4' energy: -15.055 flat angles P-C4'-P energy: -10.455 tors. eta vs tors. theta energy: -18.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -208.961985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.961985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.961985 (E_RNA) where: Base-Base interactions energy: -136.526 where: short stacking energy: -61.800 Base-Backbone interact. energy: -0.232 local terms energy: -72.203697 where: bonds (distance) C4'-P energy: -12.133 bonds (distance) P-C4' energy: -19.119 flat angles C4'-P-C4' energy: -18.413 flat angles P-C4'-P energy: -8.346 tors. eta vs tors. theta energy: -14.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -204.727280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.727280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.727280 (E_RNA) where: Base-Base interactions energy: -143.885 where: short stacking energy: -67.647 Base-Backbone interact. energy: -0.098 local terms energy: -60.743888 where: bonds (distance) C4'-P energy: -15.110 bonds (distance) P-C4' energy: -15.126 flat angles C4'-P-C4' energy: -15.161 flat angles P-C4'-P energy: -2.154 tors. eta vs tors. theta energy: -13.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -203.235451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.235451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.235451 (E_RNA) where: Base-Base interactions energy: -128.375 where: short stacking energy: -64.239 Base-Backbone interact. energy: -0.149 local terms energy: -74.711228 where: bonds (distance) C4'-P energy: -15.097 bonds (distance) P-C4' energy: -18.185 flat angles C4'-P-C4' energy: -17.152 flat angles P-C4'-P energy: -10.832 tors. eta vs tors. theta energy: -13.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -277.631456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.631456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.631456 (E_RNA) where: Base-Base interactions energy: -186.800 where: short stacking energy: -84.077 Base-Backbone interact. energy: -1.267 local terms energy: -89.564404 where: bonds (distance) C4'-P energy: -15.920 bonds (distance) P-C4' energy: -20.313 flat angles C4'-P-C4' energy: -17.306 flat angles P-C4'-P energy: -15.402 tors. eta vs tors. theta energy: -20.623 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: 6 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -291.840512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.840512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.840512 (E_RNA) where: Base-Base interactions energy: -201.575 where: short stacking energy: -91.572 Base-Backbone interact. energy: -2.553 local terms energy: -87.713230 where: bonds (distance) C4'-P energy: -16.993 bonds (distance) P-C4' energy: -19.489 flat angles C4'-P-C4' energy: -17.320 flat angles P-C4'-P energy: -10.262 tors. eta vs tors. theta energy: -23.649 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: 3, replica: 3 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -263.787312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.787312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.787312 (E_RNA) where: Base-Base interactions energy: -191.612 where: short stacking energy: -80.673 Base-Backbone interact. energy: -0.527 local terms energy: -71.648227 where: bonds (distance) C4'-P energy: -11.209 bonds (distance) P-C4' energy: -18.273 flat angles C4'-P-C4' energy: -18.430 flat angles P-C4'-P energy: -7.136 tors. eta vs tors. theta energy: -16.602 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: 4 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -242.081379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.081379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.081379 (E_RNA) where: Base-Base interactions energy: -162.906 where: short stacking energy: -81.742 Base-Backbone interact. energy: -0.375 local terms energy: -78.800367 where: bonds (distance) C4'-P energy: -18.039 bonds (distance) P-C4' energy: -16.311 flat angles C4'-P-C4' energy: -16.559 flat angles P-C4'-P energy: -10.988 tors. eta vs tors. theta energy: -16.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -238.407474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.407474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.407474 (E_RNA) where: Base-Base interactions energy: -159.775 where: short stacking energy: -81.398 Base-Backbone interact. energy: -0.895 local terms energy: -77.737466 where: bonds (distance) C4'-P energy: -14.595 bonds (distance) P-C4' energy: -14.366 flat angles C4'-P-C4' energy: -18.508 flat angles P-C4'-P energy: -8.653 tors. eta vs tors. theta energy: -21.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -228.142612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.142612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.142612 (E_RNA) where: Base-Base interactions energy: -152.378 where: short stacking energy: -76.861 Base-Backbone interact. energy: -0.265 local terms energy: -75.499567 where: bonds (distance) C4'-P energy: -13.751 bonds (distance) P-C4' energy: -16.334 flat angles C4'-P-C4' energy: -15.093 flat angles P-C4'-P energy: -10.099 tors. eta vs tors. theta energy: -20.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -220.323894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.323894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.323894 (E_RNA) where: Base-Base interactions energy: -158.695 where: short stacking energy: -76.425 Base-Backbone interact. energy: -0.433 local terms energy: -61.196512 where: bonds (distance) C4'-P energy: -11.420 bonds (distance) P-C4' energy: -12.832 flat angles C4'-P-C4' energy: -16.425 flat angles P-C4'-P energy: -3.107 tors. eta vs tors. theta energy: -17.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -216.746014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.746014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.746014 (E_RNA) where: Base-Base interactions energy: -146.037 where: short stacking energy: -70.828 Base-Backbone interact. energy: -0.103 local terms energy: -70.606041 where: bonds (distance) C4'-P energy: -14.541 bonds (distance) P-C4' energy: -13.267 flat angles C4'-P-C4' energy: -14.940 flat angles P-C4'-P energy: -11.753 tors. eta vs tors. theta energy: -16.104 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: 9 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -209.046953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.046953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.046953 (E_RNA) where: Base-Base interactions energy: -141.407 where: short stacking energy: -67.326 Base-Backbone interact. energy: -0.110 local terms energy: -67.530280 where: bonds (distance) C4'-P energy: -20.267 bonds (distance) P-C4' energy: -19.221 flat angles C4'-P-C4' energy: -10.121 flat angles P-C4'-P energy: -1.497 tors. eta vs tors. theta energy: -16.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -197.852230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.852230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.852230 (E_RNA) where: Base-Base interactions energy: -134.203 where: short stacking energy: -55.958 Base-Backbone interact. energy: -0.990 local terms energy: -62.658733 where: bonds (distance) C4'-P energy: -9.918 bonds (distance) P-C4' energy: -16.730 flat angles C4'-P-C4' energy: -15.148 flat angles P-C4'-P energy: -9.854 tors. eta vs tors. theta energy: -11.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -275.606607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.606607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.606607 (E_RNA) where: Base-Base interactions energy: -188.430 where: short stacking energy: -86.971 Base-Backbone interact. energy: -1.270 local terms energy: -85.906356 where: bonds (distance) C4'-P energy: -18.094 bonds (distance) P-C4' energy: -19.429 flat angles C4'-P-C4' energy: -16.547 flat angles P-C4'-P energy: -13.657 tors. eta vs tors. theta energy: -18.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -296.491500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.491500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.491500 (E_RNA) where: Base-Base interactions energy: -210.428 where: short stacking energy: -90.276 Base-Backbone interact. energy: -1.138 local terms energy: -84.925847 where: bonds (distance) C4'-P energy: -17.631 bonds (distance) P-C4' energy: -16.221 flat angles C4'-P-C4' energy: -16.641 flat angles P-C4'-P energy: -12.821 tors. eta vs tors. theta energy: -21.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -261.404510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.404510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.404510 (E_RNA) where: Base-Base interactions energy: -178.773 where: short stacking energy: -76.371 Base-Backbone interact. energy: -0.568 local terms energy: -82.063532 where: bonds (distance) C4'-P energy: -17.420 bonds (distance) P-C4' energy: -17.076 flat angles C4'-P-C4' energy: -19.862 flat angles P-C4'-P energy: -11.526 tors. eta vs tors. theta energy: -16.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -238.420133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.420133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.420133 (E_RNA) where: Base-Base interactions energy: -157.682 where: short stacking energy: -78.033 Base-Backbone interact. energy: -0.027 local terms energy: -80.711715 where: bonds (distance) C4'-P energy: -16.769 bonds (distance) P-C4' energy: -15.709 flat angles C4'-P-C4' energy: -17.088 flat angles P-C4'-P energy: -9.757 tors. eta vs tors. theta energy: -21.388 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: 4 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -225.791176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.791176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.791176 (E_RNA) where: Base-Base interactions energy: -144.690 where: short stacking energy: -75.081 Base-Backbone interact. energy: -0.656 local terms energy: -80.444929 where: bonds (distance) C4'-P energy: -16.308 bonds (distance) P-C4' energy: -14.483 flat angles C4'-P-C4' energy: -17.241 flat angles P-C4'-P energy: -11.530 tors. eta vs tors. theta energy: -20.884 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: 1 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -238.651592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.651592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.651592 (E_RNA) where: Base-Base interactions energy: -165.095 where: short stacking energy: -65.342 Base-Backbone interact. energy: -1.250 local terms energy: -72.306818 where: bonds (distance) C4'-P energy: -15.742 bonds (distance) P-C4' energy: -19.317 flat angles C4'-P-C4' energy: -16.981 flat angles P-C4'-P energy: -8.735 tors. eta vs tors. theta energy: -11.533 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: 10 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -222.942857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.942857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.942857 (E_RNA) where: Base-Base interactions energy: -153.788 where: short stacking energy: -72.184 Base-Backbone interact. energy: -0.572 local terms energy: -68.582436 where: bonds (distance) C4'-P energy: -14.550 bonds (distance) P-C4' energy: -9.900 flat angles C4'-P-C4' energy: -17.925 flat angles P-C4'-P energy: -6.621 tors. eta vs tors. theta energy: -19.586 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: 2 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -226.871981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.871981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.871981 (E_RNA) where: Base-Base interactions energy: -175.166 where: short stacking energy: -76.511 Base-Backbone interact. energy: 2.808 local terms energy: -54.514390 where: bonds (distance) C4'-P energy: -10.616 bonds (distance) P-C4' energy: -15.768 flat angles C4'-P-C4' energy: -8.715 flat angles P-C4'-P energy: -7.401 tors. eta vs tors. theta energy: -12.015 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: 9 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -199.225843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.225843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.225843 (E_RNA) where: Base-Base interactions energy: -125.739 where: short stacking energy: -59.612 Base-Backbone interact. energy: -0.823 local terms energy: -72.663853 where: bonds (distance) C4'-P energy: -14.620 bonds (distance) P-C4' energy: -18.340 flat angles C4'-P-C4' energy: -11.975 flat angles P-C4'-P energy: -13.213 tors. eta vs tors. theta energy: -14.516 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: 10, replica: 8 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -197.828807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.828807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.828807 (E_RNA) where: Base-Base interactions energy: -136.923 where: short stacking energy: -58.488 Base-Backbone interact. energy: 2.489 local terms energy: -63.394507 where: bonds (distance) C4'-P energy: -9.062 bonds (distance) P-C4' energy: -18.383 flat angles C4'-P-C4' energy: -17.735 flat angles P-C4'-P energy: -4.546 tors. eta vs tors. theta energy: -13.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -287.746725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.746725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.746725 (E_RNA) where: Base-Base interactions energy: -203.214 where: short stacking energy: -90.818 Base-Backbone interact. energy: -1.231 local terms energy: -83.301882 where: bonds (distance) C4'-P energy: -17.033 bonds (distance) P-C4' energy: -17.110 flat angles C4'-P-C4' energy: -20.289 flat angles P-C4'-P energy: -9.845 tors. eta vs tors. theta energy: -19.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -270.750533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.750533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.750533 (E_RNA) where: Base-Base interactions energy: -188.234 where: short stacking energy: -82.900 Base-Backbone interact. energy: 3.325 local terms energy: -85.841015 where: bonds (distance) C4'-P energy: -17.812 bonds (distance) P-C4' energy: -20.578 flat angles C4'-P-C4' energy: -17.362 flat angles P-C4'-P energy: -14.005 tors. eta vs tors. theta energy: -16.083 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: 5 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -240.402478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.402478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.402478 (E_RNA) where: Base-Base interactions energy: -157.017 where: short stacking energy: -75.857 Base-Backbone interact. energy: 0.435 local terms energy: -83.820170 where: bonds (distance) C4'-P energy: -18.338 bonds (distance) P-C4' energy: -15.720 flat angles C4'-P-C4' energy: -17.756 flat angles P-C4'-P energy: -14.438 tors. eta vs tors. theta energy: -17.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -272.323828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.323828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.323828 (E_RNA) where: Base-Base interactions energy: -195.658 where: short stacking energy: -77.486 Base-Backbone interact. energy: -0.670 local terms energy: -75.995287 where: bonds (distance) C4'-P energy: -14.049 bonds (distance) P-C4' energy: -17.371 flat angles C4'-P-C4' energy: -18.204 flat angles P-C4'-P energy: -8.698 tors. eta vs tors. theta energy: -17.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -256.679262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.679262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.679262 (E_RNA) where: Base-Base interactions energy: -186.203 where: short stacking energy: -87.268 Base-Backbone interact. energy: -0.412 local terms energy: -70.064116 where: bonds (distance) C4'-P energy: -13.499 bonds (distance) P-C4' energy: -13.513 flat angles C4'-P-C4' energy: -16.200 flat angles P-C4'-P energy: -8.703 tors. eta vs tors. theta energy: -18.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -236.527037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.527037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.527037 (E_RNA) where: Base-Base interactions energy: -159.818 where: short stacking energy: -77.354 Base-Backbone interact. energy: -1.131 local terms energy: -75.577909 where: bonds (distance) C4'-P energy: -11.925 bonds (distance) P-C4' energy: -15.378 flat angles C4'-P-C4' energy: -15.895 flat angles P-C4'-P energy: -12.692 tors. eta vs tors. theta energy: -19.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -212.072411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.072411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.072411 (E_RNA) where: Base-Base interactions energy: -136.841 where: short stacking energy: -55.929 Base-Backbone interact. energy: -0.351 local terms energy: -74.880299 where: bonds (distance) C4'-P energy: -16.737 bonds (distance) P-C4' energy: -19.152 flat angles C4'-P-C4' energy: -17.362 flat angles P-C4'-P energy: -12.644 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: 8, replica: 10 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -211.380042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.380042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.380042 (E_RNA) where: Base-Base interactions energy: -140.488 where: short stacking energy: -63.059 Base-Backbone interact. energy: -0.092 local terms energy: -70.799479 where: bonds (distance) C4'-P energy: -15.942 bonds (distance) P-C4' energy: -11.739 flat angles C4'-P-C4' energy: -18.058 flat angles P-C4'-P energy: -10.660 tors. eta vs tors. theta energy: -14.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -231.574862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.574862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.574862 (E_RNA) where: Base-Base interactions energy: -155.327 where: short stacking energy: -80.061 Base-Backbone interact. energy: -0.155 local terms energy: -76.092785 where: bonds (distance) C4'-P energy: -15.882 bonds (distance) P-C4' energy: -14.859 flat angles C4'-P-C4' energy: -15.796 flat angles P-C4'-P energy: -9.220 tors. eta vs tors. theta energy: -20.336 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: 8 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -178.794981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.794981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.794981 (E_RNA) where: Base-Base interactions energy: -116.948 where: short stacking energy: -65.702 Base-Backbone interact. energy: -0.162 local terms energy: -61.685553 where: bonds (distance) C4'-P energy: -16.511 bonds (distance) P-C4' energy: -12.725 flat angles C4'-P-C4' energy: -13.196 flat angles P-C4'-P energy: -7.989 tors. eta vs tors. theta energy: -11.264 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: 1, replica: 6 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -293.201549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.201549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.201549 (E_RNA) where: Base-Base interactions energy: -215.850 where: short stacking energy: -88.309 Base-Backbone interact. energy: -1.109 local terms energy: -76.242542 where: bonds (distance) C4'-P energy: -16.422 bonds (distance) P-C4' energy: -13.954 flat angles C4'-P-C4' energy: -19.821 flat angles P-C4'-P energy: -10.121 tors. eta vs tors. theta energy: -15.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -285.552806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.552806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.552806 (E_RNA) where: Base-Base interactions energy: -202.816 where: short stacking energy: -85.180 Base-Backbone interact. energy: -1.305 local terms energy: -81.431768 where: bonds (distance) C4'-P energy: -16.235 bonds (distance) P-C4' energy: -19.614 flat angles C4'-P-C4' energy: -17.579 flat angles P-C4'-P energy: -10.417 tors. eta vs tors. theta energy: -17.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -233.811290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.811290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.811290 (E_RNA) where: Base-Base interactions energy: -158.896 where: short stacking energy: -76.860 Base-Backbone interact. energy: -0.055 local terms energy: -74.860784 where: bonds (distance) C4'-P energy: -16.471 bonds (distance) P-C4' energy: -17.341 flat angles C4'-P-C4' energy: -19.529 flat angles P-C4'-P energy: -6.789 tors. eta vs tors. theta energy: -14.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -260.611324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.611324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.611324 (E_RNA) where: Base-Base interactions energy: -182.416 where: short stacking energy: -79.687 Base-Backbone interact. energy: -0.271 local terms energy: -77.923580 where: bonds (distance) C4'-P energy: -16.563 bonds (distance) P-C4' energy: -16.083 flat angles C4'-P-C4' energy: -15.517 flat angles P-C4'-P energy: -11.313 tors. eta vs tors. theta energy: -18.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -272.644712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.644712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.644712 (E_RNA) where: Base-Base interactions energy: -200.214 where: short stacking energy: -87.791 Base-Backbone interact. energy: -0.836 local terms energy: -71.595038 where: bonds (distance) C4'-P energy: -13.829 bonds (distance) P-C4' energy: -13.975 flat angles C4'-P-C4' energy: -14.443 flat angles P-C4'-P energy: -8.732 tors. eta vs tors. theta energy: -20.616 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: 4 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -235.995933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.995933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.995933 (E_RNA) where: Base-Base interactions energy: -158.551 where: short stacking energy: -76.756 Base-Backbone interact. energy: -0.057 local terms energy: -77.387706 where: bonds (distance) C4'-P energy: -13.793 bonds (distance) P-C4' energy: -12.841 flat angles C4'-P-C4' energy: -17.585 flat angles P-C4'-P energy: -14.187 tors. eta vs tors. theta energy: -18.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -241.566676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.566676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.566676 (E_RNA) where: Base-Base interactions energy: -162.340 where: short stacking energy: -79.443 Base-Backbone interact. energy: -0.106 local terms energy: -79.120866 where: bonds (distance) C4'-P energy: -13.234 bonds (distance) P-C4' energy: -19.700 flat angles C4'-P-C4' energy: -17.877 flat angles P-C4'-P energy: -9.119 tors. eta vs tors. theta energy: -19.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -211.071676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.071676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.071676 (E_RNA) where: Base-Base interactions energy: -145.472 where: short stacking energy: -70.648 Base-Backbone interact. energy: -0.003 local terms energy: -65.597024 where: bonds (distance) C4'-P energy: -9.508 bonds (distance) P-C4' energy: -16.520 flat angles C4'-P-C4' energy: -14.432 flat angles P-C4'-P energy: -5.104 tors. eta vs tors. theta energy: -20.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -206.957541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.957541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.957541 (E_RNA) where: Base-Base interactions energy: -137.794 where: short stacking energy: -58.478 Base-Backbone interact. energy: -0.594 local terms energy: -68.569662 where: bonds (distance) C4'-P energy: -8.581 bonds (distance) P-C4' energy: -17.319 flat angles C4'-P-C4' energy: -17.187 flat angles P-C4'-P energy: -14.900 tors. eta vs tors. theta energy: -10.583 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: 8 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -195.277738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.277738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.277738 (E_RNA) where: Base-Base interactions energy: -135.455 where: short stacking energy: -58.921 Base-Backbone interact. energy: -0.476 local terms energy: -59.346531 where: bonds (distance) C4'-P energy: -15.738 bonds (distance) P-C4' energy: -12.078 flat angles C4'-P-C4' energy: -12.446 flat angles P-C4'-P energy: -10.908 tors. eta vs tors. theta energy: -8.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -297.112143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.112143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.112143 (E_RNA) where: Base-Base interactions energy: -203.313 where: short stacking energy: -92.103 Base-Backbone interact. energy: -0.821 local terms energy: -92.978595 where: bonds (distance) C4'-P energy: -16.755 bonds (distance) P-C4' energy: -19.418 flat angles C4'-P-C4' energy: -19.493 flat angles P-C4'-P energy: -13.992 tors. eta vs tors. theta energy: -23.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -278.805853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.805853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.805853 (E_RNA) where: Base-Base interactions energy: -192.406 where: short stacking energy: -81.064 Base-Backbone interact. energy: -0.460 local terms energy: -85.940724 where: bonds (distance) C4'-P energy: -20.222 bonds (distance) P-C4' energy: -17.945 flat angles C4'-P-C4' energy: -18.193 flat angles P-C4'-P energy: -7.886 tors. eta vs tors. theta energy: -21.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -267.278562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.278562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.278562 (E_RNA) where: Base-Base interactions energy: -192.248 where: short stacking energy: -80.212 Base-Backbone interact. energy: -0.386 local terms energy: -74.645303 where: bonds (distance) C4'-P energy: -16.484 bonds (distance) P-C4' energy: -15.046 flat angles C4'-P-C4' energy: -18.926 flat angles P-C4'-P energy: -8.009 tors. eta vs tors. theta energy: -16.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -243.719899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.719899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.719899 (E_RNA) where: Base-Base interactions energy: -167.434 where: short stacking energy: -84.228 Base-Backbone interact. energy: -0.332 local terms energy: -75.954432 where: bonds (distance) C4'-P energy: -13.416 bonds (distance) P-C4' energy: -15.940 flat angles C4'-P-C4' energy: -17.903 flat angles P-C4'-P energy: -10.307 tors. eta vs tors. theta energy: -18.388 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: 294 Temperature: 1.100000 Total energy: -264.109516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.109516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.109516 (E_RNA) where: Base-Base interactions energy: -193.543 where: short stacking energy: -79.553 Base-Backbone interact. energy: -0.411 local terms energy: -70.155045 where: bonds (distance) C4'-P energy: -10.373 bonds (distance) P-C4' energy: -16.264 flat angles C4'-P-C4' energy: -13.843 flat angles P-C4'-P energy: -8.887 tors. eta vs tors. theta energy: -20.788 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: 294 Temperature: 1.150000 Total energy: -208.604098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.604098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.604098 (E_RNA) where: Base-Base interactions energy: -145.218 where: short stacking energy: -69.757 Base-Backbone interact. energy: -0.203 local terms energy: -63.183735 where: bonds (distance) C4'-P energy: -9.309 bonds (distance) P-C4' energy: -16.890 flat angles C4'-P-C4' energy: -16.515 flat angles P-C4'-P energy: -10.589 tors. eta vs tors. theta energy: -9.881 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: 2 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -231.909717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.909717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.909717 (E_RNA) where: Base-Base interactions energy: -155.945 where: short stacking energy: -79.745 Base-Backbone interact. energy: 0.579 local terms energy: -76.543098 where: bonds (distance) C4'-P energy: -13.163 bonds (distance) P-C4' energy: -16.572 flat angles C4'-P-C4' energy: -15.748 flat angles P-C4'-P energy: -11.169 tors. eta vs tors. theta energy: -19.891 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: 9 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -198.725853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.725853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.725853 (E_RNA) where: Base-Base interactions energy: -142.012 where: short stacking energy: -63.734 Base-Backbone interact. energy: -0.932 local terms energy: -55.781508 where: bonds (distance) C4'-P energy: -3.952 bonds (distance) P-C4' energy: -15.324 flat angles C4'-P-C4' energy: -17.687 flat angles P-C4'-P energy: -7.689 tors. eta vs tors. theta energy: -11.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -194.865130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.865130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.865130 (E_RNA) where: Base-Base interactions energy: -126.771 where: short stacking energy: -56.752 Base-Backbone interact. energy: -0.133 local terms energy: -67.961640 where: bonds (distance) C4'-P energy: -16.500 bonds (distance) P-C4' energy: -15.236 flat angles C4'-P-C4' energy: -14.109 flat angles P-C4'-P energy: -8.795 tors. eta vs tors. theta energy: -13.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -197.782551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.782551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.782551 (E_RNA) where: Base-Base interactions energy: -135.162 where: short stacking energy: -61.589 Base-Backbone interact. energy: -0.548 local terms energy: -62.073525 where: bonds (distance) C4'-P energy: -15.857 bonds (distance) P-C4' energy: -15.065 flat angles C4'-P-C4' energy: -15.331 flat angles P-C4'-P energy: -7.737 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: 1, replica: 7 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -282.794433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.794433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.794433 (E_RNA) where: Base-Base interactions energy: -200.009 where: short stacking energy: -91.317 Base-Backbone interact. energy: -1.126 local terms energy: -81.658784 where: bonds (distance) C4'-P energy: -13.811 bonds (distance) P-C4' energy: -15.303 flat angles C4'-P-C4' energy: -17.925 flat angles P-C4'-P energy: -12.418 tors. eta vs tors. theta energy: -22.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -272.468625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.468625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.468625 (E_RNA) where: Base-Base interactions energy: -187.944 where: short stacking energy: -81.359 Base-Backbone interact. energy: -1.319 local terms energy: -83.206216 where: bonds (distance) C4'-P energy: -18.114 bonds (distance) P-C4' energy: -16.233 flat angles C4'-P-C4' energy: -17.828 flat angles P-C4'-P energy: -11.061 tors. eta vs tors. theta energy: -19.971 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: 3, replica: 6 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -269.292290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.292290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.292290 (E_RNA) where: Base-Base interactions energy: -194.704 where: short stacking energy: -79.249 Base-Backbone interact. energy: -3.546 local terms energy: -71.042567 where: bonds (distance) C4'-P energy: -13.995 bonds (distance) P-C4' energy: -14.029 flat angles C4'-P-C4' energy: -17.091 flat angles P-C4'-P energy: -9.641 tors. eta vs tors. theta energy: -16.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -274.888427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.888427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.888427 (E_RNA) where: Base-Base interactions energy: -192.715 where: short stacking energy: -91.793 Base-Backbone interact. energy: -0.650 local terms energy: -81.523428 where: bonds (distance) C4'-P energy: -13.238 bonds (distance) P-C4' energy: -14.302 flat angles C4'-P-C4' energy: -20.650 flat angles P-C4'-P energy: -12.535 tors. eta vs tors. theta energy: -20.798 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: 5 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -237.169345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.169345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.169345 (E_RNA) where: Base-Base interactions energy: -170.347 where: short stacking energy: -74.393 Base-Backbone interact. energy: -0.134 local terms energy: -66.688453 where: bonds (distance) C4'-P energy: -13.250 bonds (distance) P-C4' energy: -13.816 flat angles C4'-P-C4' energy: -13.807 flat angles P-C4'-P energy: -6.860 tors. eta vs tors. theta energy: -18.955 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: 2 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -217.336506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.336506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.336506 (E_RNA) where: Base-Base interactions energy: -150.247 where: short stacking energy: -67.460 Base-Backbone interact. energy: -0.068 local terms energy: -67.022236 where: bonds (distance) C4'-P energy: -9.303 bonds (distance) P-C4' energy: -13.536 flat angles C4'-P-C4' energy: -16.279 flat angles P-C4'-P energy: -11.133 tors. eta vs tors. theta energy: -16.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -223.197771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.197771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.197771 (E_RNA) where: Base-Base interactions energy: -155.659 where: short stacking energy: -74.780 Base-Backbone interact. energy: -0.294 local terms energy: -67.244556 where: bonds (distance) C4'-P energy: -17.551 bonds (distance) P-C4' energy: -15.529 flat angles C4'-P-C4' energy: -16.200 flat angles P-C4'-P energy: -6.606 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: 8, replica: 9 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -227.319541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.319541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.319541 (E_RNA) where: Base-Base interactions energy: -154.034 where: short stacking energy: -82.745 Base-Backbone interact. energy: -0.044 local terms energy: -73.241667 where: bonds (distance) C4'-P energy: -14.745 bonds (distance) P-C4' energy: -14.747 flat angles C4'-P-C4' energy: -18.561 flat angles P-C4'-P energy: -4.886 tors. eta vs tors. theta energy: -20.304 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: 10 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -206.386734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.386734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.386734 (E_RNA) where: Base-Base interactions energy: -139.793 where: short stacking energy: -63.481 Base-Backbone interact. energy: -0.151 local terms energy: -66.442721 where: bonds (distance) C4'-P energy: -15.850 bonds (distance) P-C4' energy: -10.350 flat angles C4'-P-C4' energy: -15.173 flat angles P-C4'-P energy: -6.283 tors. eta vs tors. theta energy: -18.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -203.197032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.197032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.197032 (E_RNA) where: Base-Base interactions energy: -136.471 where: short stacking energy: -64.481 Base-Backbone interact. energy: -1.952 local terms energy: -64.773934 where: bonds (distance) C4'-P energy: -16.305 bonds (distance) P-C4' energy: -12.331 flat angles C4'-P-C4' energy: -15.019 flat angles P-C4'-P energy: -5.654 tors. eta vs tors. theta energy: -15.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -288.274222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.274222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.274222 (E_RNA) where: Base-Base interactions energy: -205.914 where: short stacking energy: -93.024 Base-Backbone interact. energy: -1.288 local terms energy: -81.072201 where: bonds (distance) C4'-P energy: -14.877 bonds (distance) P-C4' energy: -16.622 flat angles C4'-P-C4' energy: -18.119 flat angles P-C4'-P energy: -9.342 tors. eta vs tors. theta energy: -22.112 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: 7 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -281.459113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.459113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.459113 (E_RNA) where: Base-Base interactions energy: -200.628 where: short stacking energy: -83.778 Base-Backbone interact. energy: -0.628 local terms energy: -80.202401 where: bonds (distance) C4'-P energy: -14.393 bonds (distance) P-C4' energy: -16.844 flat angles C4'-P-C4' energy: -15.559 flat angles P-C4'-P energy: -9.649 tors. eta vs tors. theta energy: -23.758 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: 296 Temperature: 1.000000 Total energy: -289.149795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.149795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.149795 (E_RNA) where: Base-Base interactions energy: -210.873 where: short stacking energy: -84.549 Base-Backbone interact. energy: -0.614 local terms energy: -77.661933 where: bonds (distance) C4'-P energy: -16.242 bonds (distance) P-C4' energy: -17.606 flat angles C4'-P-C4' energy: -19.415 flat angles P-C4'-P energy: -6.694 tors. eta vs tors. theta energy: -17.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -262.907017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.907017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.907017 (E_RNA) where: Base-Base interactions energy: -180.200 where: short stacking energy: -72.436 Base-Backbone interact. energy: -1.344 local terms energy: -81.362327 where: bonds (distance) C4'-P energy: -14.566 bonds (distance) P-C4' energy: -19.306 flat angles C4'-P-C4' energy: -19.205 flat angles P-C4'-P energy: -8.830 tors. eta vs tors. theta energy: -19.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -229.992902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.992902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.992902 (E_RNA) where: Base-Base interactions energy: -160.018 where: short stacking energy: -80.348 Base-Backbone interact. energy: -0.142 local terms energy: -69.833074 where: bonds (distance) C4'-P energy: -10.630 bonds (distance) P-C4' energy: -17.429 flat angles C4'-P-C4' energy: -15.096 flat angles P-C4'-P energy: -11.646 tors. eta vs tors. theta energy: -15.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -229.435492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.435492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.435492 (E_RNA) where: Base-Base interactions energy: -160.397 where: short stacking energy: -73.675 Base-Backbone interact. energy: -0.122 local terms energy: -68.916299 where: bonds (distance) C4'-P energy: -12.214 bonds (distance) P-C4' energy: -16.601 flat angles C4'-P-C4' energy: -17.613 flat angles P-C4'-P energy: -6.573 tors. eta vs tors. theta energy: -15.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -211.379508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.379508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.379508 (E_RNA) where: Base-Base interactions energy: -145.841 where: short stacking energy: -65.641 Base-Backbone interact. energy: -0.013 local terms energy: -65.525028 where: bonds (distance) C4'-P energy: -11.031 bonds (distance) P-C4' energy: -15.554 flat angles C4'-P-C4' energy: -15.615 flat angles P-C4'-P energy: -7.139 tors. eta vs tors. theta energy: -16.186 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: 296 Temperature: 1.250000 Total energy: -206.959629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.959629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.959629 (E_RNA) where: Base-Base interactions energy: -141.836 where: short stacking energy: -66.750 Base-Backbone interact. energy: -0.053 local terms energy: -65.070088 where: bonds (distance) C4'-P energy: -13.852 bonds (distance) P-C4' energy: -13.859 flat angles C4'-P-C4' energy: -13.656 flat angles P-C4'-P energy: -6.996 tors. eta vs tors. theta energy: -16.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -198.177730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.177730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.177730 (E_RNA) where: Base-Base interactions energy: -132.995 where: short stacking energy: -55.296 Base-Backbone interact. energy: -0.070 local terms energy: -65.112588 where: bonds (distance) C4'-P energy: -15.860 bonds (distance) P-C4' energy: -11.428 flat angles C4'-P-C4' energy: -17.455 flat angles P-C4'-P energy: -10.793 tors. eta vs tors. theta energy: -9.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -206.098777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.098777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.098777 (E_RNA) where: Base-Base interactions energy: -139.649 where: short stacking energy: -65.576 Base-Backbone interact. energy: -0.031 local terms energy: -66.418543 where: bonds (distance) C4'-P energy: -14.865 bonds (distance) P-C4' energy: -10.851 flat angles C4'-P-C4' energy: -16.527 flat angles P-C4'-P energy: -8.858 tors. eta vs tors. theta energy: -15.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -288.958645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.958645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.958645 (E_RNA) where: Base-Base interactions energy: -200.255 where: short stacking energy: -83.300 Base-Backbone interact. energy: 0.287 local terms energy: -88.990700 where: bonds (distance) C4'-P energy: -17.531 bonds (distance) P-C4' energy: -20.380 flat angles C4'-P-C4' energy: -19.239 flat angles P-C4'-P energy: -10.736 tors. eta vs tors. theta energy: -21.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -284.787197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.787197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.787197 (E_RNA) where: Base-Base interactions energy: -202.728 where: short stacking energy: -83.882 Base-Backbone interact. energy: -1.796 local terms energy: -80.263256 where: bonds (distance) C4'-P energy: -16.431 bonds (distance) P-C4' energy: -17.831 flat angles C4'-P-C4' energy: -16.742 flat angles P-C4'-P energy: -8.880 tors. eta vs tors. theta energy: -20.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -271.739760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.739760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.739760 (E_RNA) where: Base-Base interactions energy: -187.775 where: short stacking energy: -78.373 Base-Backbone interact. energy: -0.684 local terms energy: -83.281031 where: bonds (distance) C4'-P energy: -14.958 bonds (distance) P-C4' energy: -17.770 flat angles C4'-P-C4' energy: -18.315 flat angles P-C4'-P energy: -12.141 tors. eta vs tors. theta energy: -20.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -254.440666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.440666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.440666 (E_RNA) where: Base-Base interactions energy: -171.898 where: short stacking energy: -83.935 Base-Backbone interact. energy: 0.820 local terms energy: -83.362424 where: bonds (distance) C4'-P energy: -16.723 bonds (distance) P-C4' energy: -18.531 flat angles C4'-P-C4' energy: -14.281 flat angles P-C4'-P energy: -15.756 tors. eta vs tors. theta energy: -18.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -265.773008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.773008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.773008 (E_RNA) where: Base-Base interactions energy: -189.508 where: short stacking energy: -81.750 Base-Backbone interact. energy: -0.647 local terms energy: -75.618024 where: bonds (distance) C4'-P energy: -12.319 bonds (distance) P-C4' energy: -19.432 flat angles C4'-P-C4' energy: -15.455 flat angles P-C4'-P energy: -9.698 tors. eta vs tors. theta energy: -18.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -222.562271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.562271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.562271 (E_RNA) where: Base-Base interactions energy: -155.197 where: short stacking energy: -78.132 Base-Backbone interact. energy: -0.052 local terms energy: -67.312428 where: bonds (distance) C4'-P energy: -14.390 bonds (distance) P-C4' energy: -8.943 flat angles C4'-P-C4' energy: -18.405 flat angles P-C4'-P energy: -4.167 tors. eta vs tors. theta energy: -21.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -231.012889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.012889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.012889 (E_RNA) where: Base-Base interactions energy: -154.235 where: short stacking energy: -75.394 Base-Backbone interact. energy: -0.353 local terms energy: -76.425471 where: bonds (distance) C4'-P energy: -16.939 bonds (distance) P-C4' energy: -17.722 flat angles C4'-P-C4' energy: -15.202 flat angles P-C4'-P energy: -5.989 tors. eta vs tors. theta energy: -20.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -201.472009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.472009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.472009 (E_RNA) where: Base-Base interactions energy: -131.684 where: short stacking energy: -66.068 Base-Backbone interact. energy: -0.501 local terms energy: -69.287376 where: bonds (distance) C4'-P energy: -12.135 bonds (distance) P-C4' energy: -16.214 flat angles C4'-P-C4' energy: -18.465 flat angles P-C4'-P energy: -4.900 tors. eta vs tors. theta energy: -17.573 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: 4 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -208.089829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.089829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.089829 (E_RNA) where: Base-Base interactions energy: -137.955 where: short stacking energy: -64.910 Base-Backbone interact. energy: -0.644 local terms energy: -69.490837 where: bonds (distance) C4'-P energy: -15.841 bonds (distance) P-C4' energy: -13.857 flat angles C4'-P-C4' energy: -12.460 flat angles P-C4'-P energy: -10.211 tors. eta vs tors. theta energy: -17.122 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: 297 Temperature: 1.350000 Total energy: -196.662635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.662635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.662635 (E_RNA) where: Base-Base interactions energy: -134.757 where: short stacking energy: -63.855 Base-Backbone interact. energy: -0.398 local terms energy: -61.508295 where: bonds (distance) C4'-P energy: -12.346 bonds (distance) P-C4' energy: -12.710 flat angles C4'-P-C4' energy: -16.801 flat angles P-C4'-P energy: -7.496 tors. eta vs tors. theta energy: -12.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -281.011585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.011585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.011585 (E_RNA) where: Base-Base interactions energy: -200.700 where: short stacking energy: -95.208 Base-Backbone interact. energy: -0.312 local terms energy: -79.999722 where: bonds (distance) C4'-P energy: -16.661 bonds (distance) P-C4' energy: -17.967 flat angles C4'-P-C4' energy: -16.844 flat angles P-C4'-P energy: -9.585 tors. eta vs tors. theta energy: -18.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -289.219216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.219216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.219216 (E_RNA) where: Base-Base interactions energy: -208.198 where: short stacking energy: -89.670 Base-Backbone interact. energy: -0.713 local terms energy: -80.308055 where: bonds (distance) C4'-P energy: -16.691 bonds (distance) P-C4' energy: -15.926 flat angles C4'-P-C4' energy: -17.981 flat angles P-C4'-P energy: -7.733 tors. eta vs tors. theta energy: -21.978 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: 3, replica: 5 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -263.003410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.003410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.003410 (E_RNA) where: Base-Base interactions energy: -190.840 where: short stacking energy: -81.302 Base-Backbone interact. energy: 1.827 local terms energy: -73.990342 where: bonds (distance) C4'-P energy: -10.467 bonds (distance) P-C4' energy: -15.613 flat angles C4'-P-C4' energy: -19.715 flat angles P-C4'-P energy: -12.367 tors. eta vs tors. theta energy: -15.828 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: 3 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -266.983177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.983177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.983177 (E_RNA) where: Base-Base interactions energy: -189.385 where: short stacking energy: -81.382 Base-Backbone interact. energy: -1.987 local terms energy: -75.611624 where: bonds (distance) C4'-P energy: -14.361 bonds (distance) P-C4' energy: -15.821 flat angles C4'-P-C4' energy: -15.647 flat angles P-C4'-P energy: -12.964 tors. eta vs tors. theta energy: -16.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -257.251334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.251334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.251334 (E_RNA) where: Base-Base interactions energy: -189.162 where: short stacking energy: -89.243 Base-Backbone interact. energy: 2.039 local terms energy: -70.128875 where: bonds (distance) C4'-P energy: -13.801 bonds (distance) P-C4' energy: -16.268 flat angles C4'-P-C4' energy: -13.727 flat angles P-C4'-P energy: -9.306 tors. eta vs tors. theta energy: -17.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -217.120814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.120814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.120814 (E_RNA) where: Base-Base interactions energy: -144.676 where: short stacking energy: -68.428 Base-Backbone interact. energy: -0.020 local terms energy: -72.424737 where: bonds (distance) C4'-P energy: -13.556 bonds (distance) P-C4' energy: -17.656 flat angles C4'-P-C4' energy: -13.636 flat angles P-C4'-P energy: -13.488 tors. eta vs tors. theta energy: -14.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -230.012374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.012374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.012374 (E_RNA) where: Base-Base interactions energy: -149.131 where: short stacking energy: -74.112 Base-Backbone interact. energy: -0.578 local terms energy: -80.304274 where: bonds (distance) C4'-P energy: -15.498 bonds (distance) P-C4' energy: -18.881 flat angles C4'-P-C4' energy: -18.484 flat angles P-C4'-P energy: -6.536 tors. eta vs tors. theta energy: -20.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -213.816211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.816211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.816211 (E_RNA) where: Base-Base interactions energy: -141.632 where: short stacking energy: -61.589 Base-Backbone interact. energy: -0.150 local terms energy: -72.033917 where: bonds (distance) C4'-P energy: -19.705 bonds (distance) P-C4' energy: -14.234 flat angles C4'-P-C4' energy: -14.111 flat angles P-C4'-P energy: -10.834 tors. eta vs tors. theta energy: -13.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -199.902831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.902831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.902831 (E_RNA) where: Base-Base interactions energy: -135.459 where: short stacking energy: -67.633 Base-Backbone interact. energy: 0.836 local terms energy: -65.279692 where: bonds (distance) C4'-P energy: -15.747 bonds (distance) P-C4' energy: -12.844 flat angles C4'-P-C4' energy: -14.202 flat angles P-C4'-P energy: -9.954 tors. eta vs tors. theta energy: -12.534 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: 4 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -216.192600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.192600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.192600 (E_RNA) where: Base-Base interactions energy: -143.002 where: short stacking energy: -67.587 Base-Backbone interact. energy: -0.002 local terms energy: -73.188643 where: bonds (distance) C4'-P energy: -13.295 bonds (distance) P-C4' energy: -11.793 flat angles C4'-P-C4' energy: -16.848 flat angles P-C4'-P energy: -12.623 tors. eta vs tors. theta energy: -18.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -286.736277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.736277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.736277 (E_RNA) where: Base-Base interactions energy: -204.186 where: short stacking energy: -91.657 Base-Backbone interact. energy: 0.088 local terms energy: -82.638491 where: bonds (distance) C4'-P energy: -13.598 bonds (distance) P-C4' energy: -17.071 flat angles C4'-P-C4' energy: -17.917 flat angles P-C4'-P energy: -11.957 tors. eta vs tors. theta energy: -22.096 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: 2, replica: 7 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -290.091399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.091399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.091399 (E_RNA) where: Base-Base interactions energy: -210.832 where: short stacking energy: -93.329 Base-Backbone interact. energy: -0.250 local terms energy: -79.009131 where: bonds (distance) C4'-P energy: -15.745 bonds (distance) P-C4' energy: -14.799 flat angles C4'-P-C4' energy: -18.217 flat angles P-C4'-P energy: -7.578 tors. eta vs tors. theta energy: -22.671 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: 3, replica: 5 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -277.462515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.462515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.462515 (E_RNA) where: Base-Base interactions energy: -192.426 where: short stacking energy: -85.018 Base-Backbone interact. energy: -0.851 local terms energy: -84.185231 where: bonds (distance) C4'-P energy: -17.041 bonds (distance) P-C4' energy: -18.822 flat angles C4'-P-C4' energy: -18.041 flat angles P-C4'-P energy: -9.487 tors. eta vs tors. theta energy: -20.794 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: 4, replica: 3 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -275.276123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.276123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.276123 (E_RNA) where: Base-Base interactions energy: -191.903 where: short stacking energy: -80.288 Base-Backbone interact. energy: -1.511 local terms energy: -81.861923 where: bonds (distance) C4'-P energy: -14.646 bonds (distance) P-C4' energy: -17.583 flat angles C4'-P-C4' energy: -17.242 flat angles P-C4'-P energy: -9.726 tors. eta vs tors. theta energy: -22.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -245.404088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.404088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.404088 (E_RNA) where: Base-Base interactions energy: -168.622 where: short stacking energy: -73.320 Base-Backbone interact. energy: 0.016 local terms energy: -76.797647 where: bonds (distance) C4'-P energy: -16.960 bonds (distance) P-C4' energy: -13.736 flat angles C4'-P-C4' energy: -16.556 flat angles P-C4'-P energy: -9.670 tors. eta vs tors. theta energy: -19.876 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: 9 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -228.636787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.636787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.636787 (E_RNA) where: Base-Base interactions energy: -146.614 where: short stacking energy: -68.757 Base-Backbone interact. energy: -0.012 local terms energy: -82.010672 where: bonds (distance) C4'-P energy: -18.604 bonds (distance) P-C4' energy: -20.088 flat angles C4'-P-C4' energy: -17.898 flat angles P-C4'-P energy: -8.972 tors. eta vs tors. theta energy: -16.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -209.345006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.345006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.345006 (E_RNA) where: Base-Base interactions energy: -147.927 where: short stacking energy: -70.128 Base-Backbone interact. energy: -0.142 local terms energy: -61.276133 where: bonds (distance) C4'-P energy: -12.671 bonds (distance) P-C4' energy: -15.422 flat angles C4'-P-C4' energy: -14.943 flat angles P-C4'-P energy: -4.158 tors. eta vs tors. theta energy: -14.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -214.533444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.533444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.533444 (E_RNA) where: Base-Base interactions energy: -137.967 where: short stacking energy: -65.980 Base-Backbone interact. energy: 0.236 local terms energy: -76.802444 where: bonds (distance) C4'-P energy: -13.336 bonds (distance) P-C4' energy: -17.858 flat angles C4'-P-C4' energy: -15.151 flat angles P-C4'-P energy: -13.678 tors. eta vs tors. theta energy: -16.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -208.491623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.491623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.491623 (E_RNA) where: Base-Base interactions energy: -132.082 where: short stacking energy: -70.563 Base-Backbone interact. energy: -0.453 local terms energy: -75.956870 where: bonds (distance) C4'-P energy: -16.810 bonds (distance) P-C4' energy: -14.206 flat angles C4'-P-C4' energy: -15.621 flat angles P-C4'-P energy: -9.555 tors. eta vs tors. theta energy: -19.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -203.350285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.350285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.350285 (E_RNA) where: Base-Base interactions energy: -142.914 where: short stacking energy: -64.378 Base-Backbone interact. energy: -0.076 local terms energy: -60.359679 where: bonds (distance) C4'-P energy: -7.865 bonds (distance) P-C4' energy: -17.442 flat angles C4'-P-C4' energy: -16.295 flat angles P-C4'-P energy: -7.600 tors. eta vs tors. theta energy: -11.159 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: 7 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -288.310790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.310790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.310790 (E_RNA) where: Base-Base interactions energy: -207.463 where: short stacking energy: -85.454 Base-Backbone interact. energy: -1.537 local terms energy: -79.310872 where: bonds (distance) C4'-P energy: -19.067 bonds (distance) P-C4' energy: -11.172 flat angles C4'-P-C4' energy: -20.820 flat angles P-C4'-P energy: -8.785 tors. eta vs tors. theta energy: -19.467 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: 2, replica: 1 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -286.117249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.117249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.117249 (E_RNA) where: Base-Base interactions energy: -195.444 where: short stacking energy: -88.406 Base-Backbone interact. energy: -0.997 local terms energy: -89.676289 where: bonds (distance) C4'-P energy: -17.497 bonds (distance) P-C4' energy: -17.886 flat angles C4'-P-C4' energy: -19.281 flat angles P-C4'-P energy: -11.009 tors. eta vs tors. theta energy: -24.002 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: 3 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -269.683424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.683424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.683424 (E_RNA) where: Base-Base interactions energy: -190.288 where: short stacking energy: -88.728 Base-Backbone interact. energy: -0.894 local terms energy: -78.501185 where: bonds (distance) C4'-P energy: -14.168 bonds (distance) P-C4' energy: -16.527 flat angles C4'-P-C4' energy: -17.060 flat angles P-C4'-P energy: -10.426 tors. eta vs tors. theta energy: -20.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -270.483502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.483502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.483502 (E_RNA) where: Base-Base interactions energy: -194.365 where: short stacking energy: -84.218 Base-Backbone interact. energy: -1.683 local terms energy: -74.435070 where: bonds (distance) C4'-P energy: -15.544 bonds (distance) P-C4' energy: -12.942 flat angles C4'-P-C4' energy: -15.656 flat angles P-C4'-P energy: -9.552 tors. eta vs tors. theta energy: -20.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -263.627485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.627485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.627485 (E_RNA) where: Base-Base interactions energy: -194.593 where: short stacking energy: -83.336 Base-Backbone interact. energy: -0.380 local terms energy: -68.654197 where: bonds (distance) C4'-P energy: -19.588 bonds (distance) P-C4' energy: -16.644 flat angles C4'-P-C4' energy: -15.815 flat angles P-C4'-P energy: -2.343 tors. eta vs tors. theta energy: -14.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -230.593135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.593135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.593135 (E_RNA) where: Base-Base interactions energy: -160.005 where: short stacking energy: -78.770 Base-Backbone interact. energy: -0.325 local terms energy: -70.263054 where: bonds (distance) C4'-P energy: -14.389 bonds (distance) P-C4' energy: -13.058 flat angles C4'-P-C4' energy: -14.772 flat angles P-C4'-P energy: -9.393 tors. eta vs tors. theta energy: -18.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -215.656253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.656253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.656253 (E_RNA) where: Base-Base interactions energy: -143.658 where: short stacking energy: -69.349 Base-Backbone interact. energy: -0.437 local terms energy: -71.562114 where: bonds (distance) C4'-P energy: -15.382 bonds (distance) P-C4' energy: -18.589 flat angles C4'-P-C4' energy: -15.034 flat angles P-C4'-P energy: -10.468 tors. eta vs tors. theta energy: -12.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -224.525308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.525308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.525308 (E_RNA) where: Base-Base interactions energy: -153.054 where: short stacking energy: -64.183 Base-Backbone interact. energy: -0.829 local terms energy: -70.641936 where: bonds (distance) C4'-P energy: -14.351 bonds (distance) P-C4' energy: -16.998 flat angles C4'-P-C4' energy: -17.278 flat angles P-C4'-P energy: -6.197 tors. eta vs tors. theta energy: -15.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -203.605416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.605416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.605416 (E_RNA) where: Base-Base interactions energy: -141.191 where: short stacking energy: -62.212 Base-Backbone interact. energy: -0.486 local terms energy: -61.928089 where: bonds (distance) C4'-P energy: -13.375 bonds (distance) P-C4' energy: -14.462 flat angles C4'-P-C4' energy: -12.209 flat angles P-C4'-P energy: -8.478 tors. eta vs tors. theta energy: -13.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -214.412178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.412178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.412178 (E_RNA) where: Base-Base interactions energy: -154.823 where: short stacking energy: -67.082 Base-Backbone interact. energy: -0.041 local terms energy: -59.548333 where: bonds (distance) C4'-P energy: -9.101 bonds (distance) P-C4' energy: -11.847 flat angles C4'-P-C4' energy: -12.131 flat angles P-C4'-P energy: -10.559 tors. eta vs tors. theta energy: -15.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -299.503372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.503372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.503372 (E_RNA) where: Base-Base interactions energy: -210.243 where: short stacking energy: -90.063 Base-Backbone interact. energy: -1.421 local terms energy: -87.839394 where: bonds (distance) C4'-P energy: -17.900 bonds (distance) P-C4' energy: -15.605 flat angles C4'-P-C4' energy: -20.120 flat angles P-C4'-P energy: -11.032 tors. eta vs tors. theta energy: -23.183 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: 2, replica: 3 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -285.116893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.116893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.116893 (E_RNA) where: Base-Base interactions energy: -196.551 where: short stacking energy: -85.246 Base-Backbone interact. energy: -0.907 local terms energy: -87.659578 where: bonds (distance) C4'-P energy: -18.053 bonds (distance) P-C4' energy: -18.428 flat angles C4'-P-C4' energy: -18.000 flat angles P-C4'-P energy: -11.479 tors. eta vs tors. theta energy: -21.699 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: 3, replica: 1 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -284.397280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.397280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.397280 (E_RNA) where: Base-Base interactions energy: -204.405 where: short stacking energy: -91.641 Base-Backbone interact. energy: -0.472 local terms energy: -79.520369 where: bonds (distance) C4'-P energy: -14.690 bonds (distance) P-C4' energy: -18.132 flat angles C4'-P-C4' energy: -15.624 flat angles P-C4'-P energy: -10.839 tors. eta vs tors. theta energy: -20.236 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: 4, replica: 5 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -284.250240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.250240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.250240 (E_RNA) where: Base-Base interactions energy: -197.361 where: short stacking energy: -85.546 Base-Backbone interact. energy: -1.139 local terms energy: -85.750377 where: bonds (distance) C4'-P energy: -19.680 bonds (distance) P-C4' energy: -19.989 flat angles C4'-P-C4' energy: -17.991 flat angles P-C4'-P energy: -9.387 tors. eta vs tors. theta energy: -18.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -270.710577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.710577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.710577 (E_RNA) where: Base-Base interactions energy: -188.340 where: short stacking energy: -86.752 Base-Backbone interact. energy: -0.295 local terms energy: -82.075522 where: bonds (distance) C4'-P energy: -16.155 bonds (distance) P-C4' energy: -17.359 flat angles C4'-P-C4' energy: -19.416 flat angles P-C4'-P energy: -10.297 tors. eta vs tors. theta energy: -18.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -222.101071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.101071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.101071 (E_RNA) where: Base-Base interactions energy: -140.835 where: short stacking energy: -61.399 Base-Backbone interact. energy: -0.408 local terms energy: -80.858802 where: bonds (distance) C4'-P energy: -19.068 bonds (distance) P-C4' energy: -17.095 flat angles C4'-P-C4' energy: -16.781 flat angles P-C4'-P energy: -10.938 tors. eta vs tors. theta energy: -16.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -226.278668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.278668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.278668 (E_RNA) where: Base-Base interactions energy: -159.027 where: short stacking energy: -80.561 Base-Backbone interact. energy: -0.003 local terms energy: -67.248027 where: bonds (distance) C4'-P energy: -14.247 bonds (distance) P-C4' energy: -8.039 flat angles C4'-P-C4' energy: -15.926 flat angles P-C4'-P energy: -8.068 tors. eta vs tors. theta energy: -20.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -204.116604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.116604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.116604 (E_RNA) where: Base-Base interactions energy: -136.723 where: short stacking energy: -61.878 Base-Backbone interact. energy: -1.181 local terms energy: -66.212167 where: bonds (distance) C4'-P energy: -14.931 bonds (distance) P-C4' energy: -17.715 flat angles C4'-P-C4' energy: -14.192 flat angles P-C4'-P energy: -6.240 tors. eta vs tors. theta energy: -13.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -198.578075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.578075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.578075 (E_RNA) where: Base-Base interactions energy: -134.624 where: short stacking energy: -65.852 Base-Backbone interact. energy: -0.180 local terms energy: -63.773632 where: bonds (distance) C4'-P energy: -12.697 bonds (distance) P-C4' energy: -17.305 flat angles C4'-P-C4' energy: -12.113 flat angles P-C4'-P energy: -8.400 tors. eta vs tors. theta energy: -13.259 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: 4 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -221.808941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.808941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.808941 (E_RNA) where: Base-Base interactions energy: -158.905 where: short stacking energy: -61.248 Base-Backbone interact. energy: -0.513 local terms energy: -62.390969 where: bonds (distance) C4'-P energy: -10.730 bonds (distance) P-C4' energy: -14.083 flat angles C4'-P-C4' energy: -13.639 flat angles P-C4'-P energy: -8.243 tors. eta vs tors. theta energy: -15.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -290.857648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.857648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.857648 (E_RNA) where: Base-Base interactions energy: -204.020 where: short stacking energy: -85.965 Base-Backbone interact. energy: -0.871 local terms energy: -85.966635 where: bonds (distance) C4'-P energy: -15.397 bonds (distance) P-C4' energy: -20.566 flat angles C4'-P-C4' energy: -17.105 flat angles P-C4'-P energy: -9.582 tors. eta vs tors. theta energy: -23.316 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: 302 Temperature: 0.950000 Total energy: -277.783065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.783065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.783065 (E_RNA) where: Base-Base interactions energy: -195.109 where: short stacking energy: -80.780 Base-Backbone interact. energy: -2.505 local terms energy: -80.169057 where: bonds (distance) C4'-P energy: -16.857 bonds (distance) P-C4' energy: -15.742 flat angles C4'-P-C4' energy: -18.133 flat angles P-C4'-P energy: -8.888 tors. eta vs tors. theta energy: -20.550 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: 302 Temperature: 1.000000 Total energy: -269.980664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.980664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.980664 (E_RNA) where: Base-Base interactions energy: -196.455 where: short stacking energy: -86.830 Base-Backbone interact. energy: -1.216 local terms energy: -72.310082 where: bonds (distance) C4'-P energy: -9.722 bonds (distance) P-C4' energy: -17.867 flat angles C4'-P-C4' energy: -14.956 flat angles P-C4'-P energy: -10.660 tors. eta vs tors. theta energy: -19.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -265.435592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.435592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.435592 (E_RNA) where: Base-Base interactions energy: -190.297 where: short stacking energy: -79.810 Base-Backbone interact. energy: -0.037 local terms energy: -75.101587 where: bonds (distance) C4'-P energy: -15.390 bonds (distance) P-C4' energy: -13.117 flat angles C4'-P-C4' energy: -19.371 flat angles P-C4'-P energy: -7.611 tors. eta vs tors. theta energy: -19.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -228.721723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.721723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.721723 (E_RNA) where: Base-Base interactions energy: -153.670 where: short stacking energy: -77.083 Base-Backbone interact. energy: -0.206 local terms energy: -74.845781 where: bonds (distance) C4'-P energy: -10.522 bonds (distance) P-C4' energy: -18.323 flat angles C4'-P-C4' energy: -19.253 flat angles P-C4'-P energy: -7.936 tors. eta vs tors. theta energy: -18.812 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: 6 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -250.225805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.225805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.225805 (E_RNA) where: Base-Base interactions energy: -171.642 where: short stacking energy: -71.866 Base-Backbone interact. energy: -0.417 local terms energy: -78.167279 where: bonds (distance) C4'-P energy: -12.550 bonds (distance) P-C4' energy: -16.494 flat angles C4'-P-C4' energy: -18.702 flat angles P-C4'-P energy: -10.396 tors. eta vs tors. theta energy: -20.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -221.209494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.209494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.209494 (E_RNA) where: Base-Base interactions energy: -144.321 where: short stacking energy: -74.893 Base-Backbone interact. energy: -0.459 local terms energy: -76.429415 where: bonds (distance) C4'-P energy: -15.063 bonds (distance) P-C4' energy: -16.232 flat angles C4'-P-C4' energy: -18.393 flat angles P-C4'-P energy: -8.515 tors. eta vs tors. theta energy: -18.227 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: 8, replica: 8 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -227.734835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.734835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.734835 (E_RNA) where: Base-Base interactions energy: -153.314 where: short stacking energy: -73.518 Base-Backbone interact. energy: -0.601 local terms energy: -73.819526 where: bonds (distance) C4'-P energy: -14.505 bonds (distance) P-C4' energy: -16.346 flat angles C4'-P-C4' energy: -10.988 flat angles P-C4'-P energy: -10.499 tors. eta vs tors. theta energy: -21.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -203.153969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.153969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.153969 (E_RNA) where: Base-Base interactions energy: -139.948 where: short stacking energy: -57.728 Base-Backbone interact. energy: 2.201 local terms energy: -65.406382 where: bonds (distance) C4'-P energy: -15.203 bonds (distance) P-C4' energy: -15.876 flat angles C4'-P-C4' energy: -16.197 flat angles P-C4'-P energy: -5.256 tors. eta vs tors. theta energy: -12.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -197.250800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.250800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.250800 (E_RNA) where: Base-Base interactions energy: -132.972 where: short stacking energy: -58.342 Base-Backbone interact. energy: -0.002 local terms energy: -64.276581 where: bonds (distance) C4'-P energy: -15.971 bonds (distance) P-C4' energy: -15.429 flat angles C4'-P-C4' energy: -13.611 flat angles P-C4'-P energy: -8.999 tors. eta vs tors. theta energy: -10.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -291.364538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.364538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.364538 (E_RNA) where: Base-Base interactions energy: -201.250 where: short stacking energy: -85.450 Base-Backbone interact. energy: -2.419 local terms energy: -87.695804 where: bonds (distance) C4'-P energy: -18.425 bonds (distance) P-C4' energy: -17.998 flat angles C4'-P-C4' energy: -16.584 flat angles P-C4'-P energy: -12.379 tors. eta vs tors. theta energy: -22.308 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: 2, replica: 1 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -265.814156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.814156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.814156 (E_RNA) where: Base-Base interactions energy: -184.648 where: short stacking energy: -83.246 Base-Backbone interact. energy: 0.169 local terms energy: -81.335217 where: bonds (distance) C4'-P energy: -14.479 bonds (distance) P-C4' energy: -17.980 flat angles C4'-P-C4' energy: -20.178 flat angles P-C4'-P energy: -10.768 tors. eta vs tors. theta energy: -17.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -275.592571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.592571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.592571 (E_RNA) where: Base-Base interactions energy: -191.544 where: short stacking energy: -82.399 Base-Backbone interact. energy: -0.299 local terms energy: -83.748789 where: bonds (distance) C4'-P energy: -15.953 bonds (distance) P-C4' energy: -17.398 flat angles C4'-P-C4' energy: -19.433 flat angles P-C4'-P energy: -12.610 tors. eta vs tors. theta energy: -18.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -279.052005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.052005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.052005 (E_RNA) where: Base-Base interactions energy: -196.999 where: short stacking energy: -88.548 Base-Backbone interact. energy: -1.691 local terms energy: -80.362228 where: bonds (distance) C4'-P energy: -16.921 bonds (distance) P-C4' energy: -13.910 flat angles C4'-P-C4' energy: -16.132 flat angles P-C4'-P energy: -10.269 tors. eta vs tors. theta energy: -23.130 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: 2 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -236.801379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.801379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.801379 (E_RNA) where: Base-Base interactions energy: -159.965 where: short stacking energy: -77.859 Base-Backbone interact. energy: -0.415 local terms energy: -76.420769 where: bonds (distance) C4'-P energy: -12.886 bonds (distance) P-C4' energy: -16.771 flat angles C4'-P-C4' energy: -17.419 flat angles P-C4'-P energy: -9.612 tors. eta vs tors. theta energy: -19.734 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: 9 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -235.494343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.494343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.494343 (E_RNA) where: Base-Base interactions energy: -158.763 where: short stacking energy: -77.194 Base-Backbone interact. energy: -0.005 local terms energy: -76.726469 where: bonds (distance) C4'-P energy: -16.898 bonds (distance) P-C4' energy: -12.704 flat angles C4'-P-C4' energy: -15.790 flat angles P-C4'-P energy: -11.289 tors. eta vs tors. theta energy: -20.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -246.184140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.184140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.184140 (E_RNA) where: Base-Base interactions energy: -170.413 where: short stacking energy: -71.823 Base-Backbone interact. energy: -1.236 local terms energy: -74.535192 where: bonds (distance) C4'-P energy: -12.657 bonds (distance) P-C4' energy: -20.541 flat angles C4'-P-C4' energy: -12.418 flat angles P-C4'-P energy: -10.773 tors. eta vs tors. theta energy: -18.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -213.179196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.179196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.179196 (E_RNA) where: Base-Base interactions energy: -148.266 where: short stacking energy: -65.981 Base-Backbone interact. energy: -0.006 local terms energy: -64.906718 where: bonds (distance) C4'-P energy: -15.925 bonds (distance) P-C4' energy: -16.794 flat angles C4'-P-C4' energy: -15.676 flat angles P-C4'-P energy: -2.541 tors. eta vs tors. theta energy: -13.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -180.644910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.644910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.644910 (E_RNA) where: Base-Base interactions energy: -115.613 where: short stacking energy: -51.346 Base-Backbone interact. energy: -0.188 local terms energy: -64.843637 where: bonds (distance) C4'-P energy: -10.154 bonds (distance) P-C4' energy: -16.445 flat angles C4'-P-C4' energy: -11.807 flat angles P-C4'-P energy: -15.066 tors. eta vs tors. theta energy: -11.372 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: 10, replica: 10 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -197.745864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.745864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.745864 (E_RNA) where: Base-Base interactions energy: -125.320 where: short stacking energy: -53.689 Base-Backbone interact. energy: -0.279 local terms energy: -72.146838 where: bonds (distance) C4'-P energy: -13.070 bonds (distance) P-C4' energy: -16.946 flat angles C4'-P-C4' energy: -18.154 flat angles P-C4'-P energy: -11.536 tors. eta vs tors. theta energy: -12.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -289.599762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.599762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.599762 (E_RNA) where: Base-Base interactions energy: -200.743 where: short stacking energy: -85.859 Base-Backbone interact. energy: -0.763 local terms energy: -88.094392 where: bonds (distance) C4'-P energy: -18.331 bonds (distance) P-C4' energy: -15.977 flat angles C4'-P-C4' energy: -16.570 flat angles P-C4'-P energy: -12.490 tors. eta vs tors. theta energy: -24.727 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: 2, replica: 1 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -277.672439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.672439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.672439 (E_RNA) where: Base-Base interactions energy: -198.776 where: short stacking energy: -89.604 Base-Backbone interact. energy: -0.404 local terms energy: -78.492893 where: bonds (distance) C4'-P energy: -11.484 bonds (distance) P-C4' energy: -15.556 flat angles C4'-P-C4' energy: -19.456 flat angles P-C4'-P energy: -12.134 tors. eta vs tors. theta energy: -19.862 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: 5 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -268.636655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.636655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.636655 (E_RNA) where: Base-Base interactions energy: -192.230 where: short stacking energy: -78.117 Base-Backbone interact. energy: -1.099 local terms energy: -75.307398 where: bonds (distance) C4'-P energy: -15.849 bonds (distance) P-C4' energy: -14.961 flat angles C4'-P-C4' energy: -18.255 flat angles P-C4'-P energy: -10.060 tors. eta vs tors. theta energy: -16.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -277.492918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.492918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.492918 (E_RNA) where: Base-Base interactions energy: -199.849 where: short stacking energy: -83.561 Base-Backbone interact. energy: -1.933 local terms energy: -75.710797 where: bonds (distance) C4'-P energy: -12.679 bonds (distance) P-C4' energy: -12.579 flat angles C4'-P-C4' energy: -16.961 flat angles P-C4'-P energy: -10.424 tors. eta vs tors. theta energy: -23.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -227.581679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.581679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.581679 (E_RNA) where: Base-Base interactions energy: -149.580 where: short stacking energy: -70.796 Base-Backbone interact. energy: -0.414 local terms energy: -77.588229 where: bonds (distance) C4'-P energy: -18.019 bonds (distance) P-C4' energy: -18.353 flat angles C4'-P-C4' energy: -18.338 flat angles P-C4'-P energy: -7.707 tors. eta vs tors. theta energy: -15.171 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: 2 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -236.482708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.482708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.482708 (E_RNA) where: Base-Base interactions energy: -159.696 where: short stacking energy: -76.684 Base-Backbone interact. energy: -0.310 local terms energy: -76.476748 where: bonds (distance) C4'-P energy: -16.619 bonds (distance) P-C4' energy: -15.669 flat angles C4'-P-C4' energy: -17.567 flat angles P-C4'-P energy: -9.820 tors. eta vs tors. theta energy: -16.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -242.842277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.842277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.842277 (E_RNA) where: Base-Base interactions energy: -167.389 where: short stacking energy: -75.203 Base-Backbone interact. energy: -1.192 local terms energy: -74.260848 where: bonds (distance) C4'-P energy: -12.798 bonds (distance) P-C4' energy: -17.640 flat angles C4'-P-C4' energy: -18.071 flat angles P-C4'-P energy: -6.541 tors. eta vs tors. theta energy: -19.210 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: 8 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -195.725542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.725542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.725542 (E_RNA) where: Base-Base interactions energy: -131.364 where: short stacking energy: -59.232 Base-Backbone interact. energy: -0.126 local terms energy: -64.235363 where: bonds (distance) C4'-P energy: -12.932 bonds (distance) P-C4' energy: -12.568 flat angles C4'-P-C4' energy: -18.496 flat angles P-C4'-P energy: -8.612 tors. eta vs tors. theta energy: -11.627 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: 10 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -213.413868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.413868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.413868 (E_RNA) where: Base-Base interactions energy: -148.071 where: short stacking energy: -67.458 Base-Backbone interact. energy: -0.474 local terms energy: -64.868950 where: bonds (distance) C4'-P energy: -11.760 bonds (distance) P-C4' energy: -16.812 flat angles C4'-P-C4' energy: -13.304 flat angles P-C4'-P energy: -7.548 tors. eta vs tors. theta energy: -15.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -197.191737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.191737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.191737 (E_RNA) where: Base-Base interactions energy: -131.222 where: short stacking energy: -58.257 Base-Backbone interact. energy: -0.040 local terms energy: -65.929320 where: bonds (distance) C4'-P energy: -13.932 bonds (distance) P-C4' energy: -12.973 flat angles C4'-P-C4' energy: -16.396 flat angles P-C4'-P energy: -13.516 tors. eta vs tors. theta energy: -9.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -300.133358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.133358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.133358 (E_RNA) where: Base-Base interactions energy: -214.053 where: short stacking energy: -100.233 Base-Backbone interact. energy: -0.265 local terms energy: -85.815530 where: bonds (distance) C4'-P energy: -16.301 bonds (distance) P-C4' energy: -15.768 flat angles C4'-P-C4' energy: -19.851 flat angles P-C4'-P energy: -9.165 tors. eta vs tors. theta energy: -24.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -288.574551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.574551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.574551 (E_RNA) where: Base-Base interactions energy: -205.027 where: short stacking energy: -88.877 Base-Backbone interact. energy: -0.646 local terms energy: -82.901015 where: bonds (distance) C4'-P energy: -16.471 bonds (distance) P-C4' energy: -19.156 flat angles C4'-P-C4' energy: -15.560 flat angles P-C4'-P energy: -11.576 tors. eta vs tors. theta energy: -20.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -279.564773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.564773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.564773 (E_RNA) where: Base-Base interactions energy: -194.609 where: short stacking energy: -85.885 Base-Backbone interact. energy: -0.710 local terms energy: -84.245559 where: bonds (distance) C4'-P energy: -14.814 bonds (distance) P-C4' energy: -15.646 flat angles C4'-P-C4' energy: -17.157 flat angles P-C4'-P energy: -10.840 tors. eta vs tors. theta energy: -25.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -274.104325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.104325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.104325 (E_RNA) where: Base-Base interactions energy: -194.482 where: short stacking energy: -83.170 Base-Backbone interact. energy: 0.204 local terms energy: -79.826712 where: bonds (distance) C4'-P energy: -15.146 bonds (distance) P-C4' energy: -18.657 flat angles C4'-P-C4' energy: -14.091 flat angles P-C4'-P energy: -9.533 tors. eta vs tors. theta energy: -22.400 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: 9 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -227.485907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.485907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.485907 (E_RNA) where: Base-Base interactions energy: -153.517 where: short stacking energy: -79.067 Base-Backbone interact. energy: -0.346 local terms energy: -73.623218 where: bonds (distance) C4'-P energy: -12.966 bonds (distance) P-C4' energy: -17.361 flat angles C4'-P-C4' energy: -15.946 flat angles P-C4'-P energy: -12.381 tors. eta vs tors. theta energy: -14.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -254.264133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.264133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.264133 (E_RNA) where: Base-Base interactions energy: -189.479 where: short stacking energy: -89.249 Base-Backbone interact. energy: 0.011 local terms energy: -64.795790 where: bonds (distance) C4'-P energy: -9.699 bonds (distance) P-C4' energy: -13.264 flat angles C4'-P-C4' energy: -17.429 flat angles P-C4'-P energy: -6.855 tors. eta vs tors. theta energy: -17.549 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: 2 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -214.117835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.117835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.117835 (E_RNA) where: Base-Base interactions energy: -145.469 where: short stacking energy: -66.989 Base-Backbone interact. energy: -0.209 local terms energy: -68.440198 where: bonds (distance) C4'-P energy: -13.848 bonds (distance) P-C4' energy: -11.468 flat angles C4'-P-C4' energy: -15.514 flat angles P-C4'-P energy: -13.602 tors. eta vs tors. theta energy: -14.009 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: 10 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -212.424544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.424544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.424544 (E_RNA) where: Base-Base interactions energy: -141.207 where: short stacking energy: -66.570 Base-Backbone interact. energy: -0.449 local terms energy: -70.768246 where: bonds (distance) C4'-P energy: -14.533 bonds (distance) P-C4' energy: -19.785 flat angles C4'-P-C4' energy: -15.117 flat angles P-C4'-P energy: -9.426 tors. eta vs tors. theta energy: -11.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -215.332837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.332837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.332837 (E_RNA) where: Base-Base interactions energy: -149.264 where: short stacking energy: -64.158 Base-Backbone interact. energy: -0.261 local terms energy: -65.808608 where: bonds (distance) C4'-P energy: -18.649 bonds (distance) P-C4' energy: -13.487 flat angles C4'-P-C4' energy: -15.085 flat angles P-C4'-P energy: -5.131 tors. eta vs tors. theta energy: -13.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -195.756637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.756637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.756637 (E_RNA) where: Base-Base interactions energy: -133.457 where: short stacking energy: -61.097 Base-Backbone interact. energy: 2.030 local terms energy: -64.329470 where: bonds (distance) C4'-P energy: -16.659 bonds (distance) P-C4' energy: -15.837 flat angles C4'-P-C4' energy: -12.718 flat angles P-C4'-P energy: -5.354 tors. eta vs tors. theta energy: -13.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -290.145540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.145540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.145540 (E_RNA) where: Base-Base interactions energy: -201.221 where: short stacking energy: -84.606 Base-Backbone interact. energy: -1.255 local terms energy: -87.669507 where: bonds (distance) C4'-P energy: -18.615 bonds (distance) P-C4' energy: -18.092 flat angles C4'-P-C4' energy: -17.621 flat angles P-C4'-P energy: -10.793 tors. eta vs tors. theta energy: -22.549 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: 2, replica: 7 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -292.409624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.409624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.409624 (E_RNA) where: Base-Base interactions energy: -205.788 where: short stacking energy: -91.694 Base-Backbone interact. energy: -1.106 local terms energy: -85.515681 where: bonds (distance) C4'-P energy: -16.429 bonds (distance) P-C4' energy: -19.460 flat angles C4'-P-C4' energy: -18.666 flat angles P-C4'-P energy: -10.781 tors. eta vs tors. theta energy: -20.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -267.114258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.114258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.114258 (E_RNA) where: Base-Base interactions energy: -185.858 where: short stacking energy: -75.480 Base-Backbone interact. energy: 0.044 local terms energy: -81.300143 where: bonds (distance) C4'-P energy: -16.226 bonds (distance) P-C4' energy: -19.221 flat angles C4'-P-C4' energy: -17.331 flat angles P-C4'-P energy: -13.324 tors. eta vs tors. theta energy: -15.198 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: 4, replica: 1 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -265.075539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.075539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.075539 (E_RNA) where: Base-Base interactions energy: -186.726 where: short stacking energy: -82.904 Base-Backbone interact. energy: -0.293 local terms energy: -78.057313 where: bonds (distance) C4'-P energy: -12.286 bonds (distance) P-C4' energy: -17.407 flat angles C4'-P-C4' energy: -17.252 flat angles P-C4'-P energy: -10.888 tors. eta vs tors. theta energy: -20.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -229.543974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.543974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.543974 (E_RNA) where: Base-Base interactions energy: -158.050 where: short stacking energy: -82.056 Base-Backbone interact. energy: -0.094 local terms energy: -71.399651 where: bonds (distance) C4'-P energy: -14.323 bonds (distance) P-C4' energy: -16.426 flat angles C4'-P-C4' energy: -12.959 flat angles P-C4'-P energy: -9.820 tors. eta vs tors. theta energy: -17.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -235.610637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.610637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.610637 (E_RNA) where: Base-Base interactions energy: -158.161 where: short stacking energy: -80.957 Base-Backbone interact. energy: -0.004 local terms energy: -77.445657 where: bonds (distance) C4'-P energy: -10.999 bonds (distance) P-C4' energy: -16.868 flat angles C4'-P-C4' energy: -17.425 flat angles P-C4'-P energy: -13.283 tors. eta vs tors. theta energy: -18.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -221.111448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.111448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.111448 (E_RNA) where: Base-Base interactions energy: -144.297 where: short stacking energy: -66.137 Base-Backbone interact. energy: -0.053 local terms energy: -76.761977 where: bonds (distance) C4'-P energy: -16.057 bonds (distance) P-C4' energy: -15.080 flat angles C4'-P-C4' energy: -20.671 flat angles P-C4'-P energy: -8.046 tors. eta vs tors. theta energy: -16.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -226.497214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.497214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.497214 (E_RNA) where: Base-Base interactions energy: -155.568 where: short stacking energy: -55.551 Base-Backbone interact. energy: -0.412 local terms energy: -70.517181 where: bonds (distance) C4'-P energy: -14.716 bonds (distance) P-C4' energy: -15.837 flat angles C4'-P-C4' energy: -16.986 flat angles P-C4'-P energy: -4.364 tors. eta vs tors. theta energy: -18.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -204.112973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.112973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.112973 (E_RNA) where: Base-Base interactions energy: -133.245 where: short stacking energy: -64.581 Base-Backbone interact. energy: -0.499 local terms energy: -70.368842 where: bonds (distance) C4'-P energy: -17.912 bonds (distance) P-C4' energy: -12.309 flat angles C4'-P-C4' energy: -17.360 flat angles P-C4'-P energy: -8.443 tors. eta vs tors. theta energy: -14.345 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: 4 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -209.070246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.070246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.070246 (E_RNA) where: Base-Base interactions energy: -138.801 where: short stacking energy: -63.778 Base-Backbone interact. energy: -0.109 local terms energy: -70.160024 where: bonds (distance) C4'-P energy: -14.086 bonds (distance) P-C4' energy: -15.379 flat angles C4'-P-C4' energy: -17.603 flat angles P-C4'-P energy: -10.284 tors. eta vs tors. theta energy: -12.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -292.516369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.516369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.516369 (E_RNA) where: Base-Base interactions energy: -210.290 where: short stacking energy: -86.893 Base-Backbone interact. energy: -0.492 local terms energy: -81.734814 where: bonds (distance) C4'-P energy: -15.519 bonds (distance) P-C4' energy: -19.507 flat angles C4'-P-C4' energy: -17.669 flat angles P-C4'-P energy: -7.629 tors. eta vs tors. theta energy: -21.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -282.167462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.167462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.167462 (E_RNA) where: Base-Base interactions energy: -199.951 where: short stacking energy: -92.671 Base-Backbone interact. energy: -1.075 local terms energy: -81.141706 where: bonds (distance) C4'-P energy: -14.503 bonds (distance) P-C4' energy: -16.988 flat angles C4'-P-C4' energy: -18.635 flat angles P-C4'-P energy: -9.471 tors. eta vs tors. theta energy: -21.544 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: 3 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -268.211497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.211497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.211497 (E_RNA) where: Base-Base interactions energy: -184.434 where: short stacking energy: -80.217 Base-Backbone interact. energy: -1.424 local terms energy: -82.354188 where: bonds (distance) C4'-P energy: -16.330 bonds (distance) P-C4' energy: -16.958 flat angles C4'-P-C4' energy: -16.077 flat angles P-C4'-P energy: -15.338 tors. eta vs tors. theta energy: -17.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -266.817488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.817488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.817488 (E_RNA) where: Base-Base interactions energy: -193.049 where: short stacking energy: -89.973 Base-Backbone interact. energy: -0.283 local terms energy: -73.485778 where: bonds (distance) C4'-P energy: -14.935 bonds (distance) P-C4' energy: -13.411 flat angles C4'-P-C4' energy: -16.469 flat angles P-C4'-P energy: -6.551 tors. eta vs tors. theta energy: -22.120 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: 6 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -230.068918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.068918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.068918 (E_RNA) where: Base-Base interactions energy: -156.525 where: short stacking energy: -74.750 Base-Backbone interact. energy: -0.052 local terms energy: -73.491340 where: bonds (distance) C4'-P energy: -16.072 bonds (distance) P-C4' energy: -12.760 flat angles C4'-P-C4' energy: -16.838 flat angles P-C4'-P energy: -8.313 tors. eta vs tors. theta energy: -19.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -227.963784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.963784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.963784 (E_RNA) where: Base-Base interactions energy: -158.159 where: short stacking energy: -70.545 Base-Backbone interact. energy: -0.429 local terms energy: -69.376162 where: bonds (distance) C4'-P energy: -19.352 bonds (distance) P-C4' energy: -12.611 flat angles C4'-P-C4' energy: -15.206 flat angles P-C4'-P energy: -4.891 tors. eta vs tors. theta energy: -17.316 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: 7, replica: 9 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -213.192588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.192588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.192588 (E_RNA) where: Base-Base interactions energy: -136.904 where: short stacking energy: -60.661 Base-Backbone interact. energy: -0.038 local terms energy: -76.250932 where: bonds (distance) C4'-P energy: -14.678 bonds (distance) P-C4' energy: -16.909 flat angles C4'-P-C4' energy: -17.374 flat angles P-C4'-P energy: -15.558 tors. eta vs tors. theta energy: -11.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -214.797822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.797822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.797822 (E_RNA) where: Base-Base interactions energy: -157.689 where: short stacking energy: -75.034 Base-Backbone interact. energy: -0.219 local terms energy: -56.890017 where: bonds (distance) C4'-P energy: -12.939 bonds (distance) P-C4' energy: -14.029 flat angles C4'-P-C4' energy: -7.245 flat angles P-C4'-P energy: -9.075 tors. eta vs tors. theta energy: -13.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -212.819467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.819467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.819467 (E_RNA) where: Base-Base interactions energy: -140.232 where: short stacking energy: -69.206 Base-Backbone interact. energy: -0.014 local terms energy: -72.573544 where: bonds (distance) C4'-P energy: -15.933 bonds (distance) P-C4' energy: -16.853 flat angles C4'-P-C4' energy: -20.523 flat angles P-C4'-P energy: -4.534 tors. eta vs tors. theta energy: -14.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -199.002548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.002548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.002548 (E_RNA) where: Base-Base interactions energy: -143.164 where: short stacking energy: -64.403 Base-Backbone interact. energy: -0.166 local terms energy: -55.672860 where: bonds (distance) C4'-P energy: -8.013 bonds (distance) P-C4' energy: -18.067 flat angles C4'-P-C4' energy: -14.528 flat angles P-C4'-P energy: -0.044 tors. eta vs tors. theta energy: -15.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -295.846597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.846597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.846597 (E_RNA) where: Base-Base interactions energy: -214.544 where: short stacking energy: -87.310 Base-Backbone interact. energy: -1.648 local terms energy: -79.654304 where: bonds (distance) C4'-P energy: -13.561 bonds (distance) P-C4' energy: -19.787 flat angles C4'-P-C4' energy: -15.968 flat angles P-C4'-P energy: -8.173 tors. eta vs tors. theta energy: -22.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -278.393645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.393645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.393645 (E_RNA) where: Base-Base interactions energy: -190.600 where: short stacking energy: -78.821 Base-Backbone interact. energy: -1.760 local terms energy: -86.034084 where: bonds (distance) C4'-P energy: -14.503 bonds (distance) P-C4' energy: -20.197 flat angles C4'-P-C4' energy: -18.556 flat angles P-C4'-P energy: -13.352 tors. eta vs tors. theta energy: -19.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -269.058102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.058102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.058102 (E_RNA) where: Base-Base interactions energy: -186.941 where: short stacking energy: -81.406 Base-Backbone interact. energy: -0.400 local terms energy: -81.716369 where: bonds (distance) C4'-P energy: -19.617 bonds (distance) P-C4' energy: -14.951 flat angles C4'-P-C4' energy: -16.175 flat angles P-C4'-P energy: -12.876 tors. eta vs tors. theta energy: -18.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -272.242154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.242154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.242154 (E_RNA) where: Base-Base interactions energy: -191.209 where: short stacking energy: -92.687 Base-Backbone interact. energy: -0.046 local terms energy: -80.987506 where: bonds (distance) C4'-P energy: -17.132 bonds (distance) P-C4' energy: -20.141 flat angles C4'-P-C4' energy: -16.907 flat angles P-C4'-P energy: -5.908 tors. eta vs tors. theta energy: -20.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -247.082224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.082224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.082224 (E_RNA) where: Base-Base interactions energy: -162.514 where: short stacking energy: -82.317 Base-Backbone interact. energy: 1.010 local terms energy: -85.578305 where: bonds (distance) C4'-P energy: -14.951 bonds (distance) P-C4' energy: -16.063 flat angles C4'-P-C4' energy: -18.109 flat angles P-C4'-P energy: -13.955 tors. eta vs tors. theta energy: -22.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -234.488871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.488871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.488871 (E_RNA) where: Base-Base interactions energy: -161.213 where: short stacking energy: -74.832 Base-Backbone interact. energy: -0.788 local terms energy: -72.487918 where: bonds (distance) C4'-P energy: -15.249 bonds (distance) P-C4' energy: -11.742 flat angles C4'-P-C4' energy: -18.267 flat angles P-C4'-P energy: -11.323 tors. eta vs tors. theta energy: -15.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -227.797450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.797450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.797450 (E_RNA) where: Base-Base interactions energy: -154.286 where: short stacking energy: -71.415 Base-Backbone interact. energy: -0.012 local terms energy: -73.499299 where: bonds (distance) C4'-P energy: -16.795 bonds (distance) P-C4' energy: -15.830 flat angles C4'-P-C4' energy: -17.903 flat angles P-C4'-P energy: -5.846 tors. eta vs tors. theta energy: -17.126 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: 8, replica: 9 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -215.760367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.760367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.760367 (E_RNA) where: Base-Base interactions energy: -150.215 where: short stacking energy: -68.485 Base-Backbone interact. energy: -0.370 local terms energy: -65.176068 where: bonds (distance) C4'-P energy: -12.748 bonds (distance) P-C4' energy: -14.733 flat angles C4'-P-C4' energy: -14.507 flat angles P-C4'-P energy: -7.767 tors. eta vs tors. theta energy: -15.421 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: 4 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -203.582208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.582208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.582208 (E_RNA) where: Base-Base interactions energy: -132.780 where: short stacking energy: -63.836 Base-Backbone interact. energy: -0.228 local terms energy: -70.573896 where: bonds (distance) C4'-P energy: -13.971 bonds (distance) P-C4' energy: -16.429 flat angles C4'-P-C4' energy: -18.404 flat angles P-C4'-P energy: -10.351 tors. eta vs tors. theta energy: -11.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -192.097376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.097376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.097376 (E_RNA) where: Base-Base interactions energy: -141.606 where: short stacking energy: -65.280 Base-Backbone interact. energy: -0.171 local terms energy: -50.319636 where: bonds (distance) C4'-P energy: -7.371 bonds (distance) P-C4' energy: -7.182 flat angles C4'-P-C4' energy: -13.941 flat angles P-C4'-P energy: -8.317 tors. eta vs tors. theta energy: -13.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -290.380707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.380707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.380707 (E_RNA) where: Base-Base interactions energy: -201.690 where: short stacking energy: -93.015 Base-Backbone interact. energy: -0.846 local terms energy: -87.844982 where: bonds (distance) C4'-P energy: -16.707 bonds (distance) P-C4' energy: -17.014 flat angles C4'-P-C4' energy: -18.990 flat angles P-C4'-P energy: -13.144 tors. eta vs tors. theta energy: -21.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -279.236523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.236523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.236523 (E_RNA) where: Base-Base interactions energy: -195.845 where: short stacking energy: -89.150 Base-Backbone interact. energy: -0.978 local terms energy: -82.414028 where: bonds (distance) C4'-P energy: -17.944 bonds (distance) P-C4' energy: -15.540 flat angles C4'-P-C4' energy: -16.986 flat angles P-C4'-P energy: -10.437 tors. eta vs tors. theta energy: -21.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -279.596780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.596780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.596780 (E_RNA) where: Base-Base interactions energy: -197.381 where: short stacking energy: -86.263 Base-Backbone interact. energy: -0.532 local terms energy: -81.683025 where: bonds (distance) C4'-P energy: -18.445 bonds (distance) P-C4' energy: -16.914 flat angles C4'-P-C4' energy: -16.053 flat angles P-C4'-P energy: -9.109 tors. eta vs tors. theta energy: -21.162 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: 10 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -235.748727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.748727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.748727 (E_RNA) where: Base-Base interactions energy: -157.929 where: short stacking energy: -73.982 Base-Backbone interact. energy: -0.298 local terms energy: -77.522140 where: bonds (distance) C4'-P energy: -14.769 bonds (distance) P-C4' energy: -17.541 flat angles C4'-P-C4' energy: -16.406 flat angles P-C4'-P energy: -13.123 tors. eta vs tors. theta energy: -15.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -248.921374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.921374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.921374 (E_RNA) where: Base-Base interactions energy: -174.758 where: short stacking energy: -60.029 Base-Backbone interact. energy: 0.266 local terms energy: -74.429505 where: bonds (distance) C4'-P energy: -13.961 bonds (distance) P-C4' energy: -19.383 flat angles C4'-P-C4' energy: -15.525 flat angles P-C4'-P energy: -10.575 tors. eta vs tors. theta energy: -14.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -234.989347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.989347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.989347 (E_RNA) where: Base-Base interactions energy: -160.936 where: short stacking energy: -75.502 Base-Backbone interact. energy: -0.007 local terms energy: -74.046051 where: bonds (distance) C4'-P energy: -11.642 bonds (distance) P-C4' energy: -19.653 flat angles C4'-P-C4' energy: -15.167 flat angles P-C4'-P energy: -9.196 tors. eta vs tors. theta energy: -18.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -219.527395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.527395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.527395 (E_RNA) where: Base-Base interactions energy: -150.297 where: short stacking energy: -72.097 Base-Backbone interact. energy: -0.155 local terms energy: -69.075785 where: bonds (distance) C4'-P energy: -14.762 bonds (distance) P-C4' energy: -11.436 flat angles C4'-P-C4' energy: -14.931 flat angles P-C4'-P energy: -9.373 tors. eta vs tors. theta energy: -18.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -213.925382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.925382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.925382 (E_RNA) where: Base-Base interactions energy: -147.700 where: short stacking energy: -72.501 Base-Backbone interact. energy: -0.030 local terms energy: -66.194740 where: bonds (distance) C4'-P energy: -11.826 bonds (distance) P-C4' energy: -16.159 flat angles C4'-P-C4' energy: -14.844 flat angles P-C4'-P energy: -7.054 tors. eta vs tors. theta energy: -16.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -202.636942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.636942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.636942 (E_RNA) where: Base-Base interactions energy: -134.845 where: short stacking energy: -57.399 Base-Backbone interact. energy: -0.093 local terms energy: -67.698826 where: bonds (distance) C4'-P energy: -11.888 bonds (distance) P-C4' energy: -14.763 flat angles C4'-P-C4' energy: -15.255 flat angles P-C4'-P energy: -11.103 tors. eta vs tors. theta energy: -14.690 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: 2 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -197.473326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.473326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.473326 (E_RNA) where: Base-Base interactions energy: -140.868 where: short stacking energy: -62.191 Base-Backbone interact. energy: -0.201 local terms energy: -56.404229 where: bonds (distance) C4'-P energy: -10.456 bonds (distance) P-C4' energy: -19.246 flat angles C4'-P-C4' energy: -7.743 flat angles P-C4'-P energy: -3.398 tors. eta vs tors. theta energy: -15.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -289.380796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.380796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.380796 (E_RNA) where: Base-Base interactions energy: -202.441 where: short stacking energy: -87.073 Base-Backbone interact. energy: -1.886 local terms energy: -85.053811 where: bonds (distance) C4'-P energy: -14.045 bonds (distance) P-C4' energy: -19.091 flat angles C4'-P-C4' energy: -20.453 flat angles P-C4'-P energy: -10.413 tors. eta vs tors. theta energy: -21.052 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: 5 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -298.840862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.840862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.840862 (E_RNA) where: Base-Base interactions energy: -214.193 where: short stacking energy: -93.245 Base-Backbone interact. energy: -2.013 local terms energy: -82.634216 where: bonds (distance) C4'-P energy: -13.991 bonds (distance) P-C4' energy: -14.372 flat angles C4'-P-C4' energy: -18.841 flat angles P-C4'-P energy: -12.900 tors. eta vs tors. theta energy: -22.531 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: 3, replica: 7 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -273.430854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.430854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.430854 (E_RNA) where: Base-Base interactions energy: -197.053 where: short stacking energy: -84.558 Base-Backbone interact. energy: -0.672 local terms energy: -75.706805 where: bonds (distance) C4'-P energy: -15.675 bonds (distance) P-C4' energy: -17.788 flat angles C4'-P-C4' energy: -16.783 flat angles P-C4'-P energy: -8.932 tors. eta vs tors. theta energy: -16.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -229.178996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.178996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.178996 (E_RNA) where: Base-Base interactions energy: -158.877 where: short stacking energy: -78.894 Base-Backbone interact. energy: -0.016 local terms energy: -70.286446 where: bonds (distance) C4'-P energy: -12.576 bonds (distance) P-C4' energy: -15.608 flat angles C4'-P-C4' energy: -14.817 flat angles P-C4'-P energy: -9.402 tors. eta vs tors. theta energy: -17.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -238.777212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.777212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.777212 (E_RNA) where: Base-Base interactions energy: -165.691 where: short stacking energy: -66.681 Base-Backbone interact. energy: -1.070 local terms energy: -72.016158 where: bonds (distance) C4'-P energy: -16.037 bonds (distance) P-C4' energy: -16.157 flat angles C4'-P-C4' energy: -17.193 flat angles P-C4'-P energy: -9.213 tors. eta vs tors. theta energy: -13.417 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: 8 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -224.609990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.609990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.609990 (E_RNA) where: Base-Base interactions energy: -153.972 where: short stacking energy: -74.156 Base-Backbone interact. energy: -0.500 local terms energy: -70.137345 where: bonds (distance) C4'-P energy: -11.370 bonds (distance) P-C4' energy: -17.066 flat angles C4'-P-C4' energy: -16.652 flat angles P-C4'-P energy: -9.262 tors. eta vs tors. theta energy: -15.788 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: 9 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -216.043973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.043973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.043973 (E_RNA) where: Base-Base interactions energy: -144.002 where: short stacking energy: -64.864 Base-Backbone interact. energy: 1.006 local terms energy: -73.047821 where: bonds (distance) C4'-P energy: -18.757 bonds (distance) P-C4' energy: -13.465 flat angles C4'-P-C4' energy: -13.708 flat angles P-C4'-P energy: -15.296 tors. eta vs tors. theta energy: -11.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -202.560716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.560716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.560716 (E_RNA) where: Base-Base interactions energy: -131.205 where: short stacking energy: -60.413 Base-Backbone interact. energy: -0.120 local terms energy: -71.235801 where: bonds (distance) C4'-P energy: -18.731 bonds (distance) P-C4' energy: -17.286 flat angles C4'-P-C4' energy: -10.826 flat angles P-C4'-P energy: -12.097 tors. eta vs tors. theta energy: -12.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -210.577114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.577114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.577114 (E_RNA) where: Base-Base interactions energy: -143.718 where: short stacking energy: -65.213 Base-Backbone interact. energy: -0.250 local terms energy: -66.608688 where: bonds (distance) C4'-P energy: -13.834 bonds (distance) P-C4' energy: -9.851 flat angles C4'-P-C4' energy: -16.373 flat angles P-C4'-P energy: -9.920 tors. eta vs tors. theta energy: -16.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -200.616987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.616987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.616987 (E_RNA) where: Base-Base interactions energy: -135.582 where: short stacking energy: -55.395 Base-Backbone interact. energy: -0.527 local terms energy: -64.507914 where: bonds (distance) C4'-P energy: -16.046 bonds (distance) P-C4' energy: -15.213 flat angles C4'-P-C4' energy: -18.846 flat angles P-C4'-P energy: -3.508 tors. eta vs tors. theta energy: -10.895 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: 3 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -293.505262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.505262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.505262 (E_RNA) where: Base-Base interactions energy: -213.464 where: short stacking energy: -90.256 Base-Backbone interact. energy: -0.280 local terms energy: -79.761202 where: bonds (distance) C4'-P energy: -14.926 bonds (distance) P-C4' energy: -18.634 flat angles C4'-P-C4' energy: -17.634 flat angles P-C4'-P energy: -10.812 tors. eta vs tors. theta energy: -17.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -294.614454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.614454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.614454 (E_RNA) where: Base-Base interactions energy: -202.141 where: short stacking energy: -92.032 Base-Backbone interact. energy: -1.836 local terms energy: -90.638041 where: bonds (distance) C4'-P energy: -15.780 bonds (distance) P-C4' energy: -20.179 flat angles C4'-P-C4' energy: -19.024 flat angles P-C4'-P energy: -11.459 tors. eta vs tors. theta energy: -24.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -277.783713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.783713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.783713 (E_RNA) where: Base-Base interactions energy: -193.674 where: short stacking energy: -89.086 Base-Backbone interact. energy: -0.301 local terms energy: -83.808865 where: bonds (distance) C4'-P energy: -15.088 bonds (distance) P-C4' energy: -18.166 flat angles C4'-P-C4' energy: -16.998 flat angles P-C4'-P energy: -14.298 tors. eta vs tors. theta energy: -19.260 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: 4, replica: 1 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -258.644513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.644513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.644513 (E_RNA) where: Base-Base interactions energy: -178.781 where: short stacking energy: -74.312 Base-Backbone interact. energy: -0.522 local terms energy: -79.341388 where: bonds (distance) C4'-P energy: -18.244 bonds (distance) P-C4' energy: -17.267 flat angles C4'-P-C4' energy: -16.275 flat angles P-C4'-P energy: -10.908 tors. eta vs tors. theta energy: -16.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -230.119972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.119972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.119972 (E_RNA) where: Base-Base interactions energy: -151.306 where: short stacking energy: -76.481 Base-Backbone interact. energy: -0.459 local terms energy: -78.354768 where: bonds (distance) C4'-P energy: -15.506 bonds (distance) P-C4' energy: -14.378 flat angles C4'-P-C4' energy: -19.009 flat angles P-C4'-P energy: -11.882 tors. eta vs tors. theta energy: -17.580 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: 9 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -236.547610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.547610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.547610 (E_RNA) where: Base-Base interactions energy: -156.989 where: short stacking energy: -79.479 Base-Backbone interact. energy: -0.448 local terms energy: -79.110863 where: bonds (distance) C4'-P energy: -15.755 bonds (distance) P-C4' energy: -16.529 flat angles C4'-P-C4' energy: -17.196 flat angles P-C4'-P energy: -9.804 tors. eta vs tors. theta energy: -19.827 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: 7, replica: 8 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -218.090641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.090641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.090641 (E_RNA) where: Base-Base interactions energy: -148.659 where: short stacking energy: -72.315 Base-Backbone interact. energy: -0.168 local terms energy: -69.263528 where: bonds (distance) C4'-P energy: -14.788 bonds (distance) P-C4' energy: -16.147 flat angles C4'-P-C4' energy: -12.941 flat angles P-C4'-P energy: -6.770 tors. eta vs tors. theta energy: -18.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -211.967686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.967686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.967686 (E_RNA) where: Base-Base interactions energy: -143.211 where: short stacking energy: -65.352 Base-Backbone interact. energy: -0.016 local terms energy: -68.740799 where: bonds (distance) C4'-P energy: -12.053 bonds (distance) P-C4' energy: -16.190 flat angles C4'-P-C4' energy: -17.846 flat angles P-C4'-P energy: -10.004 tors. eta vs tors. theta energy: -12.647 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: 2 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -202.178174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.178174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.178174 (E_RNA) where: Base-Base interactions energy: -140.890 where: short stacking energy: -67.533 Base-Backbone interact. energy: 0.087 local terms energy: -61.374444 where: bonds (distance) C4'-P energy: -12.833 bonds (distance) P-C4' energy: -11.935 flat angles C4'-P-C4' energy: -12.153 flat angles P-C4'-P energy: -8.828 tors. eta vs tors. theta energy: -15.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -189.346435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.346435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.346435 (E_RNA) where: Base-Base interactions energy: -132.382 where: short stacking energy: -53.773 Base-Backbone interact. energy: -0.368 local terms energy: -56.596000 where: bonds (distance) C4'-P energy: -15.674 bonds (distance) P-C4' energy: -15.947 flat angles C4'-P-C4' energy: -12.930 flat angles P-C4'-P energy: -2.807 tors. eta vs tors. theta energy: -9.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -283.472816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.472816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.472816 (E_RNA) where: Base-Base interactions energy: -205.408 where: short stacking energy: -87.617 Base-Backbone interact. energy: -0.231 local terms energy: -77.834294 where: bonds (distance) C4'-P energy: -15.864 bonds (distance) P-C4' energy: -16.896 flat angles C4'-P-C4' energy: -15.356 flat angles P-C4'-P energy: -11.795 tors. eta vs tors. theta energy: -17.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -299.232288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.232288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.232288 (E_RNA) where: Base-Base interactions energy: -212.417 where: short stacking energy: -98.898 Base-Backbone interact. energy: -1.470 local terms energy: -85.345631 where: bonds (distance) C4'-P energy: -19.765 bonds (distance) P-C4' energy: -17.709 flat angles C4'-P-C4' energy: -17.018 flat angles P-C4'-P energy: -9.657 tors. eta vs tors. theta energy: -21.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -271.631708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.631708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.631708 (E_RNA) where: Base-Base interactions energy: -183.906 where: short stacking energy: -81.909 Base-Backbone interact. energy: -0.777 local terms energy: -86.949191 where: bonds (distance) C4'-P energy: -15.944 bonds (distance) P-C4' energy: -17.658 flat angles C4'-P-C4' energy: -18.090 flat angles P-C4'-P energy: -13.435 tors. eta vs tors. theta energy: -21.822 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: 7 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -276.284246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.284246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.284246 (E_RNA) where: Base-Base interactions energy: -194.954 where: short stacking energy: -83.233 Base-Backbone interact. energy: -0.028 local terms energy: -81.302291 where: bonds (distance) C4'-P energy: -17.890 bonds (distance) P-C4' energy: -16.874 flat angles C4'-P-C4' energy: -18.317 flat angles P-C4'-P energy: -11.790 tors. eta vs tors. theta energy: -16.431 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: 9 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -236.712574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.712574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.712574 (E_RNA) where: Base-Base interactions energy: -152.921 where: short stacking energy: -76.746 Base-Backbone interact. energy: -0.003 local terms energy: -83.788880 where: bonds (distance) C4'-P energy: -17.975 bonds (distance) P-C4' energy: -14.931 flat angles C4'-P-C4' energy: -14.842 flat angles P-C4'-P energy: -13.520 tors. eta vs tors. theta energy: -22.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -222.703761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.703761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.703761 (E_RNA) where: Base-Base interactions energy: -138.835 where: short stacking energy: -67.695 Base-Backbone interact. energy: -0.002 local terms energy: -83.866975 where: bonds (distance) C4'-P energy: -14.927 bonds (distance) P-C4' energy: -18.708 flat angles C4'-P-C4' energy: -12.662 flat angles P-C4'-P energy: -16.449 tors. eta vs tors. theta energy: -21.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -221.297321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.297321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.297321 (E_RNA) where: Base-Base interactions energy: -139.749 where: short stacking energy: -65.603 Base-Backbone interact. energy: -0.710 local terms energy: -80.838400 where: bonds (distance) C4'-P energy: -18.869 bonds (distance) P-C4' energy: -18.134 flat angles C4'-P-C4' energy: -15.385 flat angles P-C4'-P energy: -10.239 tors. eta vs tors. theta energy: -18.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -218.045670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.045670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.045670 (E_RNA) where: Base-Base interactions energy: -140.833 where: short stacking energy: -70.933 Base-Backbone interact. energy: 1.443 local terms energy: -78.655748 where: bonds (distance) C4'-P energy: -16.557 bonds (distance) P-C4' energy: -16.930 flat angles C4'-P-C4' energy: -18.455 flat angles P-C4'-P energy: -11.059 tors. eta vs tors. theta energy: -15.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -204.386496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.386496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.386496 (E_RNA) where: Base-Base interactions energy: -140.529 where: short stacking energy: -62.547 Base-Backbone interact. energy: -1.153 local terms energy: -62.704001 where: bonds (distance) C4'-P energy: -16.761 bonds (distance) P-C4' energy: -8.792 flat angles C4'-P-C4' energy: -13.226 flat angles P-C4'-P energy: -11.900 tors. eta vs tors. theta energy: -12.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -198.874190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.874190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.874190 (E_RNA) where: Base-Base interactions energy: -140.124 where: short stacking energy: -62.274 Base-Backbone interact. energy: -0.016 local terms energy: -58.733498 where: bonds (distance) C4'-P energy: -10.865 bonds (distance) P-C4' energy: -15.584 flat angles C4'-P-C4' energy: -13.365 flat angles P-C4'-P energy: -7.361 tors. eta vs tors. theta energy: -11.558 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: 1, replica: 3 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -286.155008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.155008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.155008 (E_RNA) where: Base-Base interactions energy: -209.187 where: short stacking energy: -96.092 Base-Backbone interact. energy: -0.602 local terms energy: -76.365602 where: bonds (distance) C4'-P energy: -12.178 bonds (distance) P-C4' energy: -20.353 flat angles C4'-P-C4' energy: -14.007 flat angles P-C4'-P energy: -8.487 tors. eta vs tors. theta energy: -21.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -291.841407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.841407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.841407 (E_RNA) where: Base-Base interactions energy: -206.698 where: short stacking energy: -93.187 Base-Backbone interact. energy: -1.999 local terms energy: -83.144681 where: bonds (distance) C4'-P energy: -13.862 bonds (distance) P-C4' energy: -18.749 flat angles C4'-P-C4' energy: -19.040 flat angles P-C4'-P energy: -8.453 tors. eta vs tors. theta energy: -23.041 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: 1 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -263.756744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.756744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.756744 (E_RNA) where: Base-Base interactions energy: -189.615 where: short stacking energy: -85.340 Base-Backbone interact. energy: -0.744 local terms energy: -73.397119 where: bonds (distance) C4'-P energy: -14.962 bonds (distance) P-C4' energy: -19.227 flat angles C4'-P-C4' energy: -12.854 flat angles P-C4'-P energy: -8.696 tors. eta vs tors. theta energy: -17.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -250.640217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.640217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.640217 (E_RNA) where: Base-Base interactions energy: -170.079 where: short stacking energy: -85.602 Base-Backbone interact. energy: -0.460 local terms energy: -80.101786 where: bonds (distance) C4'-P energy: -16.513 bonds (distance) P-C4' energy: -11.114 flat angles C4'-P-C4' energy: -19.042 flat angles P-C4'-P energy: -13.680 tors. eta vs tors. theta energy: -19.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -273.815264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.815264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.815264 (E_RNA) where: Base-Base interactions energy: -195.193 where: short stacking energy: -84.006 Base-Backbone interact. energy: -0.611 local terms energy: -78.011380 where: bonds (distance) C4'-P energy: -14.930 bonds (distance) P-C4' energy: -16.948 flat angles C4'-P-C4' energy: -17.293 flat angles P-C4'-P energy: -8.565 tors. eta vs tors. theta energy: -20.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -224.170773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.170773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.170773 (E_RNA) where: Base-Base interactions energy: -154.027 where: short stacking energy: -73.718 Base-Backbone interact. energy: -0.242 local terms energy: -69.901743 where: bonds (distance) C4'-P energy: -14.740 bonds (distance) P-C4' energy: -13.586 flat angles C4'-P-C4' energy: -14.007 flat angles P-C4'-P energy: -8.686 tors. eta vs tors. theta energy: -18.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -217.809602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.809602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.809602 (E_RNA) where: Base-Base interactions energy: -142.629 where: short stacking energy: -64.989 Base-Backbone interact. energy: -0.561 local terms energy: -74.619550 where: bonds (distance) C4'-P energy: -15.891 bonds (distance) P-C4' energy: -14.027 flat angles C4'-P-C4' energy: -15.916 flat angles P-C4'-P energy: -11.102 tors. eta vs tors. theta energy: -17.684 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: 8 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -214.043737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.043737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.043737 (E_RNA) where: Base-Base interactions energy: -142.110 where: short stacking energy: -64.723 Base-Backbone interact. energy: -0.438 local terms energy: -71.495661 where: bonds (distance) C4'-P energy: -16.566 bonds (distance) P-C4' energy: -15.121 flat angles C4'-P-C4' energy: -16.205 flat angles P-C4'-P energy: -10.027 tors. eta vs tors. theta energy: -13.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -212.331225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.331225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.331225 (E_RNA) where: Base-Base interactions energy: -137.201 where: short stacking energy: -59.386 Base-Backbone interact. energy: -0.695 local terms energy: -74.435403 where: bonds (distance) C4'-P energy: -16.322 bonds (distance) P-C4' energy: -12.265 flat angles C4'-P-C4' energy: -17.326 flat angles P-C4'-P energy: -11.572 tors. eta vs tors. theta energy: -16.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -203.991442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.991442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.991442 (E_RNA) where: Base-Base interactions energy: -137.681 where: short stacking energy: -58.139 Base-Backbone interact. energy: -0.305 local terms energy: -66.006181 where: bonds (distance) C4'-P energy: -11.760 bonds (distance) P-C4' energy: -15.509 flat angles C4'-P-C4' energy: -16.214 flat angles P-C4'-P energy: -7.202 tors. eta vs tors. theta energy: -15.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -297.641747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.641747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.641747 (E_RNA) where: Base-Base interactions energy: -211.061 where: short stacking energy: -94.166 Base-Backbone interact. energy: -2.007 local terms energy: -84.573930 where: bonds (distance) C4'-P energy: -14.500 bonds (distance) P-C4' energy: -17.216 flat angles C4'-P-C4' energy: -16.561 flat angles P-C4'-P energy: -13.465 tors. eta vs tors. theta energy: -22.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -284.131080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.131080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.131080 (E_RNA) where: Base-Base interactions energy: -202.154 where: short stacking energy: -90.191 Base-Backbone interact. energy: -0.778 local terms energy: -81.198432 where: bonds (distance) C4'-P energy: -15.723 bonds (distance) P-C4' energy: -12.930 flat angles C4'-P-C4' energy: -19.860 flat angles P-C4'-P energy: -10.638 tors. eta vs tors. theta energy: -22.048 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: 1 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -263.575804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.575804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.575804 (E_RNA) where: Base-Base interactions energy: -184.751 where: short stacking energy: -80.159 Base-Backbone interact. energy: -1.351 local terms energy: -77.473974 where: bonds (distance) C4'-P energy: -15.805 bonds (distance) P-C4' energy: -17.896 flat angles C4'-P-C4' energy: -15.886 flat angles P-C4'-P energy: -10.880 tors. eta vs tors. theta energy: -17.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -244.307142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.307142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.307142 (E_RNA) where: Base-Base interactions energy: -161.203 where: short stacking energy: -78.833 Base-Backbone interact. energy: 0.718 local terms energy: -83.822191 where: bonds (distance) C4'-P energy: -15.637 bonds (distance) P-C4' energy: -16.500 flat angles C4'-P-C4' energy: -16.575 flat angles P-C4'-P energy: -12.995 tors. eta vs tors. theta energy: -22.114 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: 314 Temperature: 1.100000 Total energy: -260.970194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.970194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.970194 (E_RNA) where: Base-Base interactions energy: -185.543 where: short stacking energy: -74.664 Base-Backbone interact. energy: -0.031 local terms energy: -75.395868 where: bonds (distance) C4'-P energy: -16.284 bonds (distance) P-C4' energy: -14.225 flat angles C4'-P-C4' energy: -16.479 flat angles P-C4'-P energy: -9.678 tors. eta vs tors. theta energy: -18.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -221.754574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.754574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.754574 (E_RNA) where: Base-Base interactions energy: -149.254 where: short stacking energy: -74.830 Base-Backbone interact. energy: 1.288 local terms energy: -73.788344 where: bonds (distance) C4'-P energy: -14.493 bonds (distance) P-C4' energy: -14.211 flat angles C4'-P-C4' energy: -16.190 flat angles P-C4'-P energy: -11.040 tors. eta vs tors. theta energy: -17.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -221.088008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.088008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.088008 (E_RNA) where: Base-Base interactions energy: -154.659 where: short stacking energy: -69.796 Base-Backbone interact. energy: -0.313 local terms energy: -66.116157 where: bonds (distance) C4'-P energy: -13.684 bonds (distance) P-C4' energy: -14.722 flat angles C4'-P-C4' energy: -17.279 flat angles P-C4'-P energy: -5.354 tors. eta vs tors. theta energy: -15.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -203.831366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.831366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.831366 (E_RNA) where: Base-Base interactions energy: -128.983 where: short stacking energy: -58.316 Base-Backbone interact. energy: -0.743 local terms energy: -74.104891 where: bonds (distance) C4'-P energy: -18.238 bonds (distance) P-C4' energy: -18.411 flat angles C4'-P-C4' energy: -12.040 flat angles P-C4'-P energy: -11.158 tors. eta vs tors. theta energy: -14.257 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: 2 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -210.613855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.613855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.613855 (E_RNA) where: Base-Base interactions energy: -139.505 where: short stacking energy: -64.037 Base-Backbone interact. energy: 0.005 local terms energy: -71.113821 where: bonds (distance) C4'-P energy: -15.654 bonds (distance) P-C4' energy: -11.373 flat angles C4'-P-C4' energy: -19.109 flat angles P-C4'-P energy: -9.043 tors. eta vs tors. theta energy: -15.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -204.461050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.461050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.461050 (E_RNA) where: Base-Base interactions energy: -150.168 where: short stacking energy: -76.273 Base-Backbone interact. energy: -0.085 local terms energy: -54.207283 where: bonds (distance) C4'-P energy: -11.641 bonds (distance) P-C4' energy: -9.311 flat angles C4'-P-C4' energy: -14.612 flat angles P-C4'-P energy: -6.182 tors. eta vs tors. theta energy: -12.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -299.313263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.313263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.313263 (E_RNA) where: Base-Base interactions energy: -213.832 where: short stacking energy: -91.242 Base-Backbone interact. energy: -1.190 local terms energy: -84.291558 where: bonds (distance) C4'-P energy: -15.925 bonds (distance) P-C4' energy: -18.763 flat angles C4'-P-C4' energy: -19.056 flat angles P-C4'-P energy: -8.580 tors. eta vs tors. theta energy: -21.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -279.925168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.925168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.925168 (E_RNA) where: Base-Base interactions energy: -200.494 where: short stacking energy: -91.861 Base-Backbone interact. energy: -0.134 local terms energy: -79.297838 where: bonds (distance) C4'-P energy: -17.738 bonds (distance) P-C4' energy: -16.673 flat angles C4'-P-C4' energy: -18.444 flat angles P-C4'-P energy: -8.335 tors. eta vs tors. theta energy: -18.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -275.138920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.138920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.138920 (E_RNA) where: Base-Base interactions energy: -196.133 where: short stacking energy: -90.736 Base-Backbone interact. energy: -0.542 local terms energy: -78.463493 where: bonds (distance) C4'-P energy: -18.939 bonds (distance) P-C4' energy: -17.688 flat angles C4'-P-C4' energy: -16.114 flat angles P-C4'-P energy: -5.298 tors. eta vs tors. theta energy: -20.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -273.163389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.163389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.163389 (E_RNA) where: Base-Base interactions energy: -192.556 where: short stacking energy: -80.030 Base-Backbone interact. energy: -0.747 local terms energy: -79.860444 where: bonds (distance) C4'-P energy: -14.579 bonds (distance) P-C4' energy: -18.969 flat angles C4'-P-C4' energy: -17.850 flat angles P-C4'-P energy: -9.238 tors. eta vs tors. theta energy: -19.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -238.846532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.846532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.846532 (E_RNA) where: Base-Base interactions energy: -155.627 where: short stacking energy: -80.511 Base-Backbone interact. energy: -0.492 local terms energy: -82.728036 where: bonds (distance) C4'-P energy: -17.527 bonds (distance) P-C4' energy: -18.644 flat angles C4'-P-C4' energy: -13.548 flat angles P-C4'-P energy: -11.931 tors. eta vs tors. theta energy: -21.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -221.211369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.211369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.211369 (E_RNA) where: Base-Base interactions energy: -146.328 where: short stacking energy: -71.505 Base-Backbone interact. energy: -0.252 local terms energy: -74.632046 where: bonds (distance) C4'-P energy: -15.934 bonds (distance) P-C4' energy: -13.681 flat angles C4'-P-C4' energy: -20.338 flat angles P-C4'-P energy: -8.716 tors. eta vs tors. theta energy: -15.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -200.117771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.117771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.117771 (E_RNA) where: Base-Base interactions energy: -138.465 where: short stacking energy: -68.198 Base-Backbone interact. energy: -0.141 local terms energy: -61.511837 where: bonds (distance) C4'-P energy: -10.228 bonds (distance) P-C4' energy: -14.638 flat angles C4'-P-C4' energy: -18.127 flat angles P-C4'-P energy: -7.199 tors. eta vs tors. theta energy: -11.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -216.226902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.226902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.226902 (E_RNA) where: Base-Base interactions energy: -149.859 where: short stacking energy: -71.579 Base-Backbone interact. energy: -0.001 local terms energy: -66.366718 where: bonds (distance) C4'-P energy: -12.808 bonds (distance) P-C4' energy: -13.677 flat angles C4'-P-C4' energy: -17.129 flat angles P-C4'-P energy: -5.522 tors. eta vs tors. theta energy: -17.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -202.487019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.487019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.487019 (E_RNA) where: Base-Base interactions energy: -136.075 where: short stacking energy: -68.711 Base-Backbone interact. energy: -0.440 local terms energy: -65.972751 where: bonds (distance) C4'-P energy: -11.255 bonds (distance) P-C4' energy: -15.091 flat angles C4'-P-C4' energy: -14.621 flat angles P-C4'-P energy: -9.036 tors. eta vs tors. theta energy: -15.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -197.103391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.103391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.103391 (E_RNA) where: Base-Base interactions energy: -134.591 where: short stacking energy: -59.228 Base-Backbone interact. energy: -0.198 local terms energy: -62.315149 where: bonds (distance) C4'-P energy: -13.826 bonds (distance) P-C4' energy: -15.663 flat angles C4'-P-C4' energy: -14.794 flat angles P-C4'-P energy: -6.070 tors. eta vs tors. theta energy: -11.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -287.961965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.961965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.961965 (E_RNA) where: Base-Base interactions energy: -209.803 where: short stacking energy: -99.805 Base-Backbone interact. energy: 1.570 local terms energy: -79.728509 where: bonds (distance) C4'-P energy: -18.569 bonds (distance) P-C4' energy: -16.353 flat angles C4'-P-C4' energy: -14.660 flat angles P-C4'-P energy: -7.432 tors. eta vs tors. theta energy: -22.714 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: 5 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -288.333979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.333979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.333979 (E_RNA) where: Base-Base interactions energy: -200.521 where: short stacking energy: -81.411 Base-Backbone interact. energy: -0.715 local terms energy: -87.098051 where: bonds (distance) C4'-P energy: -17.903 bonds (distance) P-C4' energy: -19.150 flat angles C4'-P-C4' energy: -14.982 flat angles P-C4'-P energy: -12.996 tors. eta vs tors. theta energy: -22.066 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: 7 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -278.888871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.888871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.888871 (E_RNA) where: Base-Base interactions energy: -190.595 where: short stacking energy: -88.628 Base-Backbone interact. energy: -2.234 local terms energy: -86.059022 where: bonds (distance) C4'-P energy: -14.355 bonds (distance) P-C4' energy: -20.609 flat angles C4'-P-C4' energy: -20.808 flat angles P-C4'-P energy: -8.425 tors. eta vs tors. theta energy: -21.862 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: 1 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -265.381629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.381629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.381629 (E_RNA) where: Base-Base interactions energy: -186.845 where: short stacking energy: -85.194 Base-Backbone interact. energy: -0.122 local terms energy: -78.413905 where: bonds (distance) C4'-P energy: -17.726 bonds (distance) P-C4' energy: -16.774 flat angles C4'-P-C4' energy: -17.170 flat angles P-C4'-P energy: -8.805 tors. eta vs tors. theta energy: -17.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -236.834654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.834654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.834654 (E_RNA) where: Base-Base interactions energy: -158.141 where: short stacking energy: -80.632 Base-Backbone interact. energy: -0.456 local terms energy: -78.237356 where: bonds (distance) C4'-P energy: -17.308 bonds (distance) P-C4' energy: -14.212 flat angles C4'-P-C4' energy: -15.868 flat angles P-C4'-P energy: -11.060 tors. eta vs tors. theta energy: -19.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -240.800355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.800355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.800355 (E_RNA) where: Base-Base interactions energy: -153.808 where: short stacking energy: -65.375 Base-Backbone interact. energy: -1.023 local terms energy: -85.969163 where: bonds (distance) C4'-P energy: -19.547 bonds (distance) P-C4' energy: -19.352 flat angles C4'-P-C4' energy: -13.162 flat angles P-C4'-P energy: -13.128 tors. eta vs tors. theta energy: -20.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -222.704780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.704780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.704780 (E_RNA) where: Base-Base interactions energy: -153.057 where: short stacking energy: -75.774 Base-Backbone interact. energy: -0.796 local terms energy: -68.851818 where: bonds (distance) C4'-P energy: -15.994 bonds (distance) P-C4' energy: -11.167 flat angles C4'-P-C4' energy: -16.731 flat angles P-C4'-P energy: -9.668 tors. eta vs tors. theta energy: -15.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -215.907183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.907183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.907183 (E_RNA) where: Base-Base interactions energy: -145.104 where: short stacking energy: -69.288 Base-Backbone interact. energy: -0.048 local terms energy: -70.755234 where: bonds (distance) C4'-P energy: -15.704 bonds (distance) P-C4' energy: -16.635 flat angles C4'-P-C4' energy: -15.842 flat angles P-C4'-P energy: -8.745 tors. eta vs tors. theta energy: -13.829 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: 9, replica: 8 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -199.783029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.783029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.783029 (E_RNA) where: Base-Base interactions energy: -133.146 where: short stacking energy: -66.791 Base-Backbone interact. energy: -0.196 local terms energy: -66.440137 where: bonds (distance) C4'-P energy: -10.651 bonds (distance) P-C4' energy: -16.040 flat angles C4'-P-C4' energy: -17.038 flat angles P-C4'-P energy: -8.689 tors. eta vs tors. theta energy: -14.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -180.526294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.526294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.526294 (E_RNA) where: Base-Base interactions energy: -131.339 where: short stacking energy: -56.279 Base-Backbone interact. energy: -0.132 local terms energy: -49.055894 where: bonds (distance) C4'-P energy: -10.273 bonds (distance) P-C4' energy: -15.182 flat angles C4'-P-C4' energy: -17.629 flat angles P-C4'-P energy: -2.543 tors. eta vs tors. theta energy: -3.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -293.164649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.164649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.164649 (E_RNA) where: Base-Base interactions energy: -212.439 where: short stacking energy: -97.144 Base-Backbone interact. energy: -0.129 local terms energy: -80.596745 where: bonds (distance) C4'-P energy: -17.169 bonds (distance) P-C4' energy: -19.178 flat angles C4'-P-C4' energy: -16.736 flat angles P-C4'-P energy: -7.152 tors. eta vs tors. theta energy: -20.362 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: 2, replica: 5 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -301.617470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.617470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.617470 (E_RNA) where: Base-Base interactions energy: -214.652 where: short stacking energy: -92.678 Base-Backbone interact. energy: -1.654 local terms energy: -85.311622 where: bonds (distance) C4'-P energy: -15.684 bonds (distance) P-C4' energy: -13.830 flat angles C4'-P-C4' energy: -18.465 flat angles P-C4'-P energy: -13.146 tors. eta vs tors. theta energy: -24.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -288.011798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.011798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.011798 (E_RNA) where: Base-Base interactions energy: -203.673 where: short stacking energy: -89.312 Base-Backbone interact. energy: -0.537 local terms energy: -83.801558 where: bonds (distance) C4'-P energy: -14.517 bonds (distance) P-C4' energy: -17.326 flat angles C4'-P-C4' energy: -16.911 flat angles P-C4'-P energy: -12.311 tors. eta vs tors. theta energy: -22.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -262.461095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.461095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.461095 (E_RNA) where: Base-Base interactions energy: -181.002 where: short stacking energy: -71.527 Base-Backbone interact. energy: -0.152 local terms energy: -81.307429 where: bonds (distance) C4'-P energy: -16.501 bonds (distance) P-C4' energy: -19.796 flat angles C4'-P-C4' energy: -14.646 flat angles P-C4'-P energy: -11.613 tors. eta vs tors. theta energy: -18.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -228.895723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.895723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.895723 (E_RNA) where: Base-Base interactions energy: -151.568 where: short stacking energy: -66.944 Base-Backbone interact. energy: -0.157 local terms energy: -77.170859 where: bonds (distance) C4'-P energy: -15.795 bonds (distance) P-C4' energy: -19.337 flat angles C4'-P-C4' energy: -16.209 flat angles P-C4'-P energy: -11.698 tors. eta vs tors. theta energy: -14.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -228.656081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.656081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.656081 (E_RNA) where: Base-Base interactions energy: -150.421 where: short stacking energy: -76.812 Base-Backbone interact. energy: -1.392 local terms energy: -76.843124 where: bonds (distance) C4'-P energy: -15.537 bonds (distance) P-C4' energy: -19.982 flat angles C4'-P-C4' energy: -16.973 flat angles P-C4'-P energy: -10.334 tors. eta vs tors. theta energy: -14.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -233.889498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.889498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.889498 (E_RNA) where: Base-Base interactions energy: -157.919 where: short stacking energy: -78.823 Base-Backbone interact. energy: -0.246 local terms energy: -75.724540 where: bonds (distance) C4'-P energy: -12.052 bonds (distance) P-C4' energy: -18.719 flat angles C4'-P-C4' energy: -16.116 flat angles P-C4'-P energy: -7.413 tors. eta vs tors. theta energy: -21.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -225.587424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.587424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.587424 (E_RNA) where: Base-Base interactions energy: -150.569 where: short stacking energy: -70.918 Base-Backbone interact. energy: -0.184 local terms energy: -74.833497 where: bonds (distance) C4'-P energy: -20.214 bonds (distance) P-C4' energy: -13.673 flat angles C4'-P-C4' energy: -14.807 flat angles P-C4'-P energy: -9.721 tors. eta vs tors. theta energy: -16.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -200.229184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.229184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.229184 (E_RNA) where: Base-Base interactions energy: -133.573 where: short stacking energy: -62.542 Base-Backbone interact. energy: -0.273 local terms energy: -66.382985 where: bonds (distance) C4'-P energy: -8.885 bonds (distance) P-C4' energy: -12.638 flat angles C4'-P-C4' energy: -16.085 flat angles P-C4'-P energy: -11.590 tors. eta vs tors. theta energy: -17.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -204.177114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.177114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.177114 (E_RNA) where: Base-Base interactions energy: -142.506 where: short stacking energy: -65.104 Base-Backbone interact. energy: -0.390 local terms energy: -61.281100 where: bonds (distance) C4'-P energy: -16.437 bonds (distance) P-C4' energy: -15.444 flat angles C4'-P-C4' energy: -13.144 flat angles P-C4'-P energy: -5.579 tors. eta vs tors. theta energy: -10.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -296.036284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.036284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.036284 (E_RNA) where: Base-Base interactions energy: -207.935 where: short stacking energy: -93.732 Base-Backbone interact. energy: -3.519 local terms energy: -84.581880 where: bonds (distance) C4'-P energy: -15.365 bonds (distance) P-C4' energy: -18.931 flat angles C4'-P-C4' energy: -17.617 flat angles P-C4'-P energy: -9.019 tors. eta vs tors. theta energy: -23.650 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: 3 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -281.488937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.488937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.488937 (E_RNA) where: Base-Base interactions energy: -194.530 where: short stacking energy: -87.300 Base-Backbone interact. energy: -0.820 local terms energy: -86.138667 where: bonds (distance) C4'-P energy: -13.822 bonds (distance) P-C4' energy: -19.821 flat angles C4'-P-C4' energy: -17.975 flat angles P-C4'-P energy: -12.938 tors. eta vs tors. theta energy: -21.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -262.802766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.802766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.802766 (E_RNA) where: Base-Base interactions energy: -183.359 where: short stacking energy: -78.433 Base-Backbone interact. energy: -2.342 local terms energy: -77.102207 where: bonds (distance) C4'-P energy: -17.030 bonds (distance) P-C4' energy: -18.351 flat angles C4'-P-C4' energy: -16.064 flat angles P-C4'-P energy: -9.432 tors. eta vs tors. theta energy: -16.224 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: 7 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -257.805296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.805296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.805296 (E_RNA) where: Base-Base interactions energy: -187.133 where: short stacking energy: -68.268 Base-Backbone interact. energy: -0.086 local terms energy: -70.586247 where: bonds (distance) C4'-P energy: -12.220 bonds (distance) P-C4' energy: -15.273 flat angles C4'-P-C4' energy: -18.112 flat angles P-C4'-P energy: -4.793 tors. eta vs tors. theta energy: -20.189 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: 6 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -222.132200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.132200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.132200 (E_RNA) where: Base-Base interactions energy: -151.118 where: short stacking energy: -77.086 Base-Backbone interact. energy: -0.279 local terms energy: -70.734792 where: bonds (distance) C4'-P energy: -13.701 bonds (distance) P-C4' energy: -14.061 flat angles C4'-P-C4' energy: -15.713 flat angles P-C4'-P energy: -11.011 tors. eta vs tors. theta energy: -16.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -225.324444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.324444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.324444 (E_RNA) where: Base-Base interactions energy: -158.067 where: short stacking energy: -78.947 Base-Backbone interact. energy: -1.053 local terms energy: -66.204335 where: bonds (distance) C4'-P energy: -13.270 bonds (distance) P-C4' energy: -14.695 flat angles C4'-P-C4' energy: -15.891 flat angles P-C4'-P energy: -7.818 tors. eta vs tors. theta energy: -14.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -229.366279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.366279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.366279 (E_RNA) where: Base-Base interactions energy: -152.020 where: short stacking energy: -80.700 Base-Backbone interact. energy: -0.922 local terms energy: -76.423687 where: bonds (distance) C4'-P energy: -15.763 bonds (distance) P-C4' energy: -12.676 flat angles C4'-P-C4' energy: -15.927 flat angles P-C4'-P energy: -11.396 tors. eta vs tors. theta energy: -20.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -212.168631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.168631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.168631 (E_RNA) where: Base-Base interactions energy: -149.623 where: short stacking energy: -73.266 Base-Backbone interact. energy: 2.696 local terms energy: -65.241314 where: bonds (distance) C4'-P energy: -9.147 bonds (distance) P-C4' energy: -11.595 flat angles C4'-P-C4' energy: -19.324 flat angles P-C4'-P energy: -8.979 tors. eta vs tors. theta energy: -16.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -207.445284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.445284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.445284 (E_RNA) where: Base-Base interactions energy: -146.094 where: short stacking energy: -73.567 Base-Backbone interact. energy: 1.263 local terms energy: -62.613961 where: bonds (distance) C4'-P energy: -7.685 bonds (distance) P-C4' energy: -9.927 flat angles C4'-P-C4' energy: -19.158 flat angles P-C4'-P energy: -10.152 tors. eta vs tors. theta energy: -15.691 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: 10, replica: 4 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -198.627031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.627031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.627031 (E_RNA) where: Base-Base interactions energy: -129.883 where: short stacking energy: -63.334 Base-Backbone interact. energy: -0.422 local terms energy: -68.321823 where: bonds (distance) C4'-P energy: -15.844 bonds (distance) P-C4' energy: -15.428 flat angles C4'-P-C4' energy: -14.930 flat angles P-C4'-P energy: -12.598 tors. eta vs tors. theta energy: -9.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -281.131382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.131382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.131382 (E_RNA) where: Base-Base interactions energy: -194.151 where: short stacking energy: -88.214 Base-Backbone interact. energy: -0.787 local terms energy: -86.192734 where: bonds (distance) C4'-P energy: -17.377 bonds (distance) P-C4' energy: -16.809 flat angles C4'-P-C4' energy: -18.765 flat angles P-C4'-P energy: -11.023 tors. eta vs tors. theta energy: -22.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -264.225482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.225482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.225482 (E_RNA) where: Base-Base interactions energy: -182.088 where: short stacking energy: -85.451 Base-Backbone interact. energy: -0.207 local terms energy: -81.930206 where: bonds (distance) C4'-P energy: -16.650 bonds (distance) P-C4' energy: -21.078 flat angles C4'-P-C4' energy: -17.631 flat angles P-C4'-P energy: -9.979 tors. eta vs tors. theta energy: -16.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -262.939848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.939848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.939848 (E_RNA) where: Base-Base interactions energy: -188.400 where: short stacking energy: -86.701 Base-Backbone interact. energy: -0.403 local terms energy: -74.136673 where: bonds (distance) C4'-P energy: -19.812 bonds (distance) P-C4' energy: -14.718 flat angles C4'-P-C4' energy: -12.731 flat angles P-C4'-P energy: -8.419 tors. eta vs tors. theta energy: -18.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -257.083027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.083027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.083027 (E_RNA) where: Base-Base interactions energy: -184.178 where: short stacking energy: -78.545 Base-Backbone interact. energy: -0.591 local terms energy: -72.313889 where: bonds (distance) C4'-P energy: -17.009 bonds (distance) P-C4' energy: -14.493 flat angles C4'-P-C4' energy: -14.448 flat angles P-C4'-P energy: -8.616 tors. eta vs tors. theta energy: -17.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -233.187031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.187031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.187031 (E_RNA) where: Base-Base interactions energy: -161.830 where: short stacking energy: -84.821 Base-Backbone interact. energy: 0.885 local terms energy: -72.241937 where: bonds (distance) C4'-P energy: -11.934 bonds (distance) P-C4' energy: -15.076 flat angles C4'-P-C4' energy: -18.952 flat angles P-C4'-P energy: -7.532 tors. eta vs tors. theta energy: -18.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -238.071453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.071453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.071453 (E_RNA) where: Base-Base interactions energy: -166.987 where: short stacking energy: -77.112 Base-Backbone interact. energy: -0.054 local terms energy: -71.030686 where: bonds (distance) C4'-P energy: -15.040 bonds (distance) P-C4' energy: -15.325 flat angles C4'-P-C4' energy: -12.634 flat angles P-C4'-P energy: -9.444 tors. eta vs tors. theta energy: -18.588 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: 2 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -204.325464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.325464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.325464 (E_RNA) where: Base-Base interactions energy: -135.255 where: short stacking energy: -64.806 Base-Backbone interact. energy: -2.372 local terms energy: -66.698276 where: bonds (distance) C4'-P energy: -15.622 bonds (distance) P-C4' energy: -11.621 flat angles C4'-P-C4' energy: -14.880 flat angles P-C4'-P energy: -14.005 tors. eta vs tors. theta energy: -10.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -220.394875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.394875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.394875 (E_RNA) where: Base-Base interactions energy: -151.016 where: short stacking energy: -74.874 Base-Backbone interact. energy: -0.335 local terms energy: -69.043688 where: bonds (distance) C4'-P energy: -12.711 bonds (distance) P-C4' energy: -16.349 flat angles C4'-P-C4' energy: -14.351 flat angles P-C4'-P energy: -5.916 tors. eta vs tors. theta energy: -19.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -207.472377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.472377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.472377 (E_RNA) where: Base-Base interactions energy: -146.983 where: short stacking energy: -70.730 Base-Backbone interact. energy: -0.144 local terms energy: -60.344666 where: bonds (distance) C4'-P energy: -12.902 bonds (distance) P-C4' energy: -13.852 flat angles C4'-P-C4' energy: -13.167 flat angles P-C4'-P energy: -4.057 tors. eta vs tors. theta energy: -16.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -200.649652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.649652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.649652 (E_RNA) where: Base-Base interactions energy: -134.765 where: short stacking energy: -64.815 Base-Backbone interact. energy: -0.056 local terms energy: -65.828058 where: bonds (distance) C4'-P energy: -11.138 bonds (distance) P-C4' energy: -11.938 flat angles C4'-P-C4' energy: -17.365 flat angles P-C4'-P energy: -9.850 tors. eta vs tors. theta energy: -15.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -291.505702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.505702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.505702 (E_RNA) where: Base-Base interactions energy: -202.477 where: short stacking energy: -99.869 Base-Backbone interact. energy: -2.111 local terms energy: -86.917619 where: bonds (distance) C4'-P energy: -17.304 bonds (distance) P-C4' energy: -17.678 flat angles C4'-P-C4' energy: -17.227 flat angles P-C4'-P energy: -11.673 tors. eta vs tors. theta energy: -23.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -268.596246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.596246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.596246 (E_RNA) where: Base-Base interactions energy: -192.633 where: short stacking energy: -89.852 Base-Backbone interact. energy: -1.149 local terms energy: -74.813898 where: bonds (distance) C4'-P energy: -15.804 bonds (distance) P-C4' energy: -15.650 flat angles C4'-P-C4' energy: -15.905 flat angles P-C4'-P energy: -8.334 tors. eta vs tors. theta energy: -19.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -260.686949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.686949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.686949 (E_RNA) where: Base-Base interactions energy: -189.842 where: short stacking energy: -85.860 Base-Backbone interact. energy: -0.146 local terms energy: -70.699022 where: bonds (distance) C4'-P energy: -10.361 bonds (distance) P-C4' energy: -13.392 flat angles C4'-P-C4' energy: -18.508 flat angles P-C4'-P energy: -9.430 tors. eta vs tors. theta energy: -19.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -281.867983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.867983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.867983 (E_RNA) where: Base-Base interactions energy: -198.601 where: short stacking energy: -87.930 Base-Backbone interact. energy: -0.504 local terms energy: -82.762945 where: bonds (distance) C4'-P energy: -20.817 bonds (distance) P-C4' energy: -13.189 flat angles C4'-P-C4' energy: -16.355 flat angles P-C4'-P energy: -10.222 tors. eta vs tors. theta energy: -22.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -258.895298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.895298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.895298 (E_RNA) where: Base-Base interactions energy: -185.613 where: short stacking energy: -76.822 Base-Backbone interact. energy: -0.132 local terms energy: -73.150067 where: bonds (distance) C4'-P energy: -11.450 bonds (distance) P-C4' energy: -18.114 flat angles C4'-P-C4' energy: -18.132 flat angles P-C4'-P energy: -6.942 tors. eta vs tors. theta energy: -18.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -223.051508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.051508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.051508 (E_RNA) where: Base-Base interactions energy: -155.817 where: short stacking energy: -72.222 Base-Backbone interact. energy: -0.289 local terms energy: -66.946191 where: bonds (distance) C4'-P energy: -9.612 bonds (distance) P-C4' energy: -16.505 flat angles C4'-P-C4' energy: -16.679 flat angles P-C4'-P energy: -5.442 tors. eta vs tors. theta energy: -18.709 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: 8 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -226.196190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.196190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.196190 (E_RNA) where: Base-Base interactions energy: -155.867 where: short stacking energy: -74.978 Base-Backbone interact. energy: -0.278 local terms energy: -70.051377 where: bonds (distance) C4'-P energy: -18.019 bonds (distance) P-C4' energy: -15.868 flat angles C4'-P-C4' energy: -14.148 flat angles P-C4'-P energy: -3.844 tors. eta vs tors. theta energy: -18.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -212.038314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.038314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.038314 (E_RNA) where: Base-Base interactions energy: -141.889 where: short stacking energy: -69.822 Base-Backbone interact. energy: -0.036 local terms energy: -70.112821 where: bonds (distance) C4'-P energy: -13.884 bonds (distance) P-C4' energy: -17.212 flat angles C4'-P-C4' energy: -14.589 flat angles P-C4'-P energy: -12.238 tors. eta vs tors. theta energy: -12.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -193.253866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.253866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.253866 (E_RNA) where: Base-Base interactions energy: -129.160 where: short stacking energy: -61.111 Base-Backbone interact. energy: -0.205 local terms energy: -63.888207 where: bonds (distance) C4'-P energy: -16.649 bonds (distance) P-C4' energy: -12.255 flat angles C4'-P-C4' energy: -16.371 flat angles P-C4'-P energy: -10.795 tors. eta vs tors. theta energy: -7.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -199.345185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.345185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.345185 (E_RNA) where: Base-Base interactions energy: -137.606 where: short stacking energy: -65.146 Base-Backbone interact. energy: -0.502 local terms energy: -61.237433 where: bonds (distance) C4'-P energy: -19.982 bonds (distance) P-C4' energy: -9.714 flat angles C4'-P-C4' energy: -10.115 flat angles P-C4'-P energy: -7.868 tors. eta vs tors. theta energy: -13.558 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: 1, replica: 5 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -292.293700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.293700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.293700 (E_RNA) where: Base-Base interactions energy: -206.442 where: short stacking energy: -96.643 Base-Backbone interact. energy: -1.382 local terms energy: -84.470075 where: bonds (distance) C4'-P energy: -12.249 bonds (distance) P-C4' energy: -19.824 flat angles C4'-P-C4' energy: -17.993 flat angles P-C4'-P energy: -11.881 tors. eta vs tors. theta energy: -22.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -279.965905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.965905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.965905 (E_RNA) where: Base-Base interactions energy: -198.129 where: short stacking energy: -87.409 Base-Backbone interact. energy: -1.602 local terms energy: -80.234256 where: bonds (distance) C4'-P energy: -18.550 bonds (distance) P-C4' energy: -19.128 flat angles C4'-P-C4' energy: -16.133 flat angles P-C4'-P energy: -7.893 tors. eta vs tors. theta energy: -18.530 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: 7 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -282.207259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.207259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.207259 (E_RNA) where: Base-Base interactions energy: -197.473 where: short stacking energy: -93.308 Base-Backbone interact. energy: 0.055 local terms energy: -84.789592 where: bonds (distance) C4'-P energy: -17.249 bonds (distance) P-C4' energy: -17.065 flat angles C4'-P-C4' energy: -15.413 flat angles P-C4'-P energy: -13.840 tors. eta vs tors. theta energy: -21.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -264.869089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.869089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.869089 (E_RNA) where: Base-Base interactions energy: -182.369 where: short stacking energy: -80.112 Base-Backbone interact. energy: -0.704 local terms energy: -81.795873 where: bonds (distance) C4'-P energy: -17.286 bonds (distance) P-C4' energy: -16.740 flat angles C4'-P-C4' energy: -17.992 flat angles P-C4'-P energy: -11.217 tors. eta vs tors. theta energy: -18.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -264.641913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.641913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.641913 (E_RNA) where: Base-Base interactions energy: -184.893 where: short stacking energy: -84.680 Base-Backbone interact. energy: -0.595 local terms energy: -79.153636 where: bonds (distance) C4'-P energy: -18.582 bonds (distance) P-C4' energy: -15.844 flat angles C4'-P-C4' energy: -17.237 flat angles P-C4'-P energy: -5.641 tors. eta vs tors. theta energy: -21.850 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: 6, replica: 8 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -237.126772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.126772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.126772 (E_RNA) where: Base-Base interactions energy: -155.408 where: short stacking energy: -80.558 Base-Backbone interact. energy: -0.056 local terms energy: -81.662409 where: bonds (distance) C4'-P energy: -17.573 bonds (distance) P-C4' energy: -18.090 flat angles C4'-P-C4' energy: -10.631 flat angles P-C4'-P energy: -14.770 tors. eta vs tors. theta energy: -20.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -227.171399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.171399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.171399 (E_RNA) where: Base-Base interactions energy: -163.439 where: short stacking energy: -81.062 Base-Backbone interact. energy: 3.684 local terms energy: -67.416536 where: bonds (distance) C4'-P energy: -12.538 bonds (distance) P-C4' energy: -14.881 flat angles C4'-P-C4' energy: -13.899 flat angles P-C4'-P energy: -8.043 tors. eta vs tors. theta energy: -18.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -204.732792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.732792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.732792 (E_RNA) where: Base-Base interactions energy: -138.787 where: short stacking energy: -65.027 Base-Backbone interact. energy: -0.038 local terms energy: -65.907171 where: bonds (distance) C4'-P energy: -12.157 bonds (distance) P-C4' energy: -17.935 flat angles C4'-P-C4' energy: -13.638 flat angles P-C4'-P energy: -10.214 tors. eta vs tors. theta energy: -11.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -199.185357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.185357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.185357 (E_RNA) where: Base-Base interactions energy: -132.919 where: short stacking energy: -58.376 Base-Backbone interact. energy: -0.437 local terms energy: -65.829703 where: bonds (distance) C4'-P energy: -10.931 bonds (distance) P-C4' energy: -16.234 flat angles C4'-P-C4' energy: -17.773 flat angles P-C4'-P energy: -9.122 tors. eta vs tors. theta energy: -11.769 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: 9 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -207.539191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.539191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.539191 (E_RNA) where: Base-Base interactions energy: -129.975 where: short stacking energy: -72.201 Base-Backbone interact. energy: -0.001 local terms energy: -77.563316 where: bonds (distance) C4'-P energy: -17.593 bonds (distance) P-C4' energy: -13.248 flat angles C4'-P-C4' energy: -17.872 flat angles P-C4'-P energy: -11.968 tors. eta vs tors. theta energy: -16.882 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: 1, replica: 1 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -282.985337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.985337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.985337 (E_RNA) where: Base-Base interactions energy: -193.526 where: short stacking energy: -92.994 Base-Backbone interact. energy: -0.182 local terms energy: -89.277404 where: bonds (distance) C4'-P energy: -19.592 bonds (distance) P-C4' energy: -18.092 flat angles C4'-P-C4' energy: -19.378 flat angles P-C4'-P energy: -13.048 tors. eta vs tors. theta energy: -19.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -294.651597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.651597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.651597 (E_RNA) where: Base-Base interactions energy: -205.899 where: short stacking energy: -85.781 Base-Backbone interact. energy: -1.853 local terms energy: -86.899922 where: bonds (distance) C4'-P energy: -17.112 bonds (distance) P-C4' energy: -15.931 flat angles C4'-P-C4' energy: -20.270 flat angles P-C4'-P energy: -10.138 tors. eta vs tors. theta energy: -23.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -281.939634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.939634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.939634 (E_RNA) where: Base-Base interactions energy: -195.846 where: short stacking energy: -75.252 Base-Backbone interact. energy: 0.968 local terms energy: -87.061231 where: bonds (distance) C4'-P energy: -18.872 bonds (distance) P-C4' energy: -19.483 flat angles C4'-P-C4' energy: -15.140 flat angles P-C4'-P energy: -14.322 tors. eta vs tors. theta energy: -19.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -271.479947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.479947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.479947 (E_RNA) where: Base-Base interactions energy: -188.568 where: short stacking energy: -86.898 Base-Backbone interact. energy: -0.689 local terms energy: -82.222214 where: bonds (distance) C4'-P energy: -14.313 bonds (distance) P-C4' energy: -15.579 flat angles C4'-P-C4' energy: -17.981 flat angles P-C4'-P energy: -12.944 tors. eta vs tors. theta energy: -21.407 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: 10 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -257.099326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.099326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.099326 (E_RNA) where: Base-Base interactions energy: -181.511 where: short stacking energy: -89.271 Base-Backbone interact. energy: -1.108 local terms energy: -74.480407 where: bonds (distance) C4'-P energy: -16.265 bonds (distance) P-C4' energy: -14.948 flat angles C4'-P-C4' energy: -16.488 flat angles P-C4'-P energy: -8.461 tors. eta vs tors. theta energy: -18.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -228.243637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.243637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.243637 (E_RNA) where: Base-Base interactions energy: -156.131 where: short stacking energy: -81.373 Base-Backbone interact. energy: -0.000 local terms energy: -72.112054 where: bonds (distance) C4'-P energy: -14.186 bonds (distance) P-C4' energy: -11.806 flat angles C4'-P-C4' energy: -14.584 flat angles P-C4'-P energy: -10.971 tors. eta vs tors. theta energy: -20.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -208.571406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.571406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.571406 (E_RNA) where: Base-Base interactions energy: -137.576 where: short stacking energy: -61.919 Base-Backbone interact. energy: -0.130 local terms energy: -70.865851 where: bonds (distance) C4'-P energy: -15.381 bonds (distance) P-C4' energy: -16.470 flat angles C4'-P-C4' energy: -16.542 flat angles P-C4'-P energy: -7.953 tors. eta vs tors. theta energy: -14.519 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: 6 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -207.411280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.411280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.411280 (E_RNA) where: Base-Base interactions energy: -137.742 where: short stacking energy: -62.647 Base-Backbone interact. energy: -0.148 local terms energy: -69.521964 where: bonds (distance) C4'-P energy: -13.623 bonds (distance) P-C4' energy: -17.178 flat angles C4'-P-C4' energy: -15.475 flat angles P-C4'-P energy: -8.446 tors. eta vs tors. theta energy: -14.800 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: 322 Temperature: 1.300000 Total energy: -222.059864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.059864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.059864 (E_RNA) where: Base-Base interactions energy: -148.114 where: short stacking energy: -78.071 Base-Backbone interact. energy: -0.328 local terms energy: -73.618144 where: bonds (distance) C4'-P energy: -14.190 bonds (distance) P-C4' energy: -15.153 flat angles C4'-P-C4' energy: -15.445 flat angles P-C4'-P energy: -10.463 tors. eta vs tors. theta energy: -18.368 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: 10, replica: 2 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -183.245733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.245733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.245733 (E_RNA) where: Base-Base interactions energy: -129.947 where: short stacking energy: -55.487 Base-Backbone interact. energy: -0.762 local terms energy: -52.537495 where: bonds (distance) C4'-P energy: -9.863 bonds (distance) P-C4' energy: -11.365 flat angles C4'-P-C4' energy: -18.448 flat angles P-C4'-P energy: -4.065 tors. eta vs tors. theta energy: -8.797 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: 1 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -287.250725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.250725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.250725 (E_RNA) where: Base-Base interactions energy: -208.701 where: short stacking energy: -87.746 Base-Backbone interact. energy: -2.147 local terms energy: -76.403158 where: bonds (distance) C4'-P energy: -16.426 bonds (distance) P-C4' energy: -15.247 flat angles C4'-P-C4' energy: -16.109 flat angles P-C4'-P energy: -9.292 tors. eta vs tors. theta energy: -19.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -287.813752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.813752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.813752 (E_RNA) where: Base-Base interactions energy: -202.639 where: short stacking energy: -84.163 Base-Backbone interact. energy: -0.932 local terms energy: -84.242227 where: bonds (distance) C4'-P energy: -18.069 bonds (distance) P-C4' energy: -17.657 flat angles C4'-P-C4' energy: -19.379 flat angles P-C4'-P energy: -8.300 tors. eta vs tors. theta energy: -20.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -277.033618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.033618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.033618 (E_RNA) where: Base-Base interactions energy: -193.277 where: short stacking energy: -90.775 Base-Backbone interact. energy: -0.351 local terms energy: -83.405869 where: bonds (distance) C4'-P energy: -14.897 bonds (distance) P-C4' energy: -17.917 flat angles C4'-P-C4' energy: -16.819 flat angles P-C4'-P energy: -13.045 tors. eta vs tors. theta energy: -20.727 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: 323 Temperature: 1.050000 Total energy: -263.628524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.628524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.628524 (E_RNA) where: Base-Base interactions energy: -183.087 where: short stacking energy: -84.802 Base-Backbone interact. energy: 1.005 local terms energy: -81.546660 where: bonds (distance) C4'-P energy: -17.394 bonds (distance) P-C4' energy: -17.899 flat angles C4'-P-C4' energy: -13.844 flat angles P-C4'-P energy: -12.972 tors. eta vs tors. theta energy: -19.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -263.391388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.391388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.391388 (E_RNA) where: Base-Base interactions energy: -183.324 where: short stacking energy: -81.445 Base-Backbone interact. energy: -0.672 local terms energy: -79.394595 where: bonds (distance) C4'-P energy: -14.343 bonds (distance) P-C4' energy: -18.083 flat angles C4'-P-C4' energy: -18.692 flat angles P-C4'-P energy: -10.095 tors. eta vs tors. theta energy: -18.183 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: 8 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -229.437977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.437977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.437977 (E_RNA) where: Base-Base interactions energy: -156.489 where: short stacking energy: -79.247 Base-Backbone interact. energy: -0.043 local terms energy: -72.905718 where: bonds (distance) C4'-P energy: -11.189 bonds (distance) P-C4' energy: -13.053 flat angles C4'-P-C4' energy: -17.814 flat angles P-C4'-P energy: -11.165 tors. eta vs tors. theta energy: -19.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -224.610855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.610855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.610855 (E_RNA) where: Base-Base interactions energy: -144.538 where: short stacking energy: -76.130 Base-Backbone interact. energy: -1.758 local terms energy: -78.314791 where: bonds (distance) C4'-P energy: -19.078 bonds (distance) P-C4' energy: -16.790 flat angles C4'-P-C4' energy: -14.636 flat angles P-C4'-P energy: -9.872 tors. eta vs tors. theta energy: -17.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -217.616901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.616901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.616901 (E_RNA) where: Base-Base interactions energy: -140.844 where: short stacking energy: -66.744 Base-Backbone interact. energy: -0.120 local terms energy: -76.652682 where: bonds (distance) C4'-P energy: -18.567 bonds (distance) P-C4' energy: -16.315 flat angles C4'-P-C4' energy: -16.256 flat angles P-C4'-P energy: -9.546 tors. eta vs tors. theta energy: -15.969 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: 9 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -203.898727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.898727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.898727 (E_RNA) where: Base-Base interactions energy: -134.712 where: short stacking energy: -71.590 Base-Backbone interact. energy: -0.331 local terms energy: -68.855479 where: bonds (distance) C4'-P energy: -18.479 bonds (distance) P-C4' energy: -6.519 flat angles C4'-P-C4' energy: -12.809 flat angles P-C4'-P energy: -14.050 tors. eta vs tors. theta energy: -16.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -194.982971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.982971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.982971 (E_RNA) where: Base-Base interactions energy: -143.743 where: short stacking energy: -65.754 Base-Backbone interact. energy: -0.335 local terms energy: -50.905760 where: bonds (distance) C4'-P energy: -4.966 bonds (distance) P-C4' energy: -11.765 flat angles C4'-P-C4' energy: -14.409 flat angles P-C4'-P energy: -6.362 tors. eta vs tors. theta energy: -13.404 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: 1 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -288.070050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.070050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.070050 (E_RNA) where: Base-Base interactions energy: -205.239 where: short stacking energy: -82.865 Base-Backbone interact. energy: -0.086 local terms energy: -82.744777 where: bonds (distance) C4'-P energy: -17.283 bonds (distance) P-C4' energy: -13.880 flat angles C4'-P-C4' energy: -20.629 flat angles P-C4'-P energy: -11.663 tors. eta vs tors. theta energy: -19.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -287.273327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.273327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.273327 (E_RNA) where: Base-Base interactions energy: -197.654 where: short stacking energy: -87.872 Base-Backbone interact. energy: -1.715 local terms energy: -87.905021 where: bonds (distance) C4'-P energy: -17.552 bonds (distance) P-C4' energy: -21.600 flat angles C4'-P-C4' energy: -16.818 flat angles P-C4'-P energy: -9.798 tors. eta vs tors. theta energy: -22.137 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: 3 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -278.432155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.432155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.432155 (E_RNA) where: Base-Base interactions energy: -204.275 where: short stacking energy: -95.856 Base-Backbone interact. energy: -0.296 local terms energy: -73.860733 where: bonds (distance) C4'-P energy: -10.501 bonds (distance) P-C4' energy: -19.350 flat angles C4'-P-C4' energy: -14.125 flat angles P-C4'-P energy: -7.036 tors. eta vs tors. theta energy: -22.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -268.280220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.280220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.280220 (E_RNA) where: Base-Base interactions energy: -187.604 where: short stacking energy: -75.210 Base-Backbone interact. energy: -0.536 local terms energy: -80.139750 where: bonds (distance) C4'-P energy: -14.132 bonds (distance) P-C4' energy: -19.021 flat angles C4'-P-C4' energy: -19.369 flat angles P-C4'-P energy: -11.774 tors. eta vs tors. theta energy: -15.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -254.339938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.339938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.339938 (E_RNA) where: Base-Base interactions energy: -178.098 where: short stacking energy: -74.813 Base-Backbone interact. energy: -0.436 local terms energy: -75.806082 where: bonds (distance) C4'-P energy: -17.138 bonds (distance) P-C4' energy: -13.571 flat angles C4'-P-C4' energy: -16.674 flat angles P-C4'-P energy: -11.372 tors. eta vs tors. theta energy: -17.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -230.283924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.283924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.283924 (E_RNA) where: Base-Base interactions energy: -153.540 where: short stacking energy: -78.774 Base-Backbone interact. energy: -0.654 local terms energy: -76.089549 where: bonds (distance) C4'-P energy: -16.674 bonds (distance) P-C4' energy: -13.557 flat angles C4'-P-C4' energy: -17.264 flat angles P-C4'-P energy: -12.550 tors. eta vs tors. theta energy: -16.045 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: 6 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -215.819186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.819186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.819186 (E_RNA) where: Base-Base interactions energy: -152.691 where: short stacking energy: -65.632 Base-Backbone interact. energy: 1.155 local terms energy: -64.282862 where: bonds (distance) C4'-P energy: -14.918 bonds (distance) P-C4' energy: -12.760 flat angles C4'-P-C4' energy: -14.134 flat angles P-C4'-P energy: -10.275 tors. eta vs tors. theta energy: -12.197 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: 4 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -217.553194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.553194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.553194 (E_RNA) where: Base-Base interactions energy: -150.168 where: short stacking energy: -71.303 Base-Backbone interact. energy: -0.073 local terms energy: -67.311696 where: bonds (distance) C4'-P energy: -10.177 bonds (distance) P-C4' energy: -17.479 flat angles C4'-P-C4' energy: -15.309 flat angles P-C4'-P energy: -3.101 tors. eta vs tors. theta energy: -21.245 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: 2 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -199.230876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.230876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.230876 (E_RNA) where: Base-Base interactions energy: -139.574 where: short stacking energy: -64.288 Base-Backbone interact. energy: -0.034 local terms energy: -59.622260 where: bonds (distance) C4'-P energy: -10.030 bonds (distance) P-C4' energy: -15.830 flat angles C4'-P-C4' energy: -15.360 flat angles P-C4'-P energy: -1.689 tors. eta vs tors. theta energy: -16.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -177.887682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.887682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.887682 (E_RNA) where: Base-Base interactions energy: -127.500 where: short stacking energy: -50.607 Base-Backbone interact. energy: 0.847 local terms energy: -51.234963 where: bonds (distance) C4'-P energy: -8.385 bonds (distance) P-C4' energy: -17.878 flat angles C4'-P-C4' energy: -10.814 flat angles P-C4'-P energy: -6.953 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: 1, replica: 1 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -288.879145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.879145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.879145 (E_RNA) where: Base-Base interactions energy: -202.895 where: short stacking energy: -85.179 Base-Backbone interact. energy: -1.513 local terms energy: -84.470500 where: bonds (distance) C4'-P energy: -17.043 bonds (distance) P-C4' energy: -17.625 flat angles C4'-P-C4' energy: -18.806 flat angles P-C4'-P energy: -10.812 tors. eta vs tors. theta energy: -20.185 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: 3 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -279.947608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.947608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.947608 (E_RNA) where: Base-Base interactions energy: -196.265 where: short stacking energy: -87.291 Base-Backbone interact. energy: -0.372 local terms energy: -83.310729 where: bonds (distance) C4'-P energy: -17.134 bonds (distance) P-C4' energy: -16.115 flat angles C4'-P-C4' energy: -17.670 flat angles P-C4'-P energy: -11.055 tors. eta vs tors. theta energy: -21.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -290.263433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.263433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.263433 (E_RNA) where: Base-Base interactions energy: -207.287 where: short stacking energy: -90.485 Base-Backbone interact. energy: -1.486 local terms energy: -81.490884 where: bonds (distance) C4'-P energy: -15.835 bonds (distance) P-C4' energy: -15.527 flat angles C4'-P-C4' energy: -18.691 flat angles P-C4'-P energy: -7.463 tors. eta vs tors. theta energy: -23.975 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: 325 Temperature: 1.050000 Total energy: -266.803200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.803200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.803200 (E_RNA) where: Base-Base interactions energy: -190.618 where: short stacking energy: -90.910 Base-Backbone interact. energy: -0.382 local terms energy: -75.802900 where: bonds (distance) C4'-P energy: -17.449 bonds (distance) P-C4' energy: -19.144 flat angles C4'-P-C4' energy: -12.776 flat angles P-C4'-P energy: -6.923 tors. eta vs tors. theta energy: -19.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -264.908047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.908047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.908047 (E_RNA) where: Base-Base interactions energy: -184.003 where: short stacking energy: -81.225 Base-Backbone interact. energy: -0.739 local terms energy: -80.166282 where: bonds (distance) C4'-P energy: -15.366 bonds (distance) P-C4' energy: -17.280 flat angles C4'-P-C4' energy: -16.148 flat angles P-C4'-P energy: -13.885 tors. eta vs tors. theta energy: -17.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -220.915909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.915909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.915909 (E_RNA) where: Base-Base interactions energy: -143.872 where: short stacking energy: -70.797 Base-Backbone interact. energy: -0.022 local terms energy: -77.021890 where: bonds (distance) C4'-P energy: -18.569 bonds (distance) P-C4' energy: -15.605 flat angles C4'-P-C4' energy: -16.768 flat angles P-C4'-P energy: -11.704 tors. eta vs tors. theta energy: -14.375 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: 7, replica: 8 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -206.481934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.481934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.481934 (E_RNA) where: Base-Base interactions energy: -137.184 where: short stacking energy: -60.798 Base-Backbone interact. energy: -0.828 local terms energy: -68.470066 where: bonds (distance) C4'-P energy: -18.461 bonds (distance) P-C4' energy: -16.593 flat angles C4'-P-C4' energy: -14.386 flat angles P-C4'-P energy: -6.127 tors. eta vs tors. theta energy: -12.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -210.665713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.665713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.665713 (E_RNA) where: Base-Base interactions energy: -132.024 where: short stacking energy: -68.294 Base-Backbone interact. energy: -0.109 local terms energy: -78.533429 where: bonds (distance) C4'-P energy: -13.929 bonds (distance) P-C4' energy: -17.882 flat angles C4'-P-C4' energy: -15.123 flat angles P-C4'-P energy: -11.980 tors. eta vs tors. theta energy: -19.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -198.379336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.379336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.379336 (E_RNA) where: Base-Base interactions energy: -135.431 where: short stacking energy: -61.819 Base-Backbone interact. energy: 1.203 local terms energy: -64.150784 where: bonds (distance) C4'-P energy: -12.290 bonds (distance) P-C4' energy: -16.259 flat angles C4'-P-C4' energy: -17.835 flat angles P-C4'-P energy: -7.088 tors. eta vs tors. theta energy: -10.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -187.530594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.530594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.530594 (E_RNA) where: Base-Base interactions energy: -119.321 where: short stacking energy: -62.237 Base-Backbone interact. energy: -0.184 local terms energy: -68.025036 where: bonds (distance) C4'-P energy: -10.349 bonds (distance) P-C4' energy: -15.831 flat angles C4'-P-C4' energy: -14.224 flat angles P-C4'-P energy: -14.163 tors. eta vs tors. theta energy: -13.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -289.203446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.203446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.203446 (E_RNA) where: Base-Base interactions energy: -204.310 where: short stacking energy: -86.720 Base-Backbone interact. energy: 0.044 local terms energy: -84.937552 where: bonds (distance) C4'-P energy: -15.991 bonds (distance) P-C4' energy: -19.101 flat angles C4'-P-C4' energy: -17.015 flat angles P-C4'-P energy: -13.611 tors. eta vs tors. theta energy: -19.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -275.244463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.244463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.244463 (E_RNA) where: Base-Base interactions energy: -198.086 where: short stacking energy: -81.306 Base-Backbone interact. energy: -0.575 local terms energy: -76.583268 where: bonds (distance) C4'-P energy: -18.620 bonds (distance) P-C4' energy: -15.773 flat angles C4'-P-C4' energy: -16.544 flat angles P-C4'-P energy: -11.317 tors. eta vs tors. theta energy: -14.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -270.073745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.073745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.073745 (E_RNA) where: Base-Base interactions energy: -194.491 where: short stacking energy: -80.882 Base-Backbone interact. energy: 1.089 local terms energy: -76.671768 where: bonds (distance) C4'-P energy: -14.347 bonds (distance) P-C4' energy: -14.377 flat angles C4'-P-C4' energy: -16.397 flat angles P-C4'-P energy: -10.882 tors. eta vs tors. theta energy: -20.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -271.476136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.476136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.476136 (E_RNA) where: Base-Base interactions energy: -191.957 where: short stacking energy: -83.229 Base-Backbone interact. energy: -1.087 local terms energy: -78.431823 where: bonds (distance) C4'-P energy: -12.327 bonds (distance) P-C4' energy: -18.259 flat angles C4'-P-C4' energy: -18.565 flat angles P-C4'-P energy: -6.674 tors. eta vs tors. theta energy: -22.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -269.105098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.105098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.105098 (E_RNA) where: Base-Base interactions energy: -192.651 where: short stacking energy: -82.986 Base-Backbone interact. energy: -0.902 local terms energy: -75.551370 where: bonds (distance) C4'-P energy: -15.497 bonds (distance) P-C4' energy: -16.565 flat angles C4'-P-C4' energy: -15.265 flat angles P-C4'-P energy: -11.537 tors. eta vs tors. theta energy: -16.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -227.459576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.459576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.459576 (E_RNA) where: Base-Base interactions energy: -156.042 where: short stacking energy: -79.211 Base-Backbone interact. energy: -0.002 local terms energy: -71.415499 where: bonds (distance) C4'-P energy: -14.989 bonds (distance) P-C4' energy: -12.175 flat angles C4'-P-C4' energy: -16.660 flat angles P-C4'-P energy: -7.159 tors. eta vs tors. theta energy: -20.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -229.071893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.071893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.071893 (E_RNA) where: Base-Base interactions energy: -153.219 where: short stacking energy: -78.942 Base-Backbone interact. energy: -0.592 local terms energy: -75.260637 where: bonds (distance) C4'-P energy: -13.570 bonds (distance) P-C4' energy: -13.954 flat angles C4'-P-C4' energy: -15.005 flat angles P-C4'-P energy: -11.009 tors. eta vs tors. theta energy: -21.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -200.512572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.512572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.512572 (E_RNA) where: Base-Base interactions energy: -126.355 where: short stacking energy: -53.090 Base-Backbone interact. energy: -1.216 local terms energy: -72.942010 where: bonds (distance) C4'-P energy: -17.213 bonds (distance) P-C4' energy: -19.485 flat angles C4'-P-C4' energy: -16.455 flat angles P-C4'-P energy: -7.475 tors. eta vs tors. theta energy: -12.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -195.362737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.362737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.362737 (E_RNA) where: Base-Base interactions energy: -133.655 where: short stacking energy: -58.226 Base-Backbone interact. energy: 2.354 local terms energy: -64.061836 where: bonds (distance) C4'-P energy: -14.634 bonds (distance) P-C4' energy: -16.330 flat angles C4'-P-C4' energy: -12.939 flat angles P-C4'-P energy: -9.526 tors. eta vs tors. theta energy: -10.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -190.184173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.184173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.184173 (E_RNA) where: Base-Base interactions energy: -127.924 where: short stacking energy: -60.453 Base-Backbone interact. energy: -0.111 local terms energy: -62.149719 where: bonds (distance) C4'-P energy: -7.789 bonds (distance) P-C4' energy: -16.057 flat angles C4'-P-C4' energy: -16.937 flat angles P-C4'-P energy: -10.419 tors. eta vs tors. theta energy: -10.947 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: 3 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -281.709745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.709745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.709745 (E_RNA) where: Base-Base interactions energy: -196.734 where: short stacking energy: -86.246 Base-Backbone interact. energy: -0.167 local terms energy: -84.809017 where: bonds (distance) C4'-P energy: -12.798 bonds (distance) P-C4' energy: -19.098 flat angles C4'-P-C4' energy: -19.085 flat angles P-C4'-P energy: -11.403 tors. eta vs tors. theta energy: -22.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -276.810923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.810923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.810923 (E_RNA) where: Base-Base interactions energy: -196.783 where: short stacking energy: -77.104 Base-Backbone interact. energy: -1.300 local terms energy: -78.727942 where: bonds (distance) C4'-P energy: -11.106 bonds (distance) P-C4' energy: -19.517 flat angles C4'-P-C4' energy: -17.437 flat angles P-C4'-P energy: -12.946 tors. eta vs tors. theta energy: -17.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -273.618560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.618560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.618560 (E_RNA) where: Base-Base interactions energy: -192.726 where: short stacking energy: -78.621 Base-Backbone interact. energy: -2.356 local terms energy: -78.536685 where: bonds (distance) C4'-P energy: -12.589 bonds (distance) P-C4' energy: -18.932 flat angles C4'-P-C4' energy: -18.201 flat angles P-C4'-P energy: -9.065 tors. eta vs tors. theta energy: -19.750 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: 327 Temperature: 1.050000 Total energy: -282.893986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.893986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.893986 (E_RNA) where: Base-Base interactions energy: -200.821 where: short stacking energy: -89.609 Base-Backbone interact. energy: -1.936 local terms energy: -80.136552 where: bonds (distance) C4'-P energy: -16.036 bonds (distance) P-C4' energy: -12.887 flat angles C4'-P-C4' energy: -17.093 flat angles P-C4'-P energy: -10.128 tors. eta vs tors. theta energy: -23.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -276.099803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.099803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.099803 (E_RNA) where: Base-Base interactions energy: -201.335 where: short stacking energy: -86.561 Base-Backbone interact. energy: -0.380 local terms energy: -74.384498 where: bonds (distance) C4'-P energy: -16.468 bonds (distance) P-C4' energy: -14.907 flat angles C4'-P-C4' energy: -15.804 flat angles P-C4'-P energy: -8.064 tors. eta vs tors. theta energy: -19.142 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: 6 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -231.249141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.249141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.249141 (E_RNA) where: Base-Base interactions energy: -159.163 where: short stacking energy: -70.954 Base-Backbone interact. energy: -0.524 local terms energy: -71.562529 where: bonds (distance) C4'-P energy: -15.196 bonds (distance) P-C4' energy: -15.789 flat angles C4'-P-C4' energy: -16.445 flat angles P-C4'-P energy: -7.131 tors. eta vs tors. theta energy: -17.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -233.043123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.043123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.043123 (E_RNA) where: Base-Base interactions energy: -154.848 where: short stacking energy: -72.982 Base-Backbone interact. energy: -0.129 local terms energy: -78.065748 where: bonds (distance) C4'-P energy: -15.883 bonds (distance) P-C4' energy: -18.404 flat angles C4'-P-C4' energy: -17.745 flat angles P-C4'-P energy: -6.270 tors. eta vs tors. theta energy: -19.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -206.423542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.423542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.423542 (E_RNA) where: Base-Base interactions energy: -141.334 where: short stacking energy: -62.712 Base-Backbone interact. energy: -0.246 local terms energy: -64.843700 where: bonds (distance) C4'-P energy: -15.122 bonds (distance) P-C4' energy: -9.826 flat angles C4'-P-C4' energy: -17.537 flat angles P-C4'-P energy: -7.843 tors. eta vs tors. theta energy: -14.516 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: 8 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -210.222648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.222648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.222648 (E_RNA) where: Base-Base interactions energy: -140.124 where: short stacking energy: -62.963 Base-Backbone interact. energy: -0.443 local terms energy: -69.656323 where: bonds (distance) C4'-P energy: -11.698 bonds (distance) P-C4' energy: -16.498 flat angles C4'-P-C4' energy: -17.274 flat angles P-C4'-P energy: -9.383 tors. eta vs tors. theta energy: -14.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -208.041496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.041496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.041496 (E_RNA) where: Base-Base interactions energy: -132.574 where: short stacking energy: -71.023 Base-Backbone interact. energy: -2.281 local terms energy: -73.185711 where: bonds (distance) C4'-P energy: -15.183 bonds (distance) P-C4' energy: -13.776 flat angles C4'-P-C4' energy: -18.206 flat angles P-C4'-P energy: -8.086 tors. eta vs tors. theta energy: -17.934 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: 1, replica: 1 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -284.900380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.900380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.900380 (E_RNA) where: Base-Base interactions energy: -203.320 where: short stacking energy: -91.506 Base-Backbone interact. energy: -0.795 local terms energy: -80.784462 where: bonds (distance) C4'-P energy: -15.817 bonds (distance) P-C4' energy: -18.806 flat angles C4'-P-C4' energy: -13.748 flat angles P-C4'-P energy: -10.413 tors. eta vs tors. theta energy: -22.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -269.522385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.522385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.522385 (E_RNA) where: Base-Base interactions energy: -182.581 where: short stacking energy: -78.026 Base-Backbone interact. energy: -1.163 local terms energy: -85.778379 where: bonds (distance) C4'-P energy: -17.912 bonds (distance) P-C4' energy: -18.060 flat angles C4'-P-C4' energy: -13.868 flat angles P-C4'-P energy: -14.067 tors. eta vs tors. theta energy: -21.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -282.327591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.327591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.327591 (E_RNA) where: Base-Base interactions energy: -199.524 where: short stacking energy: -89.065 Base-Backbone interact. energy: -1.825 local terms energy: -80.977719 where: bonds (distance) C4'-P energy: -15.966 bonds (distance) P-C4' energy: -16.065 flat angles C4'-P-C4' energy: -16.128 flat angles P-C4'-P energy: -12.538 tors. eta vs tors. theta energy: -20.280 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: 7 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -274.502602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.502602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.502602 (E_RNA) where: Base-Base interactions energy: -197.065 where: short stacking energy: -88.465 Base-Backbone interact. energy: 1.125 local terms energy: -78.562505 where: bonds (distance) C4'-P energy: -15.850 bonds (distance) P-C4' energy: -11.226 flat angles C4'-P-C4' energy: -17.022 flat angles P-C4'-P energy: -14.932 tors. eta vs tors. theta energy: -19.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -257.240120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.240120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.240120 (E_RNA) where: Base-Base interactions energy: -183.885 where: short stacking energy: -78.187 Base-Backbone interact. energy: -1.691 local terms energy: -71.663884 where: bonds (distance) C4'-P energy: -9.317 bonds (distance) P-C4' energy: -14.857 flat angles C4'-P-C4' energy: -17.266 flat angles P-C4'-P energy: -11.775 tors. eta vs tors. theta energy: -18.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -232.419839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.419839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.419839 (E_RNA) where: Base-Base interactions energy: -153.174 where: short stacking energy: -80.247 Base-Backbone interact. energy: -0.012 local terms energy: -79.233731 where: bonds (distance) C4'-P energy: -13.573 bonds (distance) P-C4' energy: -17.762 flat angles C4'-P-C4' energy: -17.918 flat angles P-C4'-P energy: -9.284 tors. eta vs tors. theta energy: -20.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -234.124731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.124731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.124731 (E_RNA) where: Base-Base interactions energy: -161.040 where: short stacking energy: -80.389 Base-Backbone interact. energy: 2.349 local terms energy: -75.433765 where: bonds (distance) C4'-P energy: -14.852 bonds (distance) P-C4' energy: -11.673 flat angles C4'-P-C4' energy: -15.716 flat angles P-C4'-P energy: -10.968 tors. eta vs tors. theta energy: -22.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -217.588706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.588706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.588706 (E_RNA) where: Base-Base interactions energy: -148.949 where: short stacking energy: -75.180 Base-Backbone interact. energy: -0.142 local terms energy: -68.498375 where: bonds (distance) C4'-P energy: -10.138 bonds (distance) P-C4' energy: -14.104 flat angles C4'-P-C4' energy: -15.949 flat angles P-C4'-P energy: -11.659 tors. eta vs tors. theta energy: -16.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -209.688311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.688311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.688311 (E_RNA) where: Base-Base interactions energy: -138.878 where: short stacking energy: -57.232 Base-Backbone interact. energy: -0.436 local terms energy: -70.374464 where: bonds (distance) C4'-P energy: -18.636 bonds (distance) P-C4' energy: -17.601 flat angles C4'-P-C4' energy: -18.671 flat angles P-C4'-P energy: -5.203 tors. eta vs tors. theta energy: -10.264 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: 8 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -218.059202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.059202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.059202 (E_RNA) where: Base-Base interactions energy: -154.997 where: short stacking energy: -75.745 Base-Backbone interact. energy: -0.294 local terms energy: -62.767933 where: bonds (distance) C4'-P energy: -14.106 bonds (distance) P-C4' energy: -13.053 flat angles C4'-P-C4' energy: -12.206 flat angles P-C4'-P energy: -7.584 tors. eta vs tors. theta energy: -15.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -288.287111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.287111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.287111 (E_RNA) where: Base-Base interactions energy: -202.330 where: short stacking energy: -92.911 Base-Backbone interact. energy: -0.527 local terms energy: -85.430701 where: bonds (distance) C4'-P energy: -18.595 bonds (distance) P-C4' energy: -19.217 flat angles C4'-P-C4' energy: -17.353 flat angles P-C4'-P energy: -8.923 tors. eta vs tors. theta energy: -21.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -289.209511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.209511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.209511 (E_RNA) where: Base-Base interactions energy: -203.333 where: short stacking energy: -89.640 Base-Backbone interact. energy: -1.265 local terms energy: -84.611372 where: bonds (distance) C4'-P energy: -15.287 bonds (distance) P-C4' energy: -17.107 flat angles C4'-P-C4' energy: -18.038 flat angles P-C4'-P energy: -10.973 tors. eta vs tors. theta energy: -23.206 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: 3 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -273.350511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.350511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.350511 (E_RNA) where: Base-Base interactions energy: -191.083 where: short stacking energy: -81.130 Base-Backbone interact. energy: -0.133 local terms energy: -82.134432 where: bonds (distance) C4'-P energy: -17.966 bonds (distance) P-C4' energy: -16.624 flat angles C4'-P-C4' energy: -19.450 flat angles P-C4'-P energy: -8.554 tors. eta vs tors. theta energy: -19.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -264.788844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.788844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.788844 (E_RNA) where: Base-Base interactions energy: -187.667 where: short stacking energy: -82.808 Base-Backbone interact. energy: -0.229 local terms energy: -76.892431 where: bonds (distance) C4'-P energy: -16.761 bonds (distance) P-C4' energy: -18.341 flat angles C4'-P-C4' energy: -18.104 flat angles P-C4'-P energy: -9.111 tors. eta vs tors. theta energy: -14.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -272.043784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.043784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.043784 (E_RNA) where: Base-Base interactions energy: -187.580 where: short stacking energy: -83.242 Base-Backbone interact. energy: 0.001 local terms energy: -84.464609 where: bonds (distance) C4'-P energy: -16.724 bonds (distance) P-C4' energy: -17.325 flat angles C4'-P-C4' energy: -16.937 flat angles P-C4'-P energy: -12.743 tors. eta vs tors. theta energy: -20.735 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: 6, replica: 4 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -232.238372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.238372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.238372 (E_RNA) where: Base-Base interactions energy: -153.400 where: short stacking energy: -72.969 Base-Backbone interact. energy: -0.001 local terms energy: -78.836922 where: bonds (distance) C4'-P energy: -18.313 bonds (distance) P-C4' energy: -13.437 flat angles C4'-P-C4' energy: -17.469 flat angles P-C4'-P energy: -13.035 tors. eta vs tors. theta energy: -16.583 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: 6 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -225.013756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.013756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.013756 (E_RNA) where: Base-Base interactions energy: -148.810 where: short stacking energy: -72.465 Base-Backbone interact. energy: -0.057 local terms energy: -76.147326 where: bonds (distance) C4'-P energy: -12.469 bonds (distance) P-C4' energy: -16.620 flat angles C4'-P-C4' energy: -17.549 flat angles P-C4'-P energy: -9.562 tors. eta vs tors. theta energy: -19.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -205.115280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.115280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.115280 (E_RNA) where: Base-Base interactions energy: -133.955 where: short stacking energy: -58.539 Base-Backbone interact. energy: -0.194 local terms energy: -70.966017 where: bonds (distance) C4'-P energy: -13.071 bonds (distance) P-C4' energy: -14.240 flat angles C4'-P-C4' energy: -18.823 flat angles P-C4'-P energy: -13.441 tors. eta vs tors. theta energy: -11.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -211.712067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.712067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.712067 (E_RNA) where: Base-Base interactions energy: -139.114 where: short stacking energy: -66.532 Base-Backbone interact. energy: -0.716 local terms energy: -71.882126 where: bonds (distance) C4'-P energy: -12.455 bonds (distance) P-C4' energy: -20.147 flat angles C4'-P-C4' energy: -16.766 flat angles P-C4'-P energy: -5.159 tors. eta vs tors. theta energy: -17.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -190.607616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.607616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.607616 (E_RNA) where: Base-Base interactions energy: -124.175 where: short stacking energy: -55.681 Base-Backbone interact. energy: -0.528 local terms energy: -65.904406 where: bonds (distance) C4'-P energy: -10.168 bonds (distance) P-C4' energy: -18.024 flat angles C4'-P-C4' energy: -18.115 flat angles P-C4'-P energy: -7.927 tors. eta vs tors. theta energy: -11.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -296.278406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.278406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.278406 (E_RNA) where: Base-Base interactions energy: -204.160 where: short stacking energy: -87.508 Base-Backbone interact. energy: -0.703 local terms energy: -91.416056 where: bonds (distance) C4'-P energy: -19.460 bonds (distance) P-C4' energy: -19.285 flat angles C4'-P-C4' energy: -17.532 flat angles P-C4'-P energy: -9.875 tors. eta vs tors. theta energy: -25.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -285.385391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.385391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.385391 (E_RNA) where: Base-Base interactions energy: -205.094 where: short stacking energy: -91.203 Base-Backbone interact. energy: -0.848 local terms energy: -79.443349 where: bonds (distance) C4'-P energy: -18.007 bonds (distance) P-C4' energy: -13.921 flat angles C4'-P-C4' energy: -18.034 flat angles P-C4'-P energy: -10.297 tors. eta vs tors. theta energy: -19.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -270.201414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.201414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.201414 (E_RNA) where: Base-Base interactions energy: -192.314 where: short stacking energy: -90.688 Base-Backbone interact. energy: -0.270 local terms energy: -77.617933 where: bonds (distance) C4'-P energy: -14.637 bonds (distance) P-C4' energy: -15.934 flat angles C4'-P-C4' energy: -15.760 flat angles P-C4'-P energy: -10.445 tors. eta vs tors. theta energy: -20.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -266.554431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.554431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.554431 (E_RNA) where: Base-Base interactions energy: -188.952 where: short stacking energy: -86.963 Base-Backbone interact. energy: -0.123 local terms energy: -77.478655 where: bonds (distance) C4'-P energy: -14.560 bonds (distance) P-C4' energy: -13.556 flat angles C4'-P-C4' energy: -15.815 flat angles P-C4'-P energy: -12.706 tors. eta vs tors. theta energy: -20.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -227.280538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.280538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.280538 (E_RNA) where: Base-Base interactions energy: -154.391 where: short stacking energy: -72.788 Base-Backbone interact. energy: -0.081 local terms energy: -72.809139 where: bonds (distance) C4'-P energy: -16.678 bonds (distance) P-C4' energy: -16.045 flat angles C4'-P-C4' energy: -16.106 flat angles P-C4'-P energy: -8.595 tors. eta vs tors. theta energy: -15.384 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: 7 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -255.441506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.441506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.441506 (E_RNA) where: Base-Base interactions energy: -182.763 where: short stacking energy: -63.663 Base-Backbone interact. energy: -0.879 local terms energy: -71.798726 where: bonds (distance) C4'-P energy: -15.382 bonds (distance) P-C4' energy: -19.289 flat angles C4'-P-C4' energy: -15.409 flat angles P-C4'-P energy: -8.618 tors. eta vs tors. theta energy: -13.101 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: 9 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -216.214470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.214470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.214470 (E_RNA) where: Base-Base interactions energy: -152.378 where: short stacking energy: -76.405 Base-Backbone interact. energy: -0.033 local terms energy: -63.803326 where: bonds (distance) C4'-P energy: -18.206 bonds (distance) P-C4' energy: -15.625 flat angles C4'-P-C4' energy: -11.351 flat angles P-C4'-P energy: -4.727 tors. eta vs tors. theta energy: -13.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -216.442944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.442944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.442944 (E_RNA) where: Base-Base interactions energy: -147.236 where: short stacking energy: -68.412 Base-Backbone interact. energy: -0.407 local terms energy: -68.799834 where: bonds (distance) C4'-P energy: -13.159 bonds (distance) P-C4' energy: -18.484 flat angles C4'-P-C4' energy: -14.825 flat angles P-C4'-P energy: -6.875 tors. eta vs tors. theta energy: -15.458 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: 9, replica: 2 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -191.341114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.341114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.341114 (E_RNA) where: Base-Base interactions energy: -121.666 where: short stacking energy: -52.806 Base-Backbone interact. energy: 1.585 local terms energy: -71.260508 where: bonds (distance) C4'-P energy: -16.811 bonds (distance) P-C4' energy: -19.686 flat angles C4'-P-C4' energy: -16.057 flat angles P-C4'-P energy: -9.915 tors. eta vs tors. theta energy: -8.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -171.969837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.969837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.969837 (E_RNA) where: Base-Base interactions energy: -106.803 where: short stacking energy: -50.967 Base-Backbone interact. energy: -0.341 local terms energy: -64.826015 where: bonds (distance) C4'-P energy: -17.721 bonds (distance) P-C4' energy: -12.602 flat angles C4'-P-C4' energy: -14.312 flat angles P-C4'-P energy: -8.061 tors. eta vs tors. theta energy: -12.130 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: 5 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -296.546517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.546517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.546517 (E_RNA) where: Base-Base interactions energy: -213.917 where: short stacking energy: -87.094 Base-Backbone interact. energy: -0.245 local terms energy: -82.384399 where: bonds (distance) C4'-P energy: -17.079 bonds (distance) P-C4' energy: -15.362 flat angles C4'-P-C4' energy: -19.497 flat angles P-C4'-P energy: -8.944 tors. eta vs tors. theta energy: -21.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -275.498468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.498468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.498468 (E_RNA) where: Base-Base interactions energy: -190.831 where: short stacking energy: -87.942 Base-Backbone interact. energy: 0.310 local terms energy: -84.977643 where: bonds (distance) C4'-P energy: -17.821 bonds (distance) P-C4' energy: -18.122 flat angles C4'-P-C4' energy: -17.741 flat angles P-C4'-P energy: -8.673 tors. eta vs tors. theta energy: -22.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -280.826080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.826080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.826080 (E_RNA) where: Base-Base interactions energy: -194.784 where: short stacking energy: -81.520 Base-Backbone interact. energy: -1.195 local terms energy: -84.848026 where: bonds (distance) C4'-P energy: -16.281 bonds (distance) P-C4' energy: -18.685 flat angles C4'-P-C4' energy: -18.098 flat angles P-C4'-P energy: -12.625 tors. eta vs tors. theta energy: -19.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -273.896728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.896728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.896728 (E_RNA) where: Base-Base interactions energy: -201.206 where: short stacking energy: -87.457 Base-Backbone interact. energy: -0.508 local terms energy: -72.182517 where: bonds (distance) C4'-P energy: -13.531 bonds (distance) P-C4' energy: -15.787 flat angles C4'-P-C4' energy: -13.787 flat angles P-C4'-P energy: -10.823 tors. eta vs tors. theta energy: -18.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -247.799308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.799308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.799308 (E_RNA) where: Base-Base interactions energy: -166.363 where: short stacking energy: -92.235 Base-Backbone interact. energy: -0.607 local terms energy: -80.828690 where: bonds (distance) C4'-P energy: -15.044 bonds (distance) P-C4' energy: -16.252 flat angles C4'-P-C4' energy: -14.709 flat angles P-C4'-P energy: -11.346 tors. eta vs tors. theta energy: -23.477 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: 7 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -264.977849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.977849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.977849 (E_RNA) where: Base-Base interactions energy: -184.749 where: short stacking energy: -81.007 Base-Backbone interact. energy: -3.155 local terms energy: -77.073549 where: bonds (distance) C4'-P energy: -17.440 bonds (distance) P-C4' energy: -15.166 flat angles C4'-P-C4' energy: -17.823 flat angles P-C4'-P energy: -7.194 tors. eta vs tors. theta energy: -19.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -222.589653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.589653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.589653 (E_RNA) where: Base-Base interactions energy: -153.209 where: short stacking energy: -74.054 Base-Backbone interact. energy: -0.007 local terms energy: -69.373823 where: bonds (distance) C4'-P energy: -14.078 bonds (distance) P-C4' energy: -16.199 flat angles C4'-P-C4' energy: -17.866 flat angles P-C4'-P energy: -5.511 tors. eta vs tors. theta energy: -15.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -210.229895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.229895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.229895 (E_RNA) where: Base-Base interactions energy: -140.556 where: short stacking energy: -64.160 Base-Backbone interact. energy: -0.514 local terms energy: -69.159880 where: bonds (distance) C4'-P energy: -13.849 bonds (distance) P-C4' energy: -14.163 flat angles C4'-P-C4' energy: -11.629 flat angles P-C4'-P energy: -10.132 tors. eta vs tors. theta energy: -19.387 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: 9, replica: 6 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -202.078037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.078037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.078037 (E_RNA) where: Base-Base interactions energy: -135.448 where: short stacking energy: -63.050 Base-Backbone interact. energy: -0.117 local terms energy: -66.512495 where: bonds (distance) C4'-P energy: -10.224 bonds (distance) P-C4' energy: -18.368 flat angles C4'-P-C4' energy: -18.752 flat angles P-C4'-P energy: -6.856 tors. eta vs tors. theta energy: -12.313 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: 8 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -198.693010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.693010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.693010 (E_RNA) where: Base-Base interactions energy: -129.084 where: short stacking energy: -55.599 Base-Backbone interact. energy: -1.234 local terms energy: -68.374913 where: bonds (distance) C4'-P energy: -13.133 bonds (distance) P-C4' energy: -20.609 flat angles C4'-P-C4' energy: -16.450 flat angles P-C4'-P energy: -7.832 tors. eta vs tors. theta energy: -10.350 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: 5 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -293.591697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.591697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.591697 (E_RNA) where: Base-Base interactions energy: -209.150 where: short stacking energy: -84.762 Base-Backbone interact. energy: -1.994 local terms energy: -82.447578 where: bonds (distance) C4'-P energy: -16.832 bonds (distance) P-C4' energy: -19.500 flat angles C4'-P-C4' energy: -16.013 flat angles P-C4'-P energy: -7.817 tors. eta vs tors. theta energy: -22.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -279.050334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.050334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.050334 (E_RNA) where: Base-Base interactions energy: -198.069 where: short stacking energy: -87.363 Base-Backbone interact. energy: -0.344 local terms energy: -80.637526 where: bonds (distance) C4'-P energy: -14.843 bonds (distance) P-C4' energy: -15.375 flat angles C4'-P-C4' energy: -18.147 flat angles P-C4'-P energy: -11.252 tors. eta vs tors. theta energy: -21.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -278.971344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.971344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.971344 (E_RNA) where: Base-Base interactions energy: -199.563 where: short stacking energy: -83.748 Base-Backbone interact. energy: -0.936 local terms energy: -78.472371 where: bonds (distance) C4'-P energy: -13.773 bonds (distance) P-C4' energy: -14.972 flat angles C4'-P-C4' energy: -18.873 flat angles P-C4'-P energy: -10.922 tors. eta vs tors. theta energy: -19.932 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: 3 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -265.064750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.064750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.064750 (E_RNA) where: Base-Base interactions energy: -190.740 where: short stacking energy: -79.105 Base-Backbone interact. energy: 1.168 local terms energy: -75.492838 where: bonds (distance) C4'-P energy: -17.841 bonds (distance) P-C4' energy: -16.918 flat angles C4'-P-C4' energy: -15.307 flat angles P-C4'-P energy: -9.621 tors. eta vs tors. theta energy: -15.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -263.723479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.723479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.723479 (E_RNA) where: Base-Base interactions energy: -175.706 where: short stacking energy: -73.797 Base-Backbone interact. energy: -1.416 local terms energy: -86.601700 where: bonds (distance) C4'-P energy: -19.850 bonds (distance) P-C4' energy: -16.583 flat angles C4'-P-C4' energy: -19.641 flat angles P-C4'-P energy: -8.033 tors. eta vs tors. theta energy: -22.495 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: 332 Temperature: 1.150000 Total energy: -236.550291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.550291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.550291 (E_RNA) where: Base-Base interactions energy: -157.643 where: short stacking energy: -75.117 Base-Backbone interact. energy: -0.038 local terms energy: -78.869611 where: bonds (distance) C4'-P energy: -17.043 bonds (distance) P-C4' energy: -11.141 flat angles C4'-P-C4' energy: -18.737 flat angles P-C4'-P energy: -12.914 tors. eta vs tors. theta energy: -19.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -218.973455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.973455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.973455 (E_RNA) where: Base-Base interactions energy: -136.183 where: short stacking energy: -66.098 Base-Backbone interact. energy: -0.453 local terms energy: -82.336979 where: bonds (distance) C4'-P energy: -19.526 bonds (distance) P-C4' energy: -18.423 flat angles C4'-P-C4' energy: -15.832 flat angles P-C4'-P energy: -8.816 tors. eta vs tors. theta energy: -19.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -197.884817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.884817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.884817 (E_RNA) where: Base-Base interactions energy: -134.053 where: short stacking energy: -59.226 Base-Backbone interact. energy: -0.327 local terms energy: -63.504969 where: bonds (distance) C4'-P energy: -15.795 bonds (distance) P-C4' energy: -13.362 flat angles C4'-P-C4' energy: -15.380 flat angles P-C4'-P energy: -4.295 tors. eta vs tors. theta energy: -14.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -192.676817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.676817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.676817 (E_RNA) where: Base-Base interactions energy: -132.298 where: short stacking energy: -57.064 Base-Backbone interact. energy: -0.022 local terms energy: -60.357090 where: bonds (distance) C4'-P energy: -14.294 bonds (distance) P-C4' energy: -18.778 flat angles C4'-P-C4' energy: -8.875 flat angles P-C4'-P energy: -7.732 tors. eta vs tors. theta energy: -10.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -194.408451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.408451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.408451 (E_RNA) where: Base-Base interactions energy: -141.701 where: short stacking energy: -63.566 Base-Backbone interact. energy: 0.026 local terms energy: -52.733344 where: bonds (distance) C4'-P energy: -12.575 bonds (distance) P-C4' energy: -14.506 flat angles C4'-P-C4' energy: -12.708 flat angles P-C4'-P energy: 1.249 tors. eta vs tors. theta energy: -14.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -291.534035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.534035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.534035 (E_RNA) where: Base-Base interactions energy: -201.517 where: short stacking energy: -94.100 Base-Backbone interact. energy: -1.598 local terms energy: -88.419248 where: bonds (distance) C4'-P energy: -17.753 bonds (distance) P-C4' energy: -18.580 flat angles C4'-P-C4' energy: -18.584 flat angles P-C4'-P energy: -11.526 tors. eta vs tors. theta energy: -21.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -285.202858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.202858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.202858 (E_RNA) where: Base-Base interactions energy: -206.236 where: short stacking energy: -94.325 Base-Backbone interact. energy: 0.988 local terms energy: -79.955276 where: bonds (distance) C4'-P energy: -12.699 bonds (distance) P-C4' energy: -19.806 flat angles C4'-P-C4' energy: -16.456 flat angles P-C4'-P energy: -11.510 tors. eta vs tors. theta energy: -19.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -278.332708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.332708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.332708 (E_RNA) where: Base-Base interactions energy: -194.360 where: short stacking energy: -84.026 Base-Backbone interact. energy: -1.452 local terms energy: -82.520794 where: bonds (distance) C4'-P energy: -19.601 bonds (distance) P-C4' energy: -16.401 flat angles C4'-P-C4' energy: -16.165 flat angles P-C4'-P energy: -9.499 tors. eta vs tors. theta energy: -20.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -260.092471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.092471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.092471 (E_RNA) where: Base-Base interactions energy: -185.426 where: short stacking energy: -82.981 Base-Backbone interact. energy: -0.483 local terms energy: -74.182738 where: bonds (distance) C4'-P energy: -16.333 bonds (distance) P-C4' energy: -12.413 flat angles C4'-P-C4' energy: -16.538 flat angles P-C4'-P energy: -8.850 tors. eta vs tors. theta energy: -20.048 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: 3 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -268.080546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.080546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.080546 (E_RNA) where: Base-Base interactions energy: -190.552 where: short stacking energy: -85.084 Base-Backbone interact. energy: -0.020 local terms energy: -77.508674 where: bonds (distance) C4'-P energy: -14.865 bonds (distance) P-C4' energy: -12.383 flat angles C4'-P-C4' energy: -21.087 flat angles P-C4'-P energy: -10.861 tors. eta vs tors. theta energy: -18.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -218.282518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.282518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.282518 (E_RNA) where: Base-Base interactions energy: -144.421 where: short stacking energy: -62.569 Base-Backbone interact. energy: -0.032 local terms energy: -73.828945 where: bonds (distance) C4'-P energy: -16.412 bonds (distance) P-C4' energy: -17.977 flat angles C4'-P-C4' energy: -14.067 flat angles P-C4'-P energy: -11.044 tors. eta vs tors. theta energy: -14.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -215.296878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.296878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.296878 (E_RNA) where: Base-Base interactions energy: -142.714 where: short stacking energy: -65.821 Base-Backbone interact. energy: -0.768 local terms energy: -71.814819 where: bonds (distance) C4'-P energy: -13.769 bonds (distance) P-C4' energy: -18.101 flat angles C4'-P-C4' energy: -17.353 flat angles P-C4'-P energy: -6.699 tors. eta vs tors. theta energy: -15.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -197.582703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.582703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.582703 (E_RNA) where: Base-Base interactions energy: -135.535 where: short stacking energy: -59.581 Base-Backbone interact. energy: -0.259 local terms energy: -61.788775 where: bonds (distance) C4'-P energy: -8.477 bonds (distance) P-C4' energy: -15.592 flat angles C4'-P-C4' energy: -17.187 flat angles P-C4'-P energy: -7.864 tors. eta vs tors. theta energy: -12.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -196.170327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.170327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.170327 (E_RNA) where: Base-Base interactions energy: -135.533 where: short stacking energy: -61.060 Base-Backbone interact. energy: -0.182 local terms energy: -60.455760 where: bonds (distance) C4'-P energy: -12.686 bonds (distance) P-C4' energy: -14.756 flat angles C4'-P-C4' energy: -9.243 flat angles P-C4'-P energy: -8.990 tors. eta vs tors. theta energy: -14.780 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: 8 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -197.397055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.397055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.397055 (E_RNA) where: Base-Base interactions energy: -130.362 where: short stacking energy: -55.424 Base-Backbone interact. energy: -0.559 local terms energy: -66.475505 where: bonds (distance) C4'-P energy: -12.626 bonds (distance) P-C4' energy: -11.733 flat angles C4'-P-C4' energy: -19.142 flat angles P-C4'-P energy: -9.565 tors. eta vs tors. theta energy: -13.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -282.832549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.832549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.832549 (E_RNA) where: Base-Base interactions energy: -201.808 where: short stacking energy: -76.375 Base-Backbone interact. energy: 0.437 local terms energy: -81.460856 where: bonds (distance) C4'-P energy: -18.065 bonds (distance) P-C4' energy: -18.569 flat angles C4'-P-C4' energy: -16.816 flat angles P-C4'-P energy: -11.046 tors. eta vs tors. theta energy: -16.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -295.789383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.789383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.789383 (E_RNA) where: Base-Base interactions energy: -203.519 where: short stacking energy: -89.451 Base-Backbone interact. energy: -1.188 local terms energy: -91.082205 where: bonds (distance) C4'-P energy: -18.847 bonds (distance) P-C4' energy: -16.294 flat angles C4'-P-C4' energy: -18.249 flat angles P-C4'-P energy: -13.560 tors. eta vs tors. theta energy: -24.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -265.700803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.700803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.700803 (E_RNA) where: Base-Base interactions energy: -187.317 where: short stacking energy: -78.183 Base-Backbone interact. energy: -0.821 local terms energy: -77.562578 where: bonds (distance) C4'-P energy: -11.414 bonds (distance) P-C4' energy: -17.195 flat angles C4'-P-C4' energy: -20.534 flat angles P-C4'-P energy: -10.737 tors. eta vs tors. theta energy: -17.684 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: 10 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -269.735991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.735991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.735991 (E_RNA) where: Base-Base interactions energy: -191.690 where: short stacking energy: -84.959 Base-Backbone interact. energy: -2.088 local terms energy: -75.957640 where: bonds (distance) C4'-P energy: -13.607 bonds (distance) P-C4' energy: -16.645 flat angles C4'-P-C4' energy: -14.933 flat angles P-C4'-P energy: -11.712 tors. eta vs tors. theta energy: -19.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -258.401278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.401278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.401278 (E_RNA) where: Base-Base interactions energy: -183.355 where: short stacking energy: -81.364 Base-Backbone interact. energy: -0.454 local terms energy: -74.592107 where: bonds (distance) C4'-P energy: -14.531 bonds (distance) P-C4' energy: -13.614 flat angles C4'-P-C4' energy: -14.475 flat angles P-C4'-P energy: -13.040 tors. eta vs tors. theta energy: -18.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -217.369062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.369062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.369062 (E_RNA) where: Base-Base interactions energy: -150.176 where: short stacking energy: -72.253 Base-Backbone interact. energy: -0.291 local terms energy: -66.901923 where: bonds (distance) C4'-P energy: -14.985 bonds (distance) P-C4' energy: -12.613 flat angles C4'-P-C4' energy: -15.855 flat angles P-C4'-P energy: -7.893 tors. eta vs tors. theta energy: -15.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -228.835063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.835063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.835063 (E_RNA) where: Base-Base interactions energy: -156.902 where: short stacking energy: -76.808 Base-Backbone interact. energy: -0.298 local terms energy: -71.635546 where: bonds (distance) C4'-P energy: -15.837 bonds (distance) P-C4' energy: -17.838 flat angles C4'-P-C4' energy: -13.065 flat angles P-C4'-P energy: -5.548 tors. eta vs tors. theta energy: -19.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -204.275125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.275125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.275125 (E_RNA) where: Base-Base interactions energy: -145.719 where: short stacking energy: -68.890 Base-Backbone interact. energy: -0.743 local terms energy: -57.812846 where: bonds (distance) C4'-P energy: -12.295 bonds (distance) P-C4' energy: -14.033 flat angles C4'-P-C4' energy: -12.736 flat angles P-C4'-P energy: -6.457 tors. eta vs tors. theta energy: -12.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -248.603261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.603261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.603261 (E_RNA) where: Base-Base interactions energy: -183.921 where: short stacking energy: -79.857 Base-Backbone interact. energy: -0.853 local terms energy: -63.828510 where: bonds (distance) C4'-P energy: -10.785 bonds (distance) P-C4' energy: -15.105 flat angles C4'-P-C4' energy: -17.413 flat angles P-C4'-P energy: -4.197 tors. eta vs tors. theta energy: -16.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -215.225994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.225994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.225994 (E_RNA) where: Base-Base interactions energy: -143.693 where: short stacking energy: -72.791 Base-Backbone interact. energy: -0.342 local terms energy: -71.191225 where: bonds (distance) C4'-P energy: -13.859 bonds (distance) P-C4' energy: -17.992 flat angles C4'-P-C4' energy: -13.469 flat angles P-C4'-P energy: -8.876 tors. eta vs tors. theta energy: -16.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -281.558347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.558347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.558347 (E_RNA) where: Base-Base interactions energy: -197.788 where: short stacking energy: -87.400 Base-Backbone interact. energy: -0.441 local terms energy: -83.329604 where: bonds (distance) C4'-P energy: -16.891 bonds (distance) P-C4' energy: -15.838 flat angles C4'-P-C4' energy: -18.614 flat angles P-C4'-P energy: -11.374 tors. eta vs tors. theta energy: -20.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -276.455174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.455174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.455174 (E_RNA) where: Base-Base interactions energy: -194.547 where: short stacking energy: -91.684 Base-Backbone interact. energy: -1.085 local terms energy: -80.823476 where: bonds (distance) C4'-P energy: -16.885 bonds (distance) P-C4' energy: -15.092 flat angles C4'-P-C4' energy: -15.181 flat angles P-C4'-P energy: -12.258 tors. eta vs tors. theta energy: -21.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -272.059315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.059315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.059315 (E_RNA) where: Base-Base interactions energy: -195.699 where: short stacking energy: -86.910 Base-Backbone interact. energy: -0.034 local terms energy: -76.326730 where: bonds (distance) C4'-P energy: -15.668 bonds (distance) P-C4' energy: -18.358 flat angles C4'-P-C4' energy: -16.827 flat angles P-C4'-P energy: -8.539 tors. eta vs tors. theta energy: -16.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -266.333567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.333567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.333567 (E_RNA) where: Base-Base interactions energy: -187.448 where: short stacking energy: -84.461 Base-Backbone interact. energy: -0.471 local terms energy: -78.414411 where: bonds (distance) C4'-P energy: -12.801 bonds (distance) P-C4' energy: -15.745 flat angles C4'-P-C4' energy: -18.098 flat angles P-C4'-P energy: -13.843 tors. eta vs tors. theta energy: -17.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -269.256368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.256368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.256368 (E_RNA) where: Base-Base interactions energy: -191.434 where: short stacking energy: -83.662 Base-Backbone interact. energy: -0.711 local terms energy: -77.110862 where: bonds (distance) C4'-P energy: -17.087 bonds (distance) P-C4' energy: -17.067 flat angles C4'-P-C4' energy: -17.202 flat angles P-C4'-P energy: -8.533 tors. eta vs tors. theta energy: -17.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -222.040452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.040452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.040452 (E_RNA) where: Base-Base interactions energy: -144.561 where: short stacking energy: -68.493 Base-Backbone interact. energy: -0.297 local terms energy: -77.182038 where: bonds (distance) C4'-P energy: -15.291 bonds (distance) P-C4' energy: -16.414 flat angles C4'-P-C4' energy: -16.494 flat angles P-C4'-P energy: -11.388 tors. eta vs tors. theta energy: -17.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -224.912706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.912706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.912706 (E_RNA) where: Base-Base interactions energy: -155.087 where: short stacking energy: -78.451 Base-Backbone interact. energy: -0.003 local terms energy: -69.822012 where: bonds (distance) C4'-P energy: -15.624 bonds (distance) P-C4' energy: -9.732 flat angles C4'-P-C4' energy: -15.205 flat angles P-C4'-P energy: -6.993 tors. eta vs tors. theta energy: -22.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -240.648863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.648863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.648863 (E_RNA) where: Base-Base interactions energy: -171.655 where: short stacking energy: -79.545 Base-Backbone interact. energy: -0.463 local terms energy: -68.530666 where: bonds (distance) C4'-P energy: -15.548 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -15.460 flat angles P-C4'-P energy: -11.197 tors. eta vs tors. theta energy: -19.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -209.306421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.306421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.306421 (E_RNA) where: Base-Base interactions energy: -144.018 where: short stacking energy: -64.448 Base-Backbone interact. energy: -0.128 local terms energy: -65.160010 where: bonds (distance) C4'-P energy: -12.074 bonds (distance) P-C4' energy: -15.384 flat angles C4'-P-C4' energy: -17.056 flat angles P-C4'-P energy: -11.684 tors. eta vs tors. theta energy: -8.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -195.563560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.563560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.563560 (E_RNA) where: Base-Base interactions energy: -133.427 where: short stacking energy: -55.786 Base-Backbone interact. energy: -0.864 local terms energy: -61.271894 where: bonds (distance) C4'-P energy: -14.715 bonds (distance) P-C4' energy: -9.931 flat angles C4'-P-C4' energy: -14.988 flat angles P-C4'-P energy: -10.730 tors. eta vs tors. theta energy: -10.907 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: 1 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -275.589371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.589371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.589371 (E_RNA) where: Base-Base interactions energy: -194.892 where: short stacking energy: -84.337 Base-Backbone interact. energy: -0.901 local terms energy: -79.796696 where: bonds (distance) C4'-P energy: -14.542 bonds (distance) P-C4' energy: -17.604 flat angles C4'-P-C4' energy: -18.805 flat angles P-C4'-P energy: -10.914 tors. eta vs tors. theta energy: -17.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -287.464184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.464184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.464184 (E_RNA) where: Base-Base interactions energy: -204.034 where: short stacking energy: -90.257 Base-Backbone interact. energy: -0.887 local terms energy: -82.543749 where: bonds (distance) C4'-P energy: -16.644 bonds (distance) P-C4' energy: -14.427 flat angles C4'-P-C4' energy: -17.045 flat angles P-C4'-P energy: -12.403 tors. eta vs tors. theta energy: -22.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -278.621385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.621385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.621385 (E_RNA) where: Base-Base interactions energy: -202.741 where: short stacking energy: -84.205 Base-Backbone interact. energy: -0.778 local terms energy: -75.102881 where: bonds (distance) C4'-P energy: -15.411 bonds (distance) P-C4' energy: -12.362 flat angles C4'-P-C4' energy: -16.939 flat angles P-C4'-P energy: -10.479 tors. eta vs tors. theta energy: -19.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -265.690294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.690294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.690294 (E_RNA) where: Base-Base interactions energy: -186.089 where: short stacking energy: -91.315 Base-Backbone interact. energy: -1.390 local terms energy: -78.211475 where: bonds (distance) C4'-P energy: -17.506 bonds (distance) P-C4' energy: -15.001 flat angles C4'-P-C4' energy: -12.927 flat angles P-C4'-P energy: -10.366 tors. eta vs tors. theta energy: -22.411 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: 336 Temperature: 1.100000 Total energy: -230.556797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.556797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.556797 (E_RNA) where: Base-Base interactions energy: -156.944 where: short stacking energy: -77.695 Base-Backbone interact. energy: -0.679 local terms energy: -72.933221 where: bonds (distance) C4'-P energy: -13.499 bonds (distance) P-C4' energy: -19.934 flat angles C4'-P-C4' energy: -15.888 flat angles P-C4'-P energy: -5.140 tors. eta vs tors. theta energy: -18.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -252.658172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.658172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.658172 (E_RNA) where: Base-Base interactions energy: -182.616 where: short stacking energy: -77.039 Base-Backbone interact. energy: 0.352 local terms energy: -70.394052 where: bonds (distance) C4'-P energy: -12.385 bonds (distance) P-C4' energy: -19.481 flat angles C4'-P-C4' energy: -13.650 flat angles P-C4'-P energy: -3.993 tors. eta vs tors. theta energy: -20.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -230.609261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.609261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.609261 (E_RNA) where: Base-Base interactions energy: -153.417 where: short stacking energy: -79.160 Base-Backbone interact. energy: -0.019 local terms energy: -77.172947 where: bonds (distance) C4'-P energy: -17.084 bonds (distance) P-C4' energy: -13.060 flat angles C4'-P-C4' energy: -20.513 flat angles P-C4'-P energy: -7.387 tors. eta vs tors. theta energy: -19.130 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: 8, replica: 4 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -204.775654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.775654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.775654 (E_RNA) where: Base-Base interactions energy: -145.944 where: short stacking energy: -70.915 Base-Backbone interact. energy: -0.041 local terms energy: -58.790925 where: bonds (distance) C4'-P energy: -4.445 bonds (distance) P-C4' energy: -18.253 flat angles C4'-P-C4' energy: -14.771 flat angles P-C4'-P energy: -3.927 tors. eta vs tors. theta energy: -17.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -200.642301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.642301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.642301 (E_RNA) where: Base-Base interactions energy: -127.114 where: short stacking energy: -60.999 Base-Backbone interact. energy: -0.163 local terms energy: -73.365682 where: bonds (distance) C4'-P energy: -15.079 bonds (distance) P-C4' energy: -17.188 flat angles C4'-P-C4' energy: -16.736 flat angles P-C4'-P energy: -10.666 tors. eta vs tors. theta energy: -13.698 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: 10, replica: 9 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -150.670824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.670824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.670824 (E_RNA) where: Base-Base interactions energy: -95.154 where: short stacking energy: -44.700 Base-Backbone interact. energy: -0.244 local terms energy: -55.272571 where: bonds (distance) C4'-P energy: -7.849 bonds (distance) P-C4' energy: -15.504 flat angles C4'-P-C4' energy: -13.270 flat angles P-C4'-P energy: -8.547 tors. eta vs tors. theta energy: -10.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -274.851519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.851519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.851519 (E_RNA) where: Base-Base interactions energy: -193.815 where: short stacking energy: -87.762 Base-Backbone interact. energy: -1.024 local terms energy: -80.012889 where: bonds (distance) C4'-P energy: -18.579 bonds (distance) P-C4' energy: -17.144 flat angles C4'-P-C4' energy: -16.733 flat angles P-C4'-P energy: -11.269 tors. eta vs tors. theta energy: -16.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -289.962203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.962203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.962203 (E_RNA) where: Base-Base interactions energy: -205.809 where: short stacking energy: -91.789 Base-Backbone interact. energy: -0.908 local terms energy: -83.245290 where: bonds (distance) C4'-P energy: -16.612 bonds (distance) P-C4' energy: -15.497 flat angles C4'-P-C4' energy: -18.149 flat angles P-C4'-P energy: -10.589 tors. eta vs tors. theta energy: -22.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -264.411245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.411245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.411245 (E_RNA) where: Base-Base interactions energy: -180.439 where: short stacking energy: -73.967 Base-Backbone interact. energy: -0.811 local terms energy: -83.161805 where: bonds (distance) C4'-P energy: -18.934 bonds (distance) P-C4' energy: -17.825 flat angles C4'-P-C4' energy: -17.112 flat angles P-C4'-P energy: -7.994 tors. eta vs tors. theta energy: -21.297 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: 2 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -233.586986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.586986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.586986 (E_RNA) where: Base-Base interactions energy: -164.752 where: short stacking energy: -75.273 Base-Backbone interact. energy: -0.709 local terms energy: -68.126139 where: bonds (distance) C4'-P energy: -12.124 bonds (distance) P-C4' energy: -14.297 flat angles C4'-P-C4' energy: -15.807 flat angles P-C4'-P energy: -9.361 tors. eta vs tors. theta energy: -16.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -264.958845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.958845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.958845 (E_RNA) where: Base-Base interactions energy: -188.600 where: short stacking energy: -75.214 Base-Backbone interact. energy: -1.942 local terms energy: -74.416770 where: bonds (distance) C4'-P energy: -14.202 bonds (distance) P-C4' energy: -11.722 flat angles C4'-P-C4' energy: -20.831 flat angles P-C4'-P energy: -9.015 tors. eta vs tors. theta energy: -18.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -235.473095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.473095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.473095 (E_RNA) where: Base-Base interactions energy: -158.807 where: short stacking energy: -79.600 Base-Backbone interact. energy: 1.470 local terms energy: -78.136391 where: bonds (distance) C4'-P energy: -14.761 bonds (distance) P-C4' energy: -17.258 flat angles C4'-P-C4' energy: -19.861 flat angles P-C4'-P energy: -9.112 tors. eta vs tors. theta energy: -17.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -238.094938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.094938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.094938 (E_RNA) where: Base-Base interactions energy: -164.989 where: short stacking energy: -66.608 Base-Backbone interact. energy: -1.170 local terms energy: -71.936293 where: bonds (distance) C4'-P energy: -13.193 bonds (distance) P-C4' energy: -15.724 flat angles C4'-P-C4' energy: -16.252 flat angles P-C4'-P energy: -10.807 tors. eta vs tors. theta energy: -15.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -216.521041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.521041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.521041 (E_RNA) where: Base-Base interactions energy: -149.891 where: short stacking energy: -72.520 Base-Backbone interact. energy: 0.200 local terms energy: -66.829420 where: bonds (distance) C4'-P energy: -12.083 bonds (distance) P-C4' energy: -13.141 flat angles C4'-P-C4' energy: -12.938 flat angles P-C4'-P energy: -11.646 tors. eta vs tors. theta energy: -17.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -195.220458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.220458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.220458 (E_RNA) where: Base-Base interactions energy: -128.824 where: short stacking energy: -58.833 Base-Backbone interact. energy: -0.472 local terms energy: -65.924184 where: bonds (distance) C4'-P energy: -13.092 bonds (distance) P-C4' energy: -15.899 flat angles C4'-P-C4' energy: -17.473 flat angles P-C4'-P energy: -6.313 tors. eta vs tors. theta energy: -13.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -211.681427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.681427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.681427 (E_RNA) where: Base-Base interactions energy: -140.830 where: short stacking energy: -53.019 Base-Backbone interact. energy: -0.675 local terms energy: -70.176413 where: bonds (distance) C4'-P energy: -18.010 bonds (distance) P-C4' energy: -14.656 flat angles C4'-P-C4' energy: -19.041 flat angles P-C4'-P energy: -7.560 tors. eta vs tors. theta energy: -10.909 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: 1 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -273.379991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.379991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.379991 (E_RNA) where: Base-Base interactions energy: -196.733 where: short stacking energy: -88.456 Base-Backbone interact. energy: -0.169 local terms energy: -76.478738 where: bonds (distance) C4'-P energy: -13.374 bonds (distance) P-C4' energy: -16.552 flat angles C4'-P-C4' energy: -17.780 flat angles P-C4'-P energy: -10.256 tors. eta vs tors. theta energy: -18.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -279.036474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.036474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.036474 (E_RNA) where: Base-Base interactions energy: -195.141 where: short stacking energy: -88.526 Base-Backbone interact. energy: -0.596 local terms energy: -83.298844 where: bonds (distance) C4'-P energy: -16.657 bonds (distance) P-C4' energy: -18.658 flat angles C4'-P-C4' energy: -16.406 flat angles P-C4'-P energy: -11.228 tors. eta vs tors. theta energy: -20.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -276.890575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.890575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.890575 (E_RNA) where: Base-Base interactions energy: -201.393 where: short stacking energy: -89.449 Base-Backbone interact. energy: -0.059 local terms energy: -75.439256 where: bonds (distance) C4'-P energy: -12.359 bonds (distance) P-C4' energy: -14.116 flat angles C4'-P-C4' energy: -18.609 flat angles P-C4'-P energy: -10.131 tors. eta vs tors. theta energy: -20.224 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: 338 Temperature: 1.050000 Total energy: -232.572350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.572350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.572350 (E_RNA) where: Base-Base interactions energy: -157.124 where: short stacking energy: -82.269 Base-Backbone interact. energy: -0.452 local terms energy: -74.996285 where: bonds (distance) C4'-P energy: -14.018 bonds (distance) P-C4' energy: -18.333 flat angles C4'-P-C4' energy: -18.782 flat angles P-C4'-P energy: -7.569 tors. eta vs tors. theta energy: -16.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -244.964731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.964731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.964731 (E_RNA) where: Base-Base interactions energy: -167.346 where: short stacking energy: -89.814 Base-Backbone interact. energy: -0.619 local terms energy: -76.999667 where: bonds (distance) C4'-P energy: -15.797 bonds (distance) P-C4' energy: -17.703 flat angles C4'-P-C4' energy: -13.048 flat angles P-C4'-P energy: -9.051 tors. eta vs tors. theta energy: -21.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -243.623002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.623002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.623002 (E_RNA) where: Base-Base interactions energy: -173.462 where: short stacking energy: -74.909 Base-Backbone interact. energy: -0.408 local terms energy: -69.753189 where: bonds (distance) C4'-P energy: -13.747 bonds (distance) P-C4' energy: -12.006 flat angles C4'-P-C4' energy: -16.923 flat angles P-C4'-P energy: -10.719 tors. eta vs tors. theta energy: -16.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -240.076019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.076019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.076019 (E_RNA) where: Base-Base interactions energy: -172.936 where: short stacking energy: -83.984 Base-Backbone interact. energy: -0.086 local terms energy: -67.054508 where: bonds (distance) C4'-P energy: -12.716 bonds (distance) P-C4' energy: -15.094 flat angles C4'-P-C4' energy: -13.708 flat angles P-C4'-P energy: -7.069 tors. eta vs tors. theta energy: -18.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -205.491580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.491580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.491580 (E_RNA) where: Base-Base interactions energy: -134.854 where: short stacking energy: -63.426 Base-Backbone interact. energy: -0.266 local terms energy: -70.371893 where: bonds (distance) C4'-P energy: -15.657 bonds (distance) P-C4' energy: -20.852 flat angles C4'-P-C4' energy: -18.428 flat angles P-C4'-P energy: -4.119 tors. eta vs tors. theta energy: -11.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -194.808171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.808171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.808171 (E_RNA) where: Base-Base interactions energy: -125.096 where: short stacking energy: -53.588 Base-Backbone interact. energy: 0.529 local terms energy: -70.240830 where: bonds (distance) C4'-P energy: -16.127 bonds (distance) P-C4' energy: -19.841 flat angles C4'-P-C4' energy: -20.945 flat angles P-C4'-P energy: -1.738 tors. eta vs tors. theta energy: -11.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -200.163132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.163132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.163132 (E_RNA) where: Base-Base interactions energy: -130.647 where: short stacking energy: -52.182 Base-Backbone interact. energy: -0.484 local terms energy: -69.032130 where: bonds (distance) C4'-P energy: -13.742 bonds (distance) P-C4' energy: -17.006 flat angles C4'-P-C4' energy: -13.757 flat angles P-C4'-P energy: -11.546 tors. eta vs tors. theta energy: -12.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -285.878030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.878030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.878030 (E_RNA) where: Base-Base interactions energy: -198.755 where: short stacking energy: -80.521 Base-Backbone interact. energy: -0.742 local terms energy: -86.381386 where: bonds (distance) C4'-P energy: -17.822 bonds (distance) P-C4' energy: -19.179 flat angles C4'-P-C4' energy: -19.227 flat angles P-C4'-P energy: -12.168 tors. eta vs tors. theta energy: -17.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -289.394447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.394447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.394447 (E_RNA) where: Base-Base interactions energy: -207.778 where: short stacking energy: -89.631 Base-Backbone interact. energy: -0.870 local terms energy: -80.746841 where: bonds (distance) C4'-P energy: -18.826 bonds (distance) P-C4' energy: -15.037 flat angles C4'-P-C4' energy: -14.899 flat angles P-C4'-P energy: -9.809 tors. eta vs tors. theta energy: -22.177 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: 7 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -276.320837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.320837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.320837 (E_RNA) where: Base-Base interactions energy: -194.152 where: short stacking energy: -81.365 Base-Backbone interact. energy: -1.540 local terms energy: -80.628382 where: bonds (distance) C4'-P energy: -13.806 bonds (distance) P-C4' energy: -19.377 flat angles C4'-P-C4' energy: -18.665 flat angles P-C4'-P energy: -9.302 tors. eta vs tors. theta energy: -19.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -238.645074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.645074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.645074 (E_RNA) where: Base-Base interactions energy: -162.047 where: short stacking energy: -75.022 Base-Backbone interact. energy: -0.021 local terms energy: -76.577942 where: bonds (distance) C4'-P energy: -18.818 bonds (distance) P-C4' energy: -15.228 flat angles C4'-P-C4' energy: -18.196 flat angles P-C4'-P energy: -5.840 tors. eta vs tors. theta energy: -18.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -221.228981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.228981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.228981 (E_RNA) where: Base-Base interactions energy: -151.795 where: short stacking energy: -76.012 Base-Backbone interact. energy: -0.001 local terms energy: -69.433204 where: bonds (distance) C4'-P energy: -19.799 bonds (distance) P-C4' energy: -7.622 flat angles C4'-P-C4' energy: -19.853 flat angles P-C4'-P energy: -7.862 tors. eta vs tors. theta energy: -14.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -249.707434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.707434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.707434 (E_RNA) where: Base-Base interactions energy: -177.182 where: short stacking energy: -74.861 Base-Backbone interact. energy: -0.121 local terms energy: -72.405267 where: bonds (distance) C4'-P energy: -16.500 bonds (distance) P-C4' energy: -17.383 flat angles C4'-P-C4' energy: -19.592 flat angles P-C4'-P energy: -7.337 tors. eta vs tors. theta energy: -11.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -220.534564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.534564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.534564 (E_RNA) where: Base-Base interactions energy: -146.378 where: short stacking energy: -73.819 Base-Backbone interact. energy: -0.335 local terms energy: -73.822050 where: bonds (distance) C4'-P energy: -12.357 bonds (distance) P-C4' energy: -17.641 flat angles C4'-P-C4' energy: -14.942 flat angles P-C4'-P energy: -11.731 tors. eta vs tors. theta energy: -17.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -212.512484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.512484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.512484 (E_RNA) where: Base-Base interactions energy: -147.429 where: short stacking energy: -75.370 Base-Backbone interact. energy: -0.005 local terms energy: -65.078680 where: bonds (distance) C4'-P energy: -15.089 bonds (distance) P-C4' energy: -11.923 flat angles C4'-P-C4' energy: -11.782 flat angles P-C4'-P energy: -7.610 tors. eta vs tors. theta energy: -18.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -196.574833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.574833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.574833 (E_RNA) where: Base-Base interactions energy: -133.125 where: short stacking energy: -68.798 Base-Backbone interact. energy: -0.368 local terms energy: -63.081616 where: bonds (distance) C4'-P energy: -11.923 bonds (distance) P-C4' energy: -10.541 flat angles C4'-P-C4' energy: -17.804 flat angles P-C4'-P energy: -10.076 tors. eta vs tors. theta energy: -12.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -193.551313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.551313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.551313 (E_RNA) where: Base-Base interactions energy: -130.800 where: short stacking energy: -64.623 Base-Backbone interact. energy: -0.061 local terms energy: -62.689957 where: bonds (distance) C4'-P energy: -11.405 bonds (distance) P-C4' energy: -8.413 flat angles C4'-P-C4' energy: -14.110 flat angles P-C4'-P energy: -14.343 tors. eta vs tors. theta energy: -14.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -298.081849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.081849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.081849 (E_RNA) where: Base-Base interactions energy: -208.765 where: short stacking energy: -96.653 Base-Backbone interact. energy: 0.717 local terms energy: -90.033867 where: bonds (distance) C4'-P energy: -19.349 bonds (distance) P-C4' energy: -19.203 flat angles C4'-P-C4' energy: -21.029 flat angles P-C4'-P energy: -9.595 tors. eta vs tors. theta energy: -20.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -275.940233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.940233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.940233 (E_RNA) where: Base-Base interactions energy: -202.369 where: short stacking energy: -85.146 Base-Backbone interact. energy: -0.431 local terms energy: -73.139830 where: bonds (distance) C4'-P energy: -11.755 bonds (distance) P-C4' energy: -17.606 flat angles C4'-P-C4' energy: -15.360 flat angles P-C4'-P energy: -8.534 tors. eta vs tors. theta energy: -19.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -282.439653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.439653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.439653 (E_RNA) where: Base-Base interactions energy: -205.708 where: short stacking energy: -86.455 Base-Backbone interact. energy: -1.930 local terms energy: -74.801889 where: bonds (distance) C4'-P energy: -15.710 bonds (distance) P-C4' energy: -18.564 flat angles C4'-P-C4' energy: -16.836 flat angles P-C4'-P energy: -2.984 tors. eta vs tors. theta energy: -20.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -241.649475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.649475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.649475 (E_RNA) where: Base-Base interactions energy: -166.559 where: short stacking energy: -85.134 Base-Backbone interact. energy: -0.287 local terms energy: -74.802853 where: bonds (distance) C4'-P energy: -18.810 bonds (distance) P-C4' energy: -17.022 flat angles C4'-P-C4' energy: -13.682 flat angles P-C4'-P energy: -8.117 tors. eta vs tors. theta energy: -17.171 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: 340 Temperature: 1.100000 Total energy: -266.866154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.866154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.866154 (E_RNA) where: Base-Base interactions energy: -191.772 where: short stacking energy: -86.301 Base-Backbone interact. energy: 0.354 local terms energy: -75.448334 where: bonds (distance) C4'-P energy: -13.555 bonds (distance) P-C4' energy: -15.362 flat angles C4'-P-C4' energy: -17.431 flat angles P-C4'-P energy: -8.551 tors. eta vs tors. theta energy: -20.550 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: 8 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -225.720582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.720582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.720582 (E_RNA) where: Base-Base interactions energy: -155.121 where: short stacking energy: -74.430 Base-Backbone interact. energy: -0.646 local terms energy: -69.953695 where: bonds (distance) C4'-P energy: -17.352 bonds (distance) P-C4' energy: -14.104 flat angles C4'-P-C4' energy: -16.484 flat angles P-C4'-P energy: -5.806 tors. eta vs tors. theta energy: -16.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -214.160735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.160735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.160735 (E_RNA) where: Base-Base interactions energy: -137.535 where: short stacking energy: -67.960 Base-Backbone interact. energy: -0.037 local terms energy: -76.588192 where: bonds (distance) C4'-P energy: -16.599 bonds (distance) P-C4' energy: -14.992 flat angles C4'-P-C4' energy: -17.796 flat angles P-C4'-P energy: -8.218 tors. eta vs tors. theta energy: -18.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -212.694834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.694834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.694834 (E_RNA) where: Base-Base interactions energy: -141.602 where: short stacking energy: -72.733 Base-Backbone interact. energy: -0.773 local terms energy: -70.319217 where: bonds (distance) C4'-P energy: -12.691 bonds (distance) P-C4' energy: -17.731 flat angles C4'-P-C4' energy: -15.519 flat angles P-C4'-P energy: -8.165 tors. eta vs tors. theta energy: -16.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -207.098849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.098849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.098849 (E_RNA) where: Base-Base interactions energy: -134.324 where: short stacking energy: -63.292 Base-Backbone interact. energy: -0.701 local terms energy: -72.073799 where: bonds (distance) C4'-P energy: -12.774 bonds (distance) P-C4' energy: -20.243 flat angles C4'-P-C4' energy: -14.098 flat angles P-C4'-P energy: -9.282 tors. eta vs tors. theta energy: -15.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -180.153044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.153044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.153044 (E_RNA) where: Base-Base interactions energy: -118.864 where: short stacking energy: -43.728 Base-Backbone interact. energy: -0.124 local terms energy: -61.165129 where: bonds (distance) C4'-P energy: -14.024 bonds (distance) P-C4' energy: -15.369 flat angles C4'-P-C4' energy: -13.103 flat angles P-C4'-P energy: -5.833 tors. eta vs tors. theta energy: -12.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -293.737247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.737247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.737247 (E_RNA) where: Base-Base interactions energy: -209.728 where: short stacking energy: -93.818 Base-Backbone interact. energy: -0.894 local terms energy: -83.114468 where: bonds (distance) C4'-P energy: -15.578 bonds (distance) P-C4' energy: -17.595 flat angles C4'-P-C4' energy: -16.498 flat angles P-C4'-P energy: -12.412 tors. eta vs tors. theta energy: -21.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -299.405068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.405068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.405068 (E_RNA) where: Base-Base interactions energy: -205.400 where: short stacking energy: -88.966 Base-Backbone interact. energy: -3.230 local terms energy: -90.775163 where: bonds (distance) C4'-P energy: -17.324 bonds (distance) P-C4' energy: -16.665 flat angles C4'-P-C4' energy: -19.664 flat angles P-C4'-P energy: -11.213 tors. eta vs tors. theta energy: -25.908 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: 341 Temperature: 1.000000 Total energy: -278.708798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.708798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.708798 (E_RNA) where: Base-Base interactions energy: -200.631 where: short stacking energy: -86.137 Base-Backbone interact. energy: -0.139 local terms energy: -77.938444 where: bonds (distance) C4'-P energy: -14.127 bonds (distance) P-C4' energy: -17.660 flat angles C4'-P-C4' energy: -15.481 flat angles P-C4'-P energy: -11.686 tors. eta vs tors. theta energy: -18.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -254.974393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.974393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.974393 (E_RNA) where: Base-Base interactions energy: -173.098 where: short stacking energy: -89.330 Base-Backbone interact. energy: -0.063 local terms energy: -81.813398 where: bonds (distance) C4'-P energy: -14.806 bonds (distance) P-C4' energy: -14.745 flat angles C4'-P-C4' energy: -19.044 flat angles P-C4'-P energy: -11.322 tors. eta vs tors. theta energy: -21.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -271.864552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.864552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.864552 (E_RNA) where: Base-Base interactions energy: -193.572 where: short stacking energy: -89.245 Base-Backbone interact. energy: 0.082 local terms energy: -78.374573 where: bonds (distance) C4'-P energy: -14.344 bonds (distance) P-C4' energy: -13.565 flat angles C4'-P-C4' energy: -17.708 flat angles P-C4'-P energy: -11.368 tors. eta vs tors. theta energy: -21.390 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: 8 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -227.416951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.416951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.416951 (E_RNA) where: Base-Base interactions energy: -158.566 where: short stacking energy: -78.083 Base-Backbone interact. energy: -0.050 local terms energy: -68.800625 where: bonds (distance) C4'-P energy: -15.785 bonds (distance) P-C4' energy: -11.992 flat angles C4'-P-C4' energy: -16.593 flat angles P-C4'-P energy: -6.137 tors. eta vs tors. theta energy: -18.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -210.969866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.969866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.969866 (E_RNA) where: Base-Base interactions energy: -137.086 where: short stacking energy: -65.622 Base-Backbone interact. energy: -0.055 local terms energy: -73.829356 where: bonds (distance) C4'-P energy: -13.197 bonds (distance) P-C4' energy: -17.114 flat angles C4'-P-C4' energy: -14.712 flat angles P-C4'-P energy: -8.691 tors. eta vs tors. theta energy: -20.115 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: 4 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -214.218302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.218302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.218302 (E_RNA) where: Base-Base interactions energy: -144.978 where: short stacking energy: -68.127 Base-Backbone interact. energy: 0.210 local terms energy: -69.450137 where: bonds (distance) C4'-P energy: -12.380 bonds (distance) P-C4' energy: -16.342 flat angles C4'-P-C4' energy: -12.948 flat angles P-C4'-P energy: -13.605 tors. eta vs tors. theta energy: -14.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -199.516977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.516977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.516977 (E_RNA) where: Base-Base interactions energy: -132.659 where: short stacking energy: -53.894 Base-Backbone interact. energy: -0.111 local terms energy: -66.746706 where: bonds (distance) C4'-P energy: -17.696 bonds (distance) P-C4' energy: -13.510 flat angles C4'-P-C4' energy: -11.635 flat angles P-C4'-P energy: -12.026 tors. eta vs tors. theta energy: -11.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -201.651140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.651140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.651140 (E_RNA) where: Base-Base interactions energy: -135.872 where: short stacking energy: -58.029 Base-Backbone interact. energy: -0.097 local terms energy: -65.682321 where: bonds (distance) C4'-P energy: -17.100 bonds (distance) P-C4' energy: -16.174 flat angles C4'-P-C4' energy: -12.574 flat angles P-C4'-P energy: -7.348 tors. eta vs tors. theta energy: -12.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -287.868190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.868190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.868190 (E_RNA) where: Base-Base interactions energy: -200.021 where: short stacking energy: -88.218 Base-Backbone interact. energy: -0.634 local terms energy: -87.212969 where: bonds (distance) C4'-P energy: -20.019 bonds (distance) P-C4' energy: -11.524 flat angles C4'-P-C4' energy: -20.652 flat angles P-C4'-P energy: -12.772 tors. eta vs tors. theta energy: -22.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -296.862025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.862025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.862025 (E_RNA) where: Base-Base interactions energy: -209.686 where: short stacking energy: -94.220 Base-Backbone interact. energy: -0.114 local terms energy: -87.061792 where: bonds (distance) C4'-P energy: -17.647 bonds (distance) P-C4' energy: -17.606 flat angles C4'-P-C4' energy: -19.973 flat angles P-C4'-P energy: -9.763 tors. eta vs tors. theta energy: -22.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -280.944208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.944208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.944208 (E_RNA) where: Base-Base interactions energy: -197.658 where: short stacking energy: -82.310 Base-Backbone interact. energy: -1.082 local terms energy: -82.203991 where: bonds (distance) C4'-P energy: -17.025 bonds (distance) P-C4' energy: -20.193 flat angles C4'-P-C4' energy: -17.092 flat angles P-C4'-P energy: -12.547 tors. eta vs tors. theta energy: -15.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -234.989280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.989280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.989280 (E_RNA) where: Base-Base interactions energy: -155.056 where: short stacking energy: -73.752 Base-Backbone interact. energy: -0.017 local terms energy: -79.916247 where: bonds (distance) C4'-P energy: -16.939 bonds (distance) P-C4' energy: -15.912 flat angles C4'-P-C4' energy: -17.727 flat angles P-C4'-P energy: -11.397 tors. eta vs tors. theta energy: -17.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -241.614228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.614228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.614228 (E_RNA) where: Base-Base interactions energy: -161.244 where: short stacking energy: -79.789 Base-Backbone interact. energy: -0.464 local terms energy: -79.905946 where: bonds (distance) C4'-P energy: -17.381 bonds (distance) P-C4' energy: -16.396 flat angles C4'-P-C4' energy: -15.335 flat angles P-C4'-P energy: -12.760 tors. eta vs tors. theta energy: -18.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -252.526256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.526256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.526256 (E_RNA) where: Base-Base interactions energy: -175.560 where: short stacking energy: -69.940 Base-Backbone interact. energy: -0.805 local terms energy: -76.160744 where: bonds (distance) C4'-P energy: -17.792 bonds (distance) P-C4' energy: -16.184 flat angles C4'-P-C4' energy: -18.375 flat angles P-C4'-P energy: -6.242 tors. eta vs tors. theta energy: -17.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -233.182628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.182628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.182628 (E_RNA) where: Base-Base interactions energy: -155.088 where: short stacking energy: -78.713 Base-Backbone interact. energy: -0.668 local terms energy: -77.427325 where: bonds (distance) C4'-P energy: -13.167 bonds (distance) P-C4' energy: -17.053 flat angles C4'-P-C4' energy: -13.473 flat angles P-C4'-P energy: -13.073 tors. eta vs tors. theta energy: -20.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -218.780402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.780402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.780402 (E_RNA) where: Base-Base interactions energy: -158.559 where: short stacking energy: -75.515 Base-Backbone interact. energy: -0.960 local terms energy: -59.261605 where: bonds (distance) C4'-P energy: -16.525 bonds (distance) P-C4' energy: -7.128 flat angles C4'-P-C4' energy: -15.680 flat angles P-C4'-P energy: -3.586 tors. eta vs tors. theta energy: -16.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -199.575397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.575397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.575397 (E_RNA) where: Base-Base interactions energy: -127.727 where: short stacking energy: -56.184 Base-Backbone interact. energy: 0.847 local terms energy: -72.695158 where: bonds (distance) C4'-P energy: -16.863 bonds (distance) P-C4' energy: -16.470 flat angles C4'-P-C4' energy: -16.792 flat angles P-C4'-P energy: -10.390 tors. eta vs tors. theta energy: -12.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -197.057804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.057804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.057804 (E_RNA) where: Base-Base interactions energy: -129.010 where: short stacking energy: -46.243 Base-Backbone interact. energy: -0.663 local terms energy: -67.384608 where: bonds (distance) C4'-P energy: -12.809 bonds (distance) P-C4' energy: -17.399 flat angles C4'-P-C4' energy: -14.891 flat angles P-C4'-P energy: -11.015 tors. eta vs tors. theta energy: -11.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -295.596013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.596013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.596013 (E_RNA) where: Base-Base interactions energy: -216.432 where: short stacking energy: -90.544 Base-Backbone interact. energy: -0.119 local terms energy: -79.044754 where: bonds (distance) C4'-P energy: -14.877 bonds (distance) P-C4' energy: -15.220 flat angles C4'-P-C4' energy: -17.513 flat angles P-C4'-P energy: -9.820 tors. eta vs tors. theta energy: -21.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -285.622677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.622677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.622677 (E_RNA) where: Base-Base interactions energy: -200.595 where: short stacking energy: -84.996 Base-Backbone interact. energy: -0.738 local terms energy: -84.288874 where: bonds (distance) C4'-P energy: -13.039 bonds (distance) P-C4' energy: -19.295 flat angles C4'-P-C4' energy: -17.519 flat angles P-C4'-P energy: -11.168 tors. eta vs tors. theta energy: -23.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -278.584140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.584140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.584140 (E_RNA) where: Base-Base interactions energy: -200.844 where: short stacking energy: -93.184 Base-Backbone interact. energy: -0.669 local terms energy: -77.071627 where: bonds (distance) C4'-P energy: -12.219 bonds (distance) P-C4' energy: -16.101 flat angles C4'-P-C4' energy: -14.310 flat angles P-C4'-P energy: -12.378 tors. eta vs tors. theta energy: -22.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -248.012287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.012287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.012287 (E_RNA) where: Base-Base interactions energy: -172.472 where: short stacking energy: -90.709 Base-Backbone interact. energy: -0.301 local terms energy: -75.239886 where: bonds (distance) C4'-P energy: -10.282 bonds (distance) P-C4' energy: -19.426 flat angles C4'-P-C4' energy: -17.927 flat angles P-C4'-P energy: -7.062 tors. eta vs tors. theta energy: -20.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -227.800928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.800928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.800928 (E_RNA) where: Base-Base interactions energy: -154.978 where: short stacking energy: -81.191 Base-Backbone interact. energy: -0.004 local terms energy: -72.819252 where: bonds (distance) C4'-P energy: -15.441 bonds (distance) P-C4' energy: -14.118 flat angles C4'-P-C4' energy: -16.956 flat angles P-C4'-P energy: -8.839 tors. eta vs tors. theta energy: -17.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -250.590285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.590285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.590285 (E_RNA) where: Base-Base interactions energy: -178.412 where: short stacking energy: -71.820 Base-Backbone interact. energy: 0.993 local terms energy: -73.170931 where: bonds (distance) C4'-P energy: -11.792 bonds (distance) P-C4' energy: -17.466 flat angles C4'-P-C4' energy: -17.146 flat angles P-C4'-P energy: -4.604 tors. eta vs tors. theta energy: -22.163 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: 4 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -245.371687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.371687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.371687 (E_RNA) where: Base-Base interactions energy: -173.319 where: short stacking energy: -84.858 Base-Backbone interact. energy: -0.151 local terms energy: -71.901662 where: bonds (distance) C4'-P energy: -13.417 bonds (distance) P-C4' energy: -13.898 flat angles C4'-P-C4' energy: -16.484 flat angles P-C4'-P energy: -7.262 tors. eta vs tors. theta energy: -20.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -200.896456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.896456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.896456 (E_RNA) where: Base-Base interactions energy: -137.515 where: short stacking energy: -55.328 Base-Backbone interact. energy: -0.104 local terms energy: -63.278130 where: bonds (distance) C4'-P energy: -12.171 bonds (distance) P-C4' energy: -15.600 flat angles C4'-P-C4' energy: -15.822 flat angles P-C4'-P energy: -7.729 tors. eta vs tors. theta energy: -11.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -192.914492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.914492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.914492 (E_RNA) where: Base-Base interactions energy: -126.641 where: short stacking energy: -53.987 Base-Backbone interact. energy: -0.315 local terms energy: -65.957695 where: bonds (distance) C4'-P energy: -16.503 bonds (distance) P-C4' energy: -17.721 flat angles C4'-P-C4' energy: -18.289 flat angles P-C4'-P energy: -3.867 tors. eta vs tors. theta energy: -9.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -193.557307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.557307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.557307 (E_RNA) where: Base-Base interactions energy: -129.097 where: short stacking energy: -60.341 Base-Backbone interact. energy: -0.479 local terms energy: -63.981310 where: bonds (distance) C4'-P energy: -13.618 bonds (distance) P-C4' energy: -15.934 flat angles C4'-P-C4' energy: -15.296 flat angles P-C4'-P energy: -7.676 tors. eta vs tors. theta energy: -11.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -285.577979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.577979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.577979 (E_RNA) where: Base-Base interactions energy: -194.117 where: short stacking energy: -84.180 Base-Backbone interact. energy: -0.955 local terms energy: -90.506009 where: bonds (distance) C4'-P energy: -18.335 bonds (distance) P-C4' energy: -18.287 flat angles C4'-P-C4' energy: -18.513 flat angles P-C4'-P energy: -12.895 tors. eta vs tors. theta energy: -22.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -284.967131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.967131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.967131 (E_RNA) where: Base-Base interactions energy: -203.752 where: short stacking energy: -93.117 Base-Backbone interact. energy: -0.836 local terms energy: -80.379481 where: bonds (distance) C4'-P energy: -17.515 bonds (distance) P-C4' energy: -12.946 flat angles C4'-P-C4' energy: -16.616 flat angles P-C4'-P energy: -11.890 tors. eta vs tors. theta energy: -21.413 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: 8 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -256.384385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.384385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.384385 (E_RNA) where: Base-Base interactions energy: -172.708 where: short stacking energy: -87.696 Base-Backbone interact. energy: -0.267 local terms energy: -83.409727 where: bonds (distance) C4'-P energy: -12.182 bonds (distance) P-C4' energy: -15.989 flat angles C4'-P-C4' energy: -20.070 flat angles P-C4'-P energy: -10.964 tors. eta vs tors. theta energy: -24.205 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: 1 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -273.578058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.578058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.578058 (E_RNA) where: Base-Base interactions energy: -195.221 where: short stacking energy: -90.597 Base-Backbone interact. energy: 0.893 local terms energy: -79.250422 where: bonds (distance) C4'-P energy: -18.130 bonds (distance) P-C4' energy: -13.309 flat angles C4'-P-C4' energy: -18.766 flat angles P-C4'-P energy: -7.856 tors. eta vs tors. theta energy: -21.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -257.651533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.651533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.651533 (E_RNA) where: Base-Base interactions energy: -189.057 where: short stacking energy: -79.559 Base-Backbone interact. energy: -0.890 local terms energy: -67.703767 where: bonds (distance) C4'-P energy: -11.615 bonds (distance) P-C4' energy: -15.453 flat angles C4'-P-C4' energy: -17.348 flat angles P-C4'-P energy: -3.518 tors. eta vs tors. theta energy: -19.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -221.827980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.827980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.827980 (E_RNA) where: Base-Base interactions energy: -150.164 where: short stacking energy: -76.376 Base-Backbone interact. energy: -0.109 local terms energy: -71.554837 where: bonds (distance) C4'-P energy: -13.039 bonds (distance) P-C4' energy: -17.350 flat angles C4'-P-C4' energy: -19.162 flat angles P-C4'-P energy: -4.927 tors. eta vs tors. theta energy: -17.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -222.534893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.534893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.534893 (E_RNA) where: Base-Base interactions energy: -143.800 where: short stacking energy: -65.706 Base-Backbone interact. energy: -0.772 local terms energy: -77.962195 where: bonds (distance) C4'-P energy: -18.276 bonds (distance) P-C4' energy: -14.621 flat angles C4'-P-C4' energy: -15.264 flat angles P-C4'-P energy: -13.943 tors. eta vs tors. theta energy: -15.858 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: 6 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -208.530270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.530270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.530270 (E_RNA) where: Base-Base interactions energy: -139.747 where: short stacking energy: -68.829 Base-Backbone interact. energy: -0.779 local terms energy: -68.003953 where: bonds (distance) C4'-P energy: -16.484 bonds (distance) P-C4' energy: -11.361 flat angles C4'-P-C4' energy: -13.944 flat angles P-C4'-P energy: -9.165 tors. eta vs tors. theta energy: -17.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -206.497580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.497580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.497580 (E_RNA) where: Base-Base interactions energy: -140.256 where: short stacking energy: -57.007 Base-Backbone interact. energy: -0.085 local terms energy: -66.157208 where: bonds (distance) C4'-P energy: -17.381 bonds (distance) P-C4' energy: -18.429 flat angles C4'-P-C4' energy: -12.992 flat angles P-C4'-P energy: -7.269 tors. eta vs tors. theta energy: -10.086 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: 10, replica: 9 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -191.265402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.265402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.265402 (E_RNA) where: Base-Base interactions energy: -132.831 where: short stacking energy: -55.969 Base-Backbone interact. energy: 0.454 local terms energy: -58.888477 where: bonds (distance) C4'-P energy: -8.534 bonds (distance) P-C4' energy: -15.914 flat angles C4'-P-C4' energy: -15.684 flat angles P-C4'-P energy: -6.388 tors. eta vs tors. theta energy: -12.368 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: 7 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -290.271994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.271994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.271994 (E_RNA) where: Base-Base interactions energy: -202.402 where: short stacking energy: -89.903 Base-Backbone interact. energy: -1.050 local terms energy: -86.820299 where: bonds (distance) C4'-P energy: -16.362 bonds (distance) P-C4' energy: -18.533 flat angles C4'-P-C4' energy: -19.728 flat angles P-C4'-P energy: -11.262 tors. eta vs tors. theta energy: -20.935 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: 3 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -278.144538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.144538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.144538 (E_RNA) where: Base-Base interactions energy: -202.047 where: short stacking energy: -77.888 Base-Backbone interact. energy: -0.089 local terms energy: -76.008687 where: bonds (distance) C4'-P energy: -13.077 bonds (distance) P-C4' energy: -19.578 flat angles C4'-P-C4' energy: -16.779 flat angles P-C4'-P energy: -9.754 tors. eta vs tors. theta energy: -16.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -253.386058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.386058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.386058 (E_RNA) where: Base-Base interactions energy: -164.032 where: short stacking energy: -73.611 Base-Backbone interact. energy: -1.108 local terms energy: -88.246237 where: bonds (distance) C4'-P energy: -14.960 bonds (distance) P-C4' energy: -18.153 flat angles C4'-P-C4' energy: -18.303 flat angles P-C4'-P energy: -13.173 tors. eta vs tors. theta energy: -23.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -268.389463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.389463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.389463 (E_RNA) where: Base-Base interactions energy: -189.234 where: short stacking energy: -86.801 Base-Backbone interact. energy: -1.131 local terms energy: -78.024161 where: bonds (distance) C4'-P energy: -15.548 bonds (distance) P-C4' energy: -14.975 flat angles C4'-P-C4' energy: -17.001 flat angles P-C4'-P energy: -10.554 tors. eta vs tors. theta energy: -19.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -256.928374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.928374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.928374 (E_RNA) where: Base-Base interactions energy: -181.042 where: short stacking energy: -80.942 Base-Backbone interact. energy: -1.023 local terms energy: -74.863219 where: bonds (distance) C4'-P energy: -14.609 bonds (distance) P-C4' energy: -15.960 flat angles C4'-P-C4' energy: -15.190 flat angles P-C4'-P energy: -9.086 tors. eta vs tors. theta energy: -20.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -238.032509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.032509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.032509 (E_RNA) where: Base-Base interactions energy: -160.712 where: short stacking energy: -74.985 Base-Backbone interact. energy: -0.011 local terms energy: -77.309391 where: bonds (distance) C4'-P energy: -14.743 bonds (distance) P-C4' energy: -20.895 flat angles C4'-P-C4' energy: -15.796 flat angles P-C4'-P energy: -8.637 tors. eta vs tors. theta energy: -17.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -209.076100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.076100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.076100 (E_RNA) where: Base-Base interactions energy: -141.558 where: short stacking energy: -59.161 Base-Backbone interact. energy: -0.577 local terms energy: -66.940980 where: bonds (distance) C4'-P energy: -10.695 bonds (distance) P-C4' energy: -19.546 flat angles C4'-P-C4' energy: -13.109 flat angles P-C4'-P energy: -8.666 tors. eta vs tors. theta energy: -14.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -207.157164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.157164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.157164 (E_RNA) where: Base-Base interactions energy: -140.289 where: short stacking energy: -60.145 Base-Backbone interact. energy: -0.173 local terms energy: -66.695620 where: bonds (distance) C4'-P energy: -15.196 bonds (distance) P-C4' energy: -16.853 flat angles C4'-P-C4' energy: -12.005 flat angles P-C4'-P energy: -9.344 tors. eta vs tors. theta energy: -13.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -203.518280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.518280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.518280 (E_RNA) where: Base-Base interactions energy: -132.753 where: short stacking energy: -59.431 Base-Backbone interact. energy: 0.026 local terms energy: -70.791760 where: bonds (distance) C4'-P energy: -16.293 bonds (distance) P-C4' energy: -18.699 flat angles C4'-P-C4' energy: -17.334 flat angles P-C4'-P energy: -8.352 tors. eta vs tors. theta energy: -10.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -171.076958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.076958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.076958 (E_RNA) where: Base-Base interactions energy: -111.193 where: short stacking energy: -53.999 Base-Backbone interact. energy: -0.005 local terms energy: -59.878763 where: bonds (distance) C4'-P energy: -17.135 bonds (distance) P-C4' energy: -10.328 flat angles C4'-P-C4' energy: -14.258 flat angles P-C4'-P energy: -8.988 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: 1, replica: 3 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -273.449009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.449009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.449009 (E_RNA) where: Base-Base interactions energy: -190.855 where: short stacking energy: -79.533 Base-Backbone interact. energy: -1.292 local terms energy: -81.302390 where: bonds (distance) C4'-P energy: -17.009 bonds (distance) P-C4' energy: -17.554 flat angles C4'-P-C4' energy: -16.362 flat angles P-C4'-P energy: -10.110 tors. eta vs tors. theta energy: -20.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -290.135021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.135021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.135021 (E_RNA) where: Base-Base interactions energy: -203.011 where: short stacking energy: -92.376 Base-Backbone interact. energy: -1.755 local terms energy: -85.368528 where: bonds (distance) C4'-P energy: -14.434 bonds (distance) P-C4' energy: -18.089 flat angles C4'-P-C4' energy: -18.087 flat angles P-C4'-P energy: -11.163 tors. eta vs tors. theta energy: -23.596 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: 3, replica: 1 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -275.183232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.183232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.183232 (E_RNA) where: Base-Base interactions energy: -194.657 where: short stacking energy: -82.756 Base-Backbone interact. energy: -1.347 local terms energy: -79.179774 where: bonds (distance) C4'-P energy: -13.469 bonds (distance) P-C4' energy: -17.936 flat angles C4'-P-C4' energy: -16.952 flat angles P-C4'-P energy: -11.010 tors. eta vs tors. theta energy: -19.814 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: 346 Temperature: 1.050000 Total energy: -249.735538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.735538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.735538 (E_RNA) where: Base-Base interactions energy: -172.053 where: short stacking energy: -87.948 Base-Backbone interact. energy: -0.125 local terms energy: -77.557890 where: bonds (distance) C4'-P energy: -12.183 bonds (distance) P-C4' energy: -11.227 flat angles C4'-P-C4' energy: -17.930 flat angles P-C4'-P energy: -13.135 tors. eta vs tors. theta energy: -23.082 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: 5, replica: 10 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -259.649693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.649693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.649693 (E_RNA) where: Base-Base interactions energy: -183.088 where: short stacking energy: -82.181 Base-Backbone interact. energy: -0.304 local terms energy: -76.257573 where: bonds (distance) C4'-P energy: -15.312 bonds (distance) P-C4' energy: -14.305 flat angles C4'-P-C4' energy: -15.719 flat angles P-C4'-P energy: -10.278 tors. eta vs tors. theta energy: -20.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -230.000266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.000266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.000266 (E_RNA) where: Base-Base interactions energy: -154.627 where: short stacking energy: -78.507 Base-Backbone interact. energy: -0.979 local terms energy: -74.393620 where: bonds (distance) C4'-P energy: -13.706 bonds (distance) P-C4' energy: -15.112 flat angles C4'-P-C4' energy: -17.325 flat angles P-C4'-P energy: -9.441 tors. eta vs tors. theta energy: -18.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -216.607459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.607459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.607459 (E_RNA) where: Base-Base interactions energy: -146.420 where: short stacking energy: -72.098 Base-Backbone interact. energy: -0.291 local terms energy: -69.896097 where: bonds (distance) C4'-P energy: -12.771 bonds (distance) P-C4' energy: -15.074 flat angles C4'-P-C4' energy: -19.750 flat angles P-C4'-P energy: -5.925 tors. eta vs tors. theta energy: -16.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -209.878418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.878418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.878418 (E_RNA) where: Base-Base interactions energy: -135.644 where: short stacking energy: -64.122 Base-Backbone interact. energy: -0.093 local terms energy: -74.141340 where: bonds (distance) C4'-P energy: -12.591 bonds (distance) P-C4' energy: -16.687 flat angles C4'-P-C4' energy: -17.631 flat angles P-C4'-P energy: -11.564 tors. eta vs tors. theta energy: -15.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -207.655150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.655150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.655150 (E_RNA) where: Base-Base interactions energy: -130.127 where: short stacking energy: -65.821 Base-Backbone interact. energy: -0.109 local terms energy: -77.418515 where: bonds (distance) C4'-P energy: -17.142 bonds (distance) P-C4' energy: -14.240 flat angles C4'-P-C4' energy: -18.957 flat angles P-C4'-P energy: -12.508 tors. eta vs tors. theta energy: -14.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -190.487774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.487774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.487774 (E_RNA) where: Base-Base interactions energy: -124.067 where: short stacking energy: -53.565 Base-Backbone interact. energy: -0.132 local terms energy: -66.288441 where: bonds (distance) C4'-P energy: -15.233 bonds (distance) P-C4' energy: -17.075 flat angles C4'-P-C4' energy: -10.833 flat angles P-C4'-P energy: -10.770 tors. eta vs tors. theta energy: -12.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -283.312521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.312521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.312521 (E_RNA) where: Base-Base interactions energy: -205.868 where: short stacking energy: -84.250 Base-Backbone interact. energy: -0.675 local terms energy: -76.769525 where: bonds (distance) C4'-P energy: -12.956 bonds (distance) P-C4' energy: -19.660 flat angles C4'-P-C4' energy: -14.851 flat angles P-C4'-P energy: -10.542 tors. eta vs tors. theta energy: -18.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -283.809541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.809541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.809541 (E_RNA) where: Base-Base interactions energy: -192.677 where: short stacking energy: -83.649 Base-Backbone interact. energy: -1.142 local terms energy: -89.990601 where: bonds (distance) C4'-P energy: -17.584 bonds (distance) P-C4' energy: -19.587 flat angles C4'-P-C4' energy: -18.818 flat angles P-C4'-P energy: -10.789 tors. eta vs tors. theta energy: -23.212 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: 1 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -274.900991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.900991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.900991 (E_RNA) where: Base-Base interactions energy: -185.985 where: short stacking energy: -82.368 Base-Backbone interact. energy: -0.588 local terms energy: -88.328415 where: bonds (distance) C4'-P energy: -12.125 bonds (distance) P-C4' energy: -20.373 flat angles C4'-P-C4' energy: -19.621 flat angles P-C4'-P energy: -16.173 tors. eta vs tors. theta energy: -20.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -271.215011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.215011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.215011 (E_RNA) where: Base-Base interactions energy: -190.998 where: short stacking energy: -76.375 Base-Backbone interact. energy: -0.564 local terms energy: -79.652479 where: bonds (distance) C4'-P energy: -18.401 bonds (distance) P-C4' energy: -20.878 flat angles C4'-P-C4' energy: -17.174 flat angles P-C4'-P energy: -4.884 tors. eta vs tors. theta energy: -18.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -234.036324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.036324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.036324 (E_RNA) where: Base-Base interactions energy: -150.014 where: short stacking energy: -76.599 Base-Backbone interact. energy: -0.372 local terms energy: -83.650427 where: bonds (distance) C4'-P energy: -16.371 bonds (distance) P-C4' energy: -17.135 flat angles C4'-P-C4' energy: -19.487 flat angles P-C4'-P energy: -10.938 tors. eta vs tors. theta energy: -19.718 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: 6, replica: 4 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -229.528884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.528884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.528884 (E_RNA) where: Base-Base interactions energy: -159.293 where: short stacking energy: -79.131 Base-Backbone interact. energy: -0.060 local terms energy: -70.176115 where: bonds (distance) C4'-P energy: -11.415 bonds (distance) P-C4' energy: -18.772 flat angles C4'-P-C4' energy: -14.097 flat angles P-C4'-P energy: -7.689 tors. eta vs tors. theta energy: -18.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -210.508691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.508691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.508691 (E_RNA) where: Base-Base interactions energy: -137.354 where: short stacking energy: -64.604 Base-Backbone interact. energy: -0.081 local terms energy: -73.073706 where: bonds (distance) C4'-P energy: -16.803 bonds (distance) P-C4' energy: -18.414 flat angles C4'-P-C4' energy: -12.148 flat angles P-C4'-P energy: -11.983 tors. eta vs tors. theta energy: -13.725 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: 9 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -197.408227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.408227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.408227 (E_RNA) where: Base-Base interactions energy: -132.962 where: short stacking energy: -59.740 Base-Backbone interact. energy: -1.254 local terms energy: -63.191840 where: bonds (distance) C4'-P energy: -16.567 bonds (distance) P-C4' energy: -15.538 flat angles C4'-P-C4' energy: -16.287 flat angles P-C4'-P energy: -2.777 tors. eta vs tors. theta energy: -12.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -209.205079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.205079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.205079 (E_RNA) where: Base-Base interactions energy: -141.378 where: short stacking energy: -68.466 Base-Backbone interact. energy: -0.378 local terms energy: -67.449345 where: bonds (distance) C4'-P energy: -11.802 bonds (distance) P-C4' energy: -16.135 flat angles C4'-P-C4' energy: -17.898 flat angles P-C4'-P energy: -10.311 tors. eta vs tors. theta energy: -11.304 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: 10, replica: 6 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -203.330197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.330197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.330197 (E_RNA) where: Base-Base interactions energy: -139.017 where: short stacking energy: -68.747 Base-Backbone interact. energy: -1.070 local terms energy: -63.243493 where: bonds (distance) C4'-P energy: -11.318 bonds (distance) P-C4' energy: -16.427 flat angles C4'-P-C4' energy: -16.273 flat angles P-C4'-P energy: -9.637 tors. eta vs tors. theta energy: -9.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -303.180221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.180221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.180221 (E_RNA) where: Base-Base interactions energy: -212.121 where: short stacking energy: -94.000 Base-Backbone interact. energy: -1.867 local terms energy: -89.192051 where: bonds (distance) C4'-P energy: -16.454 bonds (distance) P-C4' energy: -19.091 flat angles C4'-P-C4' energy: -18.956 flat angles P-C4'-P energy: -11.387 tors. eta vs tors. theta energy: -23.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -289.282406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.282406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.282406 (E_RNA) where: Base-Base interactions energy: -209.904 where: short stacking energy: -90.843 Base-Backbone interact. energy: -0.203 local terms energy: -79.175122 where: bonds (distance) C4'-P energy: -15.304 bonds (distance) P-C4' energy: -17.236 flat angles C4'-P-C4' energy: -18.087 flat angles P-C4'-P energy: -7.346 tors. eta vs tors. theta energy: -21.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -282.076917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.076917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.076917 (E_RNA) where: Base-Base interactions energy: -196.870 where: short stacking energy: -91.756 Base-Backbone interact. energy: -0.379 local terms energy: -84.827423 where: bonds (distance) C4'-P energy: -18.430 bonds (distance) P-C4' energy: -15.655 flat angles C4'-P-C4' energy: -19.137 flat angles P-C4'-P energy: -9.064 tors. eta vs tors. theta energy: -22.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -257.312287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.312287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.312287 (E_RNA) where: Base-Base interactions energy: -173.661 where: short stacking energy: -79.508 Base-Backbone interact. energy: -1.103 local terms energy: -82.548644 where: bonds (distance) C4'-P energy: -15.279 bonds (distance) P-C4' energy: -19.681 flat angles C4'-P-C4' energy: -18.209 flat angles P-C4'-P energy: -10.811 tors. eta vs tors. theta energy: -18.568 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: 5, replica: 4 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -216.616809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.616809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.616809 (E_RNA) where: Base-Base interactions energy: -145.674 where: short stacking energy: -60.775 Base-Backbone interact. energy: -0.337 local terms energy: -70.605867 where: bonds (distance) C4'-P energy: -16.214 bonds (distance) P-C4' energy: -17.339 flat angles C4'-P-C4' energy: -18.900 flat angles P-C4'-P energy: -5.895 tors. eta vs tors. theta energy: -12.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -236.706975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.706975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.706975 (E_RNA) where: Base-Base interactions energy: -160.988 where: short stacking energy: -79.998 Base-Backbone interact. energy: -0.587 local terms energy: -75.131816 where: bonds (distance) C4'-P energy: -15.750 bonds (distance) P-C4' energy: -16.660 flat angles C4'-P-C4' energy: -15.992 flat angles P-C4'-P energy: -6.872 tors. eta vs tors. theta energy: -19.858 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: 9 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -208.939037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.939037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.939037 (E_RNA) where: Base-Base interactions energy: -152.204 where: short stacking energy: -77.078 Base-Backbone interact. energy: -0.085 local terms energy: -56.649830 where: bonds (distance) C4'-P energy: -9.002 bonds (distance) P-C4' energy: -17.948 flat angles C4'-P-C4' energy: -11.322 flat angles P-C4'-P energy: -5.040 tors. eta vs tors. theta energy: -13.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -205.606658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.606658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.606658 (E_RNA) where: Base-Base interactions energy: -141.436 where: short stacking energy: -67.907 Base-Backbone interact. energy: 0.332 local terms energy: -64.502902 where: bonds (distance) C4'-P energy: -13.085 bonds (distance) P-C4' energy: -15.722 flat angles C4'-P-C4' energy: -11.351 flat angles P-C4'-P energy: -7.181 tors. eta vs tors. theta energy: -17.165 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: 9, replica: 2 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -229.535536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.535536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.535536 (E_RNA) where: Base-Base interactions energy: -149.059 where: short stacking energy: -78.172 Base-Backbone interact. energy: -0.188 local terms energy: -80.289150 where: bonds (distance) C4'-P energy: -13.726 bonds (distance) P-C4' energy: -16.186 flat angles C4'-P-C4' energy: -16.524 flat angles P-C4'-P energy: -13.059 tors. eta vs tors. theta energy: -20.794 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: 10, replica: 6 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -193.990609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.990609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.990609 (E_RNA) where: Base-Base interactions energy: -124.046 where: short stacking energy: -56.358 Base-Backbone interact. energy: -0.281 local terms energy: -69.663153 where: bonds (distance) C4'-P energy: -15.402 bonds (distance) P-C4' energy: -13.424 flat angles C4'-P-C4' energy: -18.324 flat angles P-C4'-P energy: -14.393 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: 1, replica: 7 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -287.782673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.782673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.782673 (E_RNA) where: Base-Base interactions energy: -201.122 where: short stacking energy: -87.125 Base-Backbone interact. energy: -2.053 local terms energy: -84.608256 where: bonds (distance) C4'-P energy: -15.958 bonds (distance) P-C4' energy: -19.675 flat angles C4'-P-C4' energy: -18.217 flat angles P-C4'-P energy: -9.030 tors. eta vs tors. theta energy: -21.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -284.151811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.151811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.151811 (E_RNA) where: Base-Base interactions energy: -202.068 where: short stacking energy: -90.360 Base-Backbone interact. energy: 1.742 local terms energy: -83.825897 where: bonds (distance) C4'-P energy: -16.525 bonds (distance) P-C4' energy: -17.809 flat angles C4'-P-C4' energy: -20.521 flat angles P-C4'-P energy: -7.923 tors. eta vs tors. theta energy: -21.048 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: 3 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -281.996011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.996011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.996011 (E_RNA) where: Base-Base interactions energy: -200.700 where: short stacking energy: -92.364 Base-Backbone interact. energy: -0.578 local terms energy: -80.717791 where: bonds (distance) C4'-P energy: -15.787 bonds (distance) P-C4' energy: -16.557 flat angles C4'-P-C4' energy: -15.978 flat angles P-C4'-P energy: -9.041 tors. eta vs tors. theta energy: -23.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -266.655478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.655478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.655478 (E_RNA) where: Base-Base interactions energy: -185.115 where: short stacking energy: -80.214 Base-Backbone interact. energy: -1.040 local terms energy: -80.500422 where: bonds (distance) C4'-P energy: -12.596 bonds (distance) P-C4' energy: -16.761 flat angles C4'-P-C4' energy: -16.712 flat angles P-C4'-P energy: -12.641 tors. eta vs tors. theta energy: -21.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -233.850397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.850397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.850397 (E_RNA) where: Base-Base interactions energy: -162.048 where: short stacking energy: -81.285 Base-Backbone interact. energy: 0.753 local terms energy: -72.555606 where: bonds (distance) C4'-P energy: -16.471 bonds (distance) P-C4' energy: -18.150 flat angles C4'-P-C4' energy: -13.308 flat angles P-C4'-P energy: -10.190 tors. eta vs tors. theta energy: -14.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -211.555108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.555108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.555108 (E_RNA) where: Base-Base interactions energy: -147.401 where: short stacking energy: -61.859 Base-Backbone interact. energy: -1.345 local terms energy: -62.809740 where: bonds (distance) C4'-P energy: -13.477 bonds (distance) P-C4' energy: -11.802 flat angles C4'-P-C4' energy: -16.669 flat angles P-C4'-P energy: -9.115 tors. eta vs tors. theta energy: -11.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -225.596912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.596912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.596912 (E_RNA) where: Base-Base interactions energy: -145.954 where: short stacking energy: -70.690 Base-Backbone interact. energy: 0.157 local terms energy: -79.800407 where: bonds (distance) C4'-P energy: -14.252 bonds (distance) P-C4' energy: -17.182 flat angles C4'-P-C4' energy: -17.589 flat angles P-C4'-P energy: -12.252 tors. eta vs tors. theta energy: -18.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -207.272086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.272086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.272086 (E_RNA) where: Base-Base interactions energy: -144.903 where: short stacking energy: -68.117 Base-Backbone interact. energy: 0.014 local terms energy: -62.383245 where: bonds (distance) C4'-P energy: -17.800 bonds (distance) P-C4' energy: -15.750 flat angles C4'-P-C4' energy: -13.670 flat angles P-C4'-P energy: -4.807 tors. eta vs tors. theta energy: -10.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -208.218726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.218726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.218726 (E_RNA) where: Base-Base interactions energy: -142.516 where: short stacking energy: -68.878 Base-Backbone interact. energy: 0.028 local terms energy: -65.730130 where: bonds (distance) C4'-P energy: -15.310 bonds (distance) P-C4' energy: -9.601 flat angles C4'-P-C4' energy: -16.333 flat angles P-C4'-P energy: -7.853 tors. eta vs tors. theta energy: -16.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -199.156818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.156818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.156818 (E_RNA) where: Base-Base interactions energy: -130.668 where: short stacking energy: -50.041 Base-Backbone interact. energy: -0.717 local terms energy: -67.771965 where: bonds (distance) C4'-P energy: -17.708 bonds (distance) P-C4' energy: -10.616 flat angles C4'-P-C4' energy: -13.542 flat angles P-C4'-P energy: -11.145 tors. eta vs tors. theta energy: -14.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -288.649100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.649100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.649100 (E_RNA) where: Base-Base interactions energy: -199.730 where: short stacking energy: -94.584 Base-Backbone interact. energy: -0.313 local terms energy: -88.605807 where: bonds (distance) C4'-P energy: -19.432 bonds (distance) P-C4' energy: -18.911 flat angles C4'-P-C4' energy: -16.757 flat angles P-C4'-P energy: -10.518 tors. eta vs tors. theta energy: -22.987 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: 7 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -297.076416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.076416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.076416 (E_RNA) where: Base-Base interactions energy: -208.729 where: short stacking energy: -90.041 Base-Backbone interact. energy: -1.761 local terms energy: -86.586792 where: bonds (distance) C4'-P energy: -16.333 bonds (distance) P-C4' energy: -14.732 flat angles C4'-P-C4' energy: -18.025 flat angles P-C4'-P energy: -11.838 tors. eta vs tors. theta energy: -25.658 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: 350 Temperature: 1.000000 Total energy: -269.989269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.989269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.989269 (E_RNA) where: Base-Base interactions energy: -193.016 where: short stacking energy: -90.836 Base-Backbone interact. energy: -1.700 local terms energy: -75.273266 where: bonds (distance) C4'-P energy: -10.137 bonds (distance) P-C4' energy: -18.263 flat angles C4'-P-C4' energy: -16.168 flat angles P-C4'-P energy: -11.871 tors. eta vs tors. theta energy: -18.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -267.950478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.950478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.950478 (E_RNA) where: Base-Base interactions energy: -182.562 where: short stacking energy: -74.173 Base-Backbone interact. energy: -0.420 local terms energy: -84.969041 where: bonds (distance) C4'-P energy: -19.618 bonds (distance) P-C4' energy: -16.778 flat angles C4'-P-C4' energy: -16.803 flat angles P-C4'-P energy: -11.481 tors. eta vs tors. theta energy: -20.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -234.410441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.410441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.410441 (E_RNA) where: Base-Base interactions energy: -159.503 where: short stacking energy: -78.507 Base-Backbone interact. energy: -0.658 local terms energy: -74.250237 where: bonds (distance) C4'-P energy: -14.397 bonds (distance) P-C4' energy: -14.909 flat angles C4'-P-C4' energy: -19.012 flat angles P-C4'-P energy: -7.845 tors. eta vs tors. theta energy: -18.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -222.933104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.933104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.933104 (E_RNA) where: Base-Base interactions energy: -146.395 where: short stacking energy: -68.157 Base-Backbone interact. energy: -0.585 local terms energy: -75.952914 where: bonds (distance) C4'-P energy: -14.131 bonds (distance) P-C4' energy: -18.648 flat angles C4'-P-C4' energy: -16.632 flat angles P-C4'-P energy: -11.980 tors. eta vs tors. theta energy: -14.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -214.600129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.600129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.600129 (E_RNA) where: Base-Base interactions energy: -135.453 where: short stacking energy: -68.084 Base-Backbone interact. energy: -0.502 local terms energy: -78.645006 where: bonds (distance) C4'-P energy: -14.366 bonds (distance) P-C4' energy: -14.214 flat angles C4'-P-C4' energy: -20.291 flat angles P-C4'-P energy: -14.462 tors. eta vs tors. theta energy: -15.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -213.312747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.312747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.312747 (E_RNA) where: Base-Base interactions energy: -135.352 where: short stacking energy: -62.954 Base-Backbone interact. energy: 0.296 local terms energy: -78.257098 where: bonds (distance) C4'-P energy: -18.169 bonds (distance) P-C4' energy: -19.372 flat angles C4'-P-C4' energy: -18.646 flat angles P-C4'-P energy: -7.086 tors. eta vs tors. theta energy: -14.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -207.123752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.123752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.123752 (E_RNA) where: Base-Base interactions energy: -142.514 where: short stacking energy: -69.049 Base-Backbone interact. energy: -0.137 local terms energy: -64.472311 where: bonds (distance) C4'-P energy: -14.053 bonds (distance) P-C4' energy: -13.792 flat angles C4'-P-C4' energy: -15.013 flat angles P-C4'-P energy: -8.851 tors. eta vs tors. theta energy: -12.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -193.415593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.415593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.415593 (E_RNA) where: Base-Base interactions energy: -133.091 where: short stacking energy: -58.472 Base-Backbone interact. energy: 1.344 local terms energy: -61.668315 where: bonds (distance) C4'-P energy: -12.849 bonds (distance) P-C4' energy: -13.534 flat angles C4'-P-C4' energy: -14.419 flat angles P-C4'-P energy: -9.403 tors. eta vs tors. theta energy: -11.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -290.502201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.502201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.502201 (E_RNA) where: Base-Base interactions energy: -205.321 where: short stacking energy: -91.765 Base-Backbone interact. energy: -0.041 local terms energy: -85.140021 where: bonds (distance) C4'-P energy: -17.494 bonds (distance) P-C4' energy: -15.488 flat angles C4'-P-C4' energy: -17.691 flat angles P-C4'-P energy: -13.561 tors. eta vs tors. theta energy: -20.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -279.538339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.538339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.538339 (E_RNA) where: Base-Base interactions energy: -193.962 where: short stacking energy: -82.210 Base-Backbone interact. energy: -0.928 local terms energy: -84.648066 where: bonds (distance) C4'-P energy: -17.370 bonds (distance) P-C4' energy: -15.680 flat angles C4'-P-C4' energy: -19.978 flat angles P-C4'-P energy: -11.867 tors. eta vs tors. theta energy: -19.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -282.161768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.161768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.161768 (E_RNA) where: Base-Base interactions energy: -197.312 where: short stacking energy: -86.191 Base-Backbone interact. energy: -1.340 local terms energy: -83.509707 where: bonds (distance) C4'-P energy: -17.684 bonds (distance) P-C4' energy: -14.675 flat angles C4'-P-C4' energy: -17.698 flat angles P-C4'-P energy: -10.055 tors. eta vs tors. theta energy: -23.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -274.441311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.441311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.441311 (E_RNA) where: Base-Base interactions energy: -190.513 where: short stacking energy: -78.478 Base-Backbone interact. energy: -1.186 local terms energy: -82.741821 where: bonds (distance) C4'-P energy: -18.855 bonds (distance) P-C4' energy: -14.863 flat angles C4'-P-C4' energy: -17.072 flat angles P-C4'-P energy: -10.326 tors. eta vs tors. theta energy: -21.626 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: 351 Temperature: 1.100000 Total energy: -230.735309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.735309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.735309 (E_RNA) where: Base-Base interactions energy: -156.427 where: short stacking energy: -76.300 Base-Backbone interact. energy: -0.134 local terms energy: -74.174673 where: bonds (distance) C4'-P energy: -12.427 bonds (distance) P-C4' energy: -18.864 flat angles C4'-P-C4' energy: -16.714 flat angles P-C4'-P energy: -9.744 tors. eta vs tors. theta energy: -16.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -215.129932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.129932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.129932 (E_RNA) where: Base-Base interactions energy: -135.707 where: short stacking energy: -58.745 Base-Backbone interact. energy: 1.092 local terms energy: -80.514387 where: bonds (distance) C4'-P energy: -19.559 bonds (distance) P-C4' energy: -18.686 flat angles C4'-P-C4' energy: -18.582 flat angles P-C4'-P energy: -12.852 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: 7, replica: 4 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -214.142289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.142289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.142289 (E_RNA) where: Base-Base interactions energy: -137.576 where: short stacking energy: -58.657 Base-Backbone interact. energy: -0.673 local terms energy: -75.893570 where: bonds (distance) C4'-P energy: -16.281 bonds (distance) P-C4' energy: -17.537 flat angles C4'-P-C4' energy: -15.335 flat angles P-C4'-P energy: -11.690 tors. eta vs tors. theta energy: -15.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -214.162123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.162123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.162123 (E_RNA) where: Base-Base interactions energy: -147.600 where: short stacking energy: -73.054 Base-Backbone interact. energy: -0.104 local terms energy: -66.457973 where: bonds (distance) C4'-P energy: -8.654 bonds (distance) P-C4' energy: -19.647 flat angles C4'-P-C4' energy: -13.748 flat angles P-C4'-P energy: -7.304 tors. eta vs tors. theta energy: -17.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -188.280745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.280745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.280745 (E_RNA) where: Base-Base interactions energy: -119.226 where: short stacking energy: -57.896 Base-Backbone interact. energy: -0.042 local terms energy: -69.013141 where: bonds (distance) C4'-P energy: -15.126 bonds (distance) P-C4' energy: -20.147 flat angles C4'-P-C4' energy: -12.114 flat angles P-C4'-P energy: -9.949 tors. eta vs tors. theta energy: -11.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -198.721178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.721178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.721178 (E_RNA) where: Base-Base interactions energy: -139.452 where: short stacking energy: -61.436 Base-Backbone interact. energy: -0.144 local terms energy: -59.125102 where: bonds (distance) C4'-P energy: -12.459 bonds (distance) P-C4' energy: -16.030 flat angles C4'-P-C4' energy: -15.575 flat angles P-C4'-P energy: -9.133 tors. eta vs tors. theta energy: -5.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -288.631598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.631598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.631598 (E_RNA) where: Base-Base interactions energy: -205.406 where: short stacking energy: -88.849 Base-Backbone interact. energy: 0.099 local terms energy: -83.324615 where: bonds (distance) C4'-P energy: -15.664 bonds (distance) P-C4' energy: -17.981 flat angles C4'-P-C4' energy: -16.784 flat angles P-C4'-P energy: -10.185 tors. eta vs tors. theta energy: -22.712 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: 10 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -289.785553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.785553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.785553 (E_RNA) where: Base-Base interactions energy: -202.791 where: short stacking energy: -93.674 Base-Backbone interact. energy: -1.426 local terms energy: -85.569140 where: bonds (distance) C4'-P energy: -17.878 bonds (distance) P-C4' energy: -16.685 flat angles C4'-P-C4' energy: -18.846 flat angles P-C4'-P energy: -10.345 tors. eta vs tors. theta energy: -21.815 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: 3 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -268.953559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.953559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.953559 (E_RNA) where: Base-Base interactions energy: -186.238 where: short stacking energy: -74.658 Base-Backbone interact. energy: -1.876 local terms energy: -80.839831 where: bonds (distance) C4'-P energy: -16.336 bonds (distance) P-C4' energy: -16.896 flat angles C4'-P-C4' energy: -16.803 flat angles P-C4'-P energy: -11.656 tors. eta vs tors. theta energy: -19.149 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: 4, replica: 7 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -274.355991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.355991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.355991 (E_RNA) where: Base-Base interactions energy: -190.955 where: short stacking energy: -90.168 Base-Backbone interact. energy: -1.171 local terms energy: -82.230231 where: bonds (distance) C4'-P energy: -15.275 bonds (distance) P-C4' energy: -13.185 flat angles C4'-P-C4' energy: -17.447 flat angles P-C4'-P energy: -14.531 tors. eta vs tors. theta energy: -21.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -244.734197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.734197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.734197 (E_RNA) where: Base-Base interactions energy: -170.013 where: short stacking energy: -84.905 Base-Backbone interact. energy: -0.323 local terms energy: -74.398094 where: bonds (distance) C4'-P energy: -17.298 bonds (distance) P-C4' energy: -12.362 flat angles C4'-P-C4' energy: -15.848 flat angles P-C4'-P energy: -9.433 tors. eta vs tors. theta energy: -19.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -213.319434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.319434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.319434 (E_RNA) where: Base-Base interactions energy: -146.188 where: short stacking energy: -76.250 Base-Backbone interact. energy: 2.604 local terms energy: -69.735596 where: bonds (distance) C4'-P energy: -15.879 bonds (distance) P-C4' energy: -16.810 flat angles C4'-P-C4' energy: -15.602 flat angles P-C4'-P energy: -5.768 tors. eta vs tors. theta energy: -15.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -223.765792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.765792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.765792 (E_RNA) where: Base-Base interactions energy: -153.983 where: short stacking energy: -71.324 Base-Backbone interact. energy: -0.141 local terms energy: -69.642583 where: bonds (distance) C4'-P energy: -12.592 bonds (distance) P-C4' energy: -12.390 flat angles C4'-P-C4' energy: -13.364 flat angles P-C4'-P energy: -13.781 tors. eta vs tors. theta energy: -17.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -208.283496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.283496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.283496 (E_RNA) where: Base-Base interactions energy: -132.955 where: short stacking energy: -55.843 Base-Backbone interact. energy: -1.827 local terms energy: -73.501280 where: bonds (distance) C4'-P energy: -13.134 bonds (distance) P-C4' energy: -15.698 flat angles C4'-P-C4' energy: -16.982 flat angles P-C4'-P energy: -11.033 tors. eta vs tors. theta energy: -16.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -201.516196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.516196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.516196 (E_RNA) where: Base-Base interactions energy: -142.527 where: short stacking energy: -68.322 Base-Backbone interact. energy: -0.730 local terms energy: -58.259206 where: bonds (distance) C4'-P energy: -8.873 bonds (distance) P-C4' energy: -15.727 flat angles C4'-P-C4' energy: -7.541 flat angles P-C4'-P energy: -10.398 tors. eta vs tors. theta energy: -15.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -198.107616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.107616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.107616 (E_RNA) where: Base-Base interactions energy: -133.304 where: short stacking energy: -58.141 Base-Backbone interact. energy: -0.017 local terms energy: -64.786687 where: bonds (distance) C4'-P energy: -16.968 bonds (distance) P-C4' energy: -17.771 flat angles C4'-P-C4' energy: -14.616 flat angles P-C4'-P energy: -6.813 tors. eta vs tors. theta energy: -8.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -288.675591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.675591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.675591 (E_RNA) where: Base-Base interactions energy: -205.768 where: short stacking energy: -86.540 Base-Backbone interact. energy: -0.666 local terms energy: -82.241699 where: bonds (distance) C4'-P energy: -16.320 bonds (distance) P-C4' energy: -16.372 flat angles C4'-P-C4' energy: -15.508 flat angles P-C4'-P energy: -12.602 tors. eta vs tors. theta energy: -21.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -281.419488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.419488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.419488 (E_RNA) where: Base-Base interactions energy: -204.672 where: short stacking energy: -85.903 Base-Backbone interact. energy: -2.189 local terms energy: -74.558704 where: bonds (distance) C4'-P energy: -13.288 bonds (distance) P-C4' energy: -15.779 flat angles C4'-P-C4' energy: -17.390 flat angles P-C4'-P energy: -6.278 tors. eta vs tors. theta energy: -21.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -274.750314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.750314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.750314 (E_RNA) where: Base-Base interactions energy: -201.547 where: short stacking energy: -94.547 Base-Backbone interact. energy: -0.300 local terms energy: -72.904034 where: bonds (distance) C4'-P energy: -11.310 bonds (distance) P-C4' energy: -10.576 flat angles C4'-P-C4' energy: -16.850 flat angles P-C4'-P energy: -11.938 tors. eta vs tors. theta energy: -22.230 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: 7 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -269.921642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.921642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.921642 (E_RNA) where: Base-Base interactions energy: -190.969 where: short stacking energy: -86.566 Base-Backbone interact. energy: -0.306 local terms energy: -78.647120 where: bonds (distance) C4'-P energy: -17.826 bonds (distance) P-C4' energy: -15.276 flat angles C4'-P-C4' energy: -17.983 flat angles P-C4'-P energy: -8.957 tors. eta vs tors. theta energy: -18.605 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: 5, replica: 9 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -243.203757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.203757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.203757 (E_RNA) where: Base-Base interactions energy: -173.465 where: short stacking energy: -78.531 Base-Backbone interact. energy: -0.218 local terms energy: -69.520737 where: bonds (distance) C4'-P energy: -13.428 bonds (distance) P-C4' energy: -15.609 flat angles C4'-P-C4' energy: -17.749 flat angles P-C4'-P energy: -4.886 tors. eta vs tors. theta energy: -17.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -210.462353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.462353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.462353 (E_RNA) where: Base-Base interactions energy: -137.729 where: short stacking energy: -76.847 Base-Backbone interact. energy: -0.278 local terms energy: -72.455370 where: bonds (distance) C4'-P energy: -9.717 bonds (distance) P-C4' energy: -20.120 flat angles C4'-P-C4' energy: -18.135 flat angles P-C4'-P energy: -10.327 tors. eta vs tors. theta energy: -14.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -231.051634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.051634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.051634 (E_RNA) where: Base-Base interactions energy: -152.105 where: short stacking energy: -74.233 Base-Backbone interact. energy: 2.217 local terms energy: -81.163154 where: bonds (distance) C4'-P energy: -17.593 bonds (distance) P-C4' energy: -18.306 flat angles C4'-P-C4' energy: -13.734 flat angles P-C4'-P energy: -12.584 tors. eta vs tors. theta energy: -18.945 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: 353 Temperature: 1.250000 Total energy: -220.187910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.187910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.187910 (E_RNA) where: Base-Base interactions energy: -149.982 where: short stacking energy: -78.604 Base-Backbone interact. energy: -0.220 local terms energy: -69.985747 where: bonds (distance) C4'-P energy: -16.628 bonds (distance) P-C4' energy: -11.221 flat angles C4'-P-C4' energy: -17.870 flat angles P-C4'-P energy: -3.810 tors. eta vs tors. theta energy: -20.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -213.504920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.504920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.504920 (E_RNA) where: Base-Base interactions energy: -143.357 where: short stacking energy: -72.943 Base-Backbone interact. energy: -0.102 local terms energy: -70.046446 where: bonds (distance) C4'-P energy: -15.938 bonds (distance) P-C4' energy: -14.316 flat angles C4'-P-C4' energy: -14.270 flat angles P-C4'-P energy: -9.077 tors. eta vs tors. theta energy: -16.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -189.939843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.939843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.939843 (E_RNA) where: Base-Base interactions energy: -128.600 where: short stacking energy: -57.969 Base-Backbone interact. energy: 0.132 local terms energy: -61.472222 where: bonds (distance) C4'-P energy: -9.267 bonds (distance) P-C4' energy: -14.670 flat angles C4'-P-C4' energy: -14.542 flat angles P-C4'-P energy: -12.421 tors. eta vs tors. theta energy: -10.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -291.633742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.633742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.633742 (E_RNA) where: Base-Base interactions energy: -203.770 where: short stacking energy: -93.129 Base-Backbone interact. energy: -1.104 local terms energy: -86.760351 where: bonds (distance) C4'-P energy: -16.861 bonds (distance) P-C4' energy: -19.165 flat angles C4'-P-C4' energy: -18.518 flat angles P-C4'-P energy: -9.710 tors. eta vs tors. theta energy: -22.507 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: 1 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -283.003766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.003766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.003766 (E_RNA) where: Base-Base interactions energy: -197.197 where: short stacking energy: -83.472 Base-Backbone interact. energy: -1.460 local terms energy: -84.346681 where: bonds (distance) C4'-P energy: -17.554 bonds (distance) P-C4' energy: -17.318 flat angles C4'-P-C4' energy: -19.342 flat angles P-C4'-P energy: -9.740 tors. eta vs tors. theta energy: -20.392 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: 7 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -266.966292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.966292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.966292 (E_RNA) where: Base-Base interactions energy: -179.477 where: short stacking energy: -75.090 Base-Backbone interact. energy: -1.129 local terms energy: -86.360400 where: bonds (distance) C4'-P energy: -18.401 bonds (distance) P-C4' energy: -20.405 flat angles C4'-P-C4' energy: -20.183 flat angles P-C4'-P energy: -7.945 tors. eta vs tors. theta energy: -19.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -261.905680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.905680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.905680 (E_RNA) where: Base-Base interactions energy: -178.589 where: short stacking energy: -80.638 Base-Backbone interact. energy: -0.195 local terms energy: -83.121950 where: bonds (distance) C4'-P energy: -18.325 bonds (distance) P-C4' energy: -19.221 flat angles C4'-P-C4' energy: -18.445 flat angles P-C4'-P energy: -10.827 tors. eta vs tors. theta energy: -16.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -233.079539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.079539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.079539 (E_RNA) where: Base-Base interactions energy: -158.500 where: short stacking energy: -85.678 Base-Backbone interact. energy: -1.645 local terms energy: -72.935145 where: bonds (distance) C4'-P energy: -11.706 bonds (distance) P-C4' energy: -17.005 flat angles C4'-P-C4' energy: -16.401 flat angles P-C4'-P energy: -7.012 tors. eta vs tors. theta energy: -20.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -218.337183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.337183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.337183 (E_RNA) where: Base-Base interactions energy: -145.368 where: short stacking energy: -64.816 Base-Backbone interact. energy: 0.758 local terms energy: -73.727740 where: bonds (distance) C4'-P energy: -16.712 bonds (distance) P-C4' energy: -14.515 flat angles C4'-P-C4' energy: -19.375 flat angles P-C4'-P energy: -9.996 tors. eta vs tors. theta energy: -13.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -209.226914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.226914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.226914 (E_RNA) where: Base-Base interactions energy: -136.891 where: short stacking energy: -67.067 Base-Backbone interact. energy: -1.058 local terms energy: -71.277251 where: bonds (distance) C4'-P energy: -14.721 bonds (distance) P-C4' energy: -18.319 flat angles C4'-P-C4' energy: -15.851 flat angles P-C4'-P energy: -6.602 tors. eta vs tors. theta energy: -15.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -222.281049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.281049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.281049 (E_RNA) where: Base-Base interactions energy: -143.322 where: short stacking energy: -66.712 Base-Backbone interact. energy: 0.035 local terms energy: -78.993876 where: bonds (distance) C4'-P energy: -15.987 bonds (distance) P-C4' energy: -12.840 flat angles C4'-P-C4' energy: -19.177 flat angles P-C4'-P energy: -10.301 tors. eta vs tors. theta energy: -20.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -203.558718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.558718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.558718 (E_RNA) where: Base-Base interactions energy: -142.194 where: short stacking energy: -67.839 Base-Backbone interact. energy: -0.061 local terms energy: -61.303662 where: bonds (distance) C4'-P energy: -14.222 bonds (distance) P-C4' energy: -16.534 flat angles C4'-P-C4' energy: -10.975 flat angles P-C4'-P energy: -5.829 tors. eta vs tors. theta energy: -13.745 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: 10, replica: 6 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -187.674664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.674664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.674664 (E_RNA) where: Base-Base interactions energy: -125.291 where: short stacking energy: -49.711 Base-Backbone interact. energy: -0.373 local terms energy: -62.010051 where: bonds (distance) C4'-P energy: -10.347 bonds (distance) P-C4' energy: -8.103 flat angles C4'-P-C4' energy: -17.396 flat angles P-C4'-P energy: -11.525 tors. eta vs tors. theta energy: -14.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -288.747662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.747662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.747662 (E_RNA) where: Base-Base interactions energy: -205.274 where: short stacking energy: -85.368 Base-Backbone interact. energy: -1.332 local terms energy: -82.141937 where: bonds (distance) C4'-P energy: -18.654 bonds (distance) P-C4' energy: -16.399 flat angles C4'-P-C4' energy: -20.188 flat angles P-C4'-P energy: -6.890 tors. eta vs tors. theta energy: -20.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -283.584507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.584507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.584507 (E_RNA) where: Base-Base interactions energy: -199.168 where: short stacking energy: -87.760 Base-Backbone interact. energy: -0.978 local terms energy: -83.438955 where: bonds (distance) C4'-P energy: -14.856 bonds (distance) P-C4' energy: -15.659 flat angles C4'-P-C4' energy: -18.391 flat angles P-C4'-P energy: -12.424 tors. eta vs tors. theta energy: -22.109 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: 3, replica: 7 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -266.852984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.852984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.852984 (E_RNA) where: Base-Base interactions energy: -185.122 where: short stacking energy: -74.587 Base-Backbone interact. energy: -2.177 local terms energy: -79.553683 where: bonds (distance) C4'-P energy: -16.588 bonds (distance) P-C4' energy: -14.228 flat angles C4'-P-C4' energy: -14.753 flat angles P-C4'-P energy: -11.974 tors. eta vs tors. theta energy: -22.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -255.243403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.243403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.243403 (E_RNA) where: Base-Base interactions energy: -175.935 where: short stacking energy: -80.305 Base-Backbone interact. energy: -0.131 local terms energy: -79.176694 where: bonds (distance) C4'-P energy: -16.164 bonds (distance) P-C4' energy: -19.831 flat angles C4'-P-C4' energy: -16.090 flat angles P-C4'-P energy: -9.323 tors. eta vs tors. theta energy: -17.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -258.722998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.722998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.722998 (E_RNA) where: Base-Base interactions energy: -175.994 where: short stacking energy: -95.306 Base-Backbone interact. energy: 1.012 local terms energy: -83.741113 where: bonds (distance) C4'-P energy: -14.115 bonds (distance) P-C4' energy: -17.051 flat angles C4'-P-C4' energy: -19.127 flat angles P-C4'-P energy: -9.375 tors. eta vs tors. theta energy: -24.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -213.276925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.276925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.276925 (E_RNA) where: Base-Base interactions energy: -149.332 where: short stacking energy: -71.980 Base-Backbone interact. energy: -0.485 local terms energy: -63.460378 where: bonds (distance) C4'-P energy: -13.108 bonds (distance) P-C4' energy: -15.660 flat angles C4'-P-C4' energy: -12.575 flat angles P-C4'-P energy: -8.499 tors. eta vs tors. theta energy: -13.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -219.648086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.648086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.648086 (E_RNA) where: Base-Base interactions energy: -149.906 where: short stacking energy: -79.864 Base-Backbone interact. energy: -0.047 local terms energy: -69.695708 where: bonds (distance) C4'-P energy: -12.249 bonds (distance) P-C4' energy: -16.328 flat angles C4'-P-C4' energy: -16.894 flat angles P-C4'-P energy: -9.946 tors. eta vs tors. theta energy: -14.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -217.893346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.893346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.893346 (E_RNA) where: Base-Base interactions energy: -146.545 where: short stacking energy: -69.168 Base-Backbone interact. energy: -0.022 local terms energy: -71.326759 where: bonds (distance) C4'-P energy: -15.503 bonds (distance) P-C4' energy: -10.791 flat angles C4'-P-C4' energy: -18.200 flat angles P-C4'-P energy: -6.343 tors. eta vs tors. theta energy: -20.490 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: 2 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -197.460307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.460307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.460307 (E_RNA) where: Base-Base interactions energy: -129.710 where: short stacking energy: -60.800 Base-Backbone interact. energy: -0.401 local terms energy: -67.349807 where: bonds (distance) C4'-P energy: -13.738 bonds (distance) P-C4' energy: -16.195 flat angles C4'-P-C4' energy: -15.993 flat angles P-C4'-P energy: -7.269 tors. eta vs tors. theta energy: -14.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -193.150115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.150115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.150115 (E_RNA) where: Base-Base interactions energy: -123.182 where: short stacking energy: -54.856 Base-Backbone interact. energy: -0.163 local terms energy: -69.805069 where: bonds (distance) C4'-P energy: -15.672 bonds (distance) P-C4' energy: -15.271 flat angles C4'-P-C4' energy: -15.396 flat angles P-C4'-P energy: -8.287 tors. eta vs tors. theta energy: -15.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -290.448046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.448046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.448046 (E_RNA) where: Base-Base interactions energy: -205.530 where: short stacking energy: -94.722 Base-Backbone interact. energy: 0.015 local terms energy: -84.932895 where: bonds (distance) C4'-P energy: -16.094 bonds (distance) P-C4' energy: -16.501 flat angles C4'-P-C4' energy: -18.116 flat angles P-C4'-P energy: -11.447 tors. eta vs tors. theta energy: -22.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -284.550035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.550035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.550035 (E_RNA) where: Base-Base interactions energy: -201.870 where: short stacking energy: -90.018 Base-Backbone interact. energy: -1.223 local terms energy: -81.456790 where: bonds (distance) C4'-P energy: -13.412 bonds (distance) P-C4' energy: -18.957 flat angles C4'-P-C4' energy: -17.227 flat angles P-C4'-P energy: -12.239 tors. eta vs tors. theta energy: -19.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -259.763292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.763292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.763292 (E_RNA) where: Base-Base interactions energy: -182.530 where: short stacking energy: -80.240 Base-Backbone interact. energy: -0.618 local terms energy: -76.615156 where: bonds (distance) C4'-P energy: -16.284 bonds (distance) P-C4' energy: -17.872 flat angles C4'-P-C4' energy: -14.386 flat angles P-C4'-P energy: -9.350 tors. eta vs tors. theta energy: -18.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -245.394903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.394903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.394903 (E_RNA) where: Base-Base interactions energy: -167.638 where: short stacking energy: -73.438 Base-Backbone interact. energy: -0.870 local terms energy: -76.886478 where: bonds (distance) C4'-P energy: -16.256 bonds (distance) P-C4' energy: -18.552 flat angles C4'-P-C4' energy: -18.074 flat angles P-C4'-P energy: -10.598 tors. eta vs tors. theta energy: -13.407 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: 356 Temperature: 1.100000 Total energy: -229.173156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.173156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.173156 (E_RNA) where: Base-Base interactions energy: -151.164 where: short stacking energy: -77.097 Base-Backbone interact. energy: -0.168 local terms energy: -77.841847 where: bonds (distance) C4'-P energy: -14.997 bonds (distance) P-C4' energy: -17.920 flat angles C4'-P-C4' energy: -18.692 flat angles P-C4'-P energy: -10.095 tors. eta vs tors. theta energy: -16.137 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: 4 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -237.142782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.142782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.142782 (E_RNA) where: Base-Base interactions energy: -153.146 where: short stacking energy: -82.653 Base-Backbone interact. energy: -0.007 local terms energy: -83.989135 where: bonds (distance) C4'-P energy: -16.909 bonds (distance) P-C4' energy: -17.914 flat angles C4'-P-C4' energy: -17.179 flat angles P-C4'-P energy: -10.103 tors. eta vs tors. theta energy: -21.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -218.711216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.711216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.711216 (E_RNA) where: Base-Base interactions energy: -152.434 where: short stacking energy: -71.809 Base-Backbone interact. energy: -0.006 local terms energy: -66.271641 where: bonds (distance) C4'-P energy: -16.210 bonds (distance) P-C4' energy: -18.816 flat angles C4'-P-C4' energy: -17.074 flat angles P-C4'-P energy: -1.944 tors. eta vs tors. theta energy: -12.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -224.757847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.757847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.757847 (E_RNA) where: Base-Base interactions energy: -154.322 where: short stacking energy: -73.292 Base-Backbone interact. energy: -0.131 local terms energy: -70.305554 where: bonds (distance) C4'-P energy: -15.631 bonds (distance) P-C4' energy: -13.353 flat angles C4'-P-C4' energy: -17.201 flat angles P-C4'-P energy: -5.956 tors. eta vs tors. theta energy: -18.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -218.569960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.569960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.569960 (E_RNA) where: Base-Base interactions energy: -146.182 where: short stacking energy: -75.469 Base-Backbone interact. energy: -0.332 local terms energy: -72.056339 where: bonds (distance) C4'-P energy: -10.286 bonds (distance) P-C4' energy: -17.163 flat angles C4'-P-C4' energy: -17.983 flat angles P-C4'-P energy: -5.870 tors. eta vs tors. theta energy: -20.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -205.841060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.841060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.841060 (E_RNA) where: Base-Base interactions energy: -129.840 where: short stacking energy: -56.494 Base-Backbone interact. energy: -1.260 local terms energy: -74.741320 where: bonds (distance) C4'-P energy: -15.490 bonds (distance) P-C4' energy: -19.560 flat angles C4'-P-C4' energy: -17.911 flat angles P-C4'-P energy: -10.181 tors. eta vs tors. theta energy: -11.599 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: 1 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -287.239347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.239347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.239347 (E_RNA) where: Base-Base interactions energy: -204.025 where: short stacking energy: -92.104 Base-Backbone interact. energy: -2.065 local terms energy: -81.149899 where: bonds (distance) C4'-P energy: -16.434 bonds (distance) P-C4' energy: -13.699 flat angles C4'-P-C4' energy: -20.686 flat angles P-C4'-P energy: -7.919 tors. eta vs tors. theta energy: -22.411 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: 357 Temperature: 0.950000 Total energy: -279.821051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.821051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.821051 (E_RNA) where: Base-Base interactions energy: -196.440 where: short stacking energy: -79.774 Base-Backbone interact. energy: -0.811 local terms energy: -82.569942 where: bonds (distance) C4'-P energy: -16.578 bonds (distance) P-C4' energy: -19.188 flat angles C4'-P-C4' energy: -17.639 flat angles P-C4'-P energy: -10.475 tors. eta vs tors. theta energy: -18.689 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: 7 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -277.341653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.341653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.341653 (E_RNA) where: Base-Base interactions energy: -198.379 where: short stacking energy: -87.986 Base-Backbone interact. energy: -0.205 local terms energy: -78.757139 where: bonds (distance) C4'-P energy: -16.442 bonds (distance) P-C4' energy: -17.061 flat angles C4'-P-C4' energy: -14.143 flat angles P-C4'-P energy: -10.908 tors. eta vs tors. theta energy: -20.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -263.693957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.693957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.693957 (E_RNA) where: Base-Base interactions energy: -186.588 where: short stacking energy: -81.386 Base-Backbone interact. energy: 0.190 local terms energy: -77.295749 where: bonds (distance) C4'-P energy: -17.551 bonds (distance) P-C4' energy: -15.356 flat angles C4'-P-C4' energy: -17.958 flat angles P-C4'-P energy: -8.000 tors. eta vs tors. theta energy: -18.430 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: 5 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -241.599561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.599561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.599561 (E_RNA) where: Base-Base interactions energy: -157.210 where: short stacking energy: -85.732 Base-Backbone interact. energy: -0.005 local terms energy: -84.383790 where: bonds (distance) C4'-P energy: -15.809 bonds (distance) P-C4' energy: -19.518 flat angles C4'-P-C4' energy: -18.655 flat angles P-C4'-P energy: -9.717 tors. eta vs tors. theta energy: -20.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -231.652135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.652135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.652135 (E_RNA) where: Base-Base interactions energy: -154.190 where: short stacking energy: -81.333 Base-Backbone interact. energy: -0.793 local terms energy: -76.669759 where: bonds (distance) C4'-P energy: -13.416 bonds (distance) P-C4' energy: -16.205 flat angles C4'-P-C4' energy: -15.557 flat angles P-C4'-P energy: -11.336 tors. eta vs tors. theta energy: -20.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -210.797449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.797449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.797449 (E_RNA) where: Base-Base interactions energy: -148.310 where: short stacking energy: -65.848 Base-Backbone interact. energy: -0.280 local terms energy: -62.207443 where: bonds (distance) C4'-P energy: -13.209 bonds (distance) P-C4' energy: -13.795 flat angles C4'-P-C4' energy: -13.095 flat angles P-C4'-P energy: -9.944 tors. eta vs tors. theta energy: -12.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -206.131290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.131290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.131290 (E_RNA) where: Base-Base interactions energy: -140.681 where: short stacking energy: -56.139 Base-Backbone interact. energy: -0.257 local terms energy: -65.194161 where: bonds (distance) C4'-P energy: -11.572 bonds (distance) P-C4' energy: -16.737 flat angles C4'-P-C4' energy: -14.252 flat angles P-C4'-P energy: -9.333 tors. eta vs tors. theta energy: -13.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -213.105088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.105088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.105088 (E_RNA) where: Base-Base interactions energy: -141.203 where: short stacking energy: -66.467 Base-Backbone interact. energy: 1.880 local terms energy: -73.782539 where: bonds (distance) C4'-P energy: -17.124 bonds (distance) P-C4' energy: -15.354 flat angles C4'-P-C4' energy: -15.972 flat angles P-C4'-P energy: -11.403 tors. eta vs tors. theta energy: -13.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -198.110690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.110690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.110690 (E_RNA) where: Base-Base interactions energy: -136.696 where: short stacking energy: -69.695 Base-Backbone interact. energy: -0.059 local terms energy: -61.355747 where: bonds (distance) C4'-P energy: -10.275 bonds (distance) P-C4' energy: -17.358 flat angles C4'-P-C4' energy: -13.819 flat angles P-C4'-P energy: -8.126 tors. eta vs tors. theta energy: -11.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -288.018728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.018728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.018728 (E_RNA) where: Base-Base interactions energy: -209.571 where: short stacking energy: -91.150 Base-Backbone interact. energy: -0.899 local terms energy: -77.549397 where: bonds (distance) C4'-P energy: -12.535 bonds (distance) P-C4' energy: -15.634 flat angles C4'-P-C4' energy: -18.964 flat angles P-C4'-P energy: -9.932 tors. eta vs tors. theta energy: -20.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -288.194290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.194290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.194290 (E_RNA) where: Base-Base interactions energy: -197.975 where: short stacking energy: -89.885 Base-Backbone interact. energy: -2.341 local terms energy: -87.878520 where: bonds (distance) C4'-P energy: -16.476 bonds (distance) P-C4' energy: -15.716 flat angles C4'-P-C4' energy: -19.098 flat angles P-C4'-P energy: -13.978 tors. eta vs tors. theta energy: -22.611 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: 10 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -274.494581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.494581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.494581 (E_RNA) where: Base-Base interactions energy: -202.381 where: short stacking energy: -90.602 Base-Backbone interact. energy: -2.402 local terms energy: -69.711993 where: bonds (distance) C4'-P energy: -14.057 bonds (distance) P-C4' energy: -15.240 flat angles C4'-P-C4' energy: -18.325 flat angles P-C4'-P energy: -4.395 tors. eta vs tors. theta energy: -17.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -267.347114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.347114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.347114 (E_RNA) where: Base-Base interactions energy: -186.603 where: short stacking energy: -79.035 Base-Backbone interact. energy: -0.485 local terms energy: -80.259539 where: bonds (distance) C4'-P energy: -15.870 bonds (distance) P-C4' energy: -17.570 flat angles C4'-P-C4' energy: -17.911 flat angles P-C4'-P energy: -7.099 tors. eta vs tors. theta energy: -21.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -247.883972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.883972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.883972 (E_RNA) where: Base-Base interactions energy: -164.962 where: short stacking energy: -81.434 Base-Backbone interact. energy: -0.235 local terms energy: -82.686909 where: bonds (distance) C4'-P energy: -16.086 bonds (distance) P-C4' energy: -16.272 flat angles C4'-P-C4' energy: -19.501 flat angles P-C4'-P energy: -7.622 tors. eta vs tors. theta energy: -23.205 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: 6, replica: 4 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -238.833790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.833790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.833790 (E_RNA) where: Base-Base interactions energy: -162.904 where: short stacking energy: -73.818 Base-Backbone interact. energy: -0.584 local terms energy: -75.346264 where: bonds (distance) C4'-P energy: -15.961 bonds (distance) P-C4' energy: -19.855 flat angles C4'-P-C4' energy: -16.598 flat angles P-C4'-P energy: -7.264 tors. eta vs tors. theta energy: -15.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -220.558408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.558408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.558408 (E_RNA) where: Base-Base interactions energy: -145.488 where: short stacking energy: -65.222 Base-Backbone interact. energy: -0.012 local terms energy: -75.058964 where: bonds (distance) C4'-P energy: -15.899 bonds (distance) P-C4' energy: -15.766 flat angles C4'-P-C4' energy: -16.394 flat angles P-C4'-P energy: -10.881 tors. eta vs tors. theta energy: -16.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -215.088829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.088829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.088829 (E_RNA) where: Base-Base interactions energy: -142.397 where: short stacking energy: -68.979 Base-Backbone interact. energy: -0.033 local terms energy: -72.658914 where: bonds (distance) C4'-P energy: -16.670 bonds (distance) P-C4' energy: -14.376 flat angles C4'-P-C4' energy: -17.753 flat angles P-C4'-P energy: -8.658 tors. eta vs tors. theta energy: -15.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -222.442852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.442852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.442852 (E_RNA) where: Base-Base interactions energy: -148.227 where: short stacking energy: -60.790 Base-Backbone interact. energy: -1.138 local terms energy: -73.077505 where: bonds (distance) C4'-P energy: -11.721 bonds (distance) P-C4' energy: -16.844 flat angles C4'-P-C4' energy: -18.457 flat angles P-C4'-P energy: -10.758 tors. eta vs tors. theta energy: -15.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -182.217228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.217228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.217228 (E_RNA) where: Base-Base interactions energy: -121.525 where: short stacking energy: -57.518 Base-Backbone interact. energy: -0.432 local terms energy: -60.259439 where: bonds (distance) C4'-P energy: -10.744 bonds (distance) P-C4' energy: -13.410 flat angles C4'-P-C4' energy: -16.207 flat angles P-C4'-P energy: -12.289 tors. eta vs tors. theta energy: -7.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -304.753493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.753493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.753493 (E_RNA) where: Base-Base interactions energy: -210.339 where: short stacking energy: -91.708 Base-Backbone interact. energy: -2.952 local terms energy: -91.461872 where: bonds (distance) C4'-P energy: -20.876 bonds (distance) P-C4' energy: -15.031 flat angles C4'-P-C4' energy: -19.612 flat angles P-C4'-P energy: -12.700 tors. eta vs tors. theta energy: -23.243 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: 2, replica: 10 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -279.141672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.141672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.141672 (E_RNA) where: Base-Base interactions energy: -200.124 where: short stacking energy: -93.360 Base-Backbone interact. energy: -0.890 local terms energy: -78.127842 where: bonds (distance) C4'-P energy: -14.766 bonds (distance) P-C4' energy: -10.534 flat angles C4'-P-C4' energy: -20.463 flat angles P-C4'-P energy: -11.524 tors. eta vs tors. theta energy: -20.840 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: 3, replica: 3 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -280.958874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.958874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.958874 (E_RNA) where: Base-Base interactions energy: -196.263 where: short stacking energy: -88.538 Base-Backbone interact. energy: -0.315 local terms energy: -84.380555 where: bonds (distance) C4'-P energy: -14.277 bonds (distance) P-C4' energy: -18.794 flat angles C4'-P-C4' energy: -16.506 flat angles P-C4'-P energy: -11.114 tors. eta vs tors. theta energy: -23.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -238.723754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.723754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.723754 (E_RNA) where: Base-Base interactions energy: -150.561 where: short stacking energy: -77.982 Base-Backbone interact. energy: -0.518 local terms energy: -87.644160 where: bonds (distance) C4'-P energy: -18.757 bonds (distance) P-C4' energy: -17.504 flat angles C4'-P-C4' energy: -17.635 flat angles P-C4'-P energy: -15.626 tors. eta vs tors. theta energy: -18.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -253.948838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.948838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.948838 (E_RNA) where: Base-Base interactions energy: -176.587 where: short stacking energy: -87.426 Base-Backbone interact. energy: -0.268 local terms energy: -77.094317 where: bonds (distance) C4'-P energy: -13.381 bonds (distance) P-C4' energy: -15.085 flat angles C4'-P-C4' energy: -17.909 flat angles P-C4'-P energy: -6.131 tors. eta vs tors. theta energy: -24.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -216.469808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.469808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.469808 (E_RNA) where: Base-Base interactions energy: -141.041 where: short stacking energy: -72.460 Base-Backbone interact. energy: -0.033 local terms energy: -75.395627 where: bonds (distance) C4'-P energy: -13.403 bonds (distance) P-C4' energy: -18.971 flat angles C4'-P-C4' energy: -15.088 flat angles P-C4'-P energy: -12.117 tors. eta vs tors. theta energy: -15.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -228.783881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.783881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.783881 (E_RNA) where: Base-Base interactions energy: -152.492 where: short stacking energy: -68.648 Base-Backbone interact. energy: 0.096 local terms energy: -76.388014 where: bonds (distance) C4'-P energy: -18.856 bonds (distance) P-C4' energy: -19.811 flat angles C4'-P-C4' energy: -11.390 flat angles P-C4'-P energy: -12.323 tors. eta vs tors. theta energy: -14.009 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: 6 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -214.125750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.125750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.125750 (E_RNA) where: Base-Base interactions energy: -146.326 where: short stacking energy: -59.484 Base-Backbone interact. energy: -0.191 local terms energy: -67.608696 where: bonds (distance) C4'-P energy: -16.494 bonds (distance) P-C4' energy: -14.757 flat angles C4'-P-C4' energy: -15.045 flat angles P-C4'-P energy: -10.775 tors. eta vs tors. theta energy: -10.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -204.445143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.445143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.445143 (E_RNA) where: Base-Base interactions energy: -135.887 where: short stacking energy: -53.411 Base-Backbone interact. energy: -0.020 local terms energy: -68.538062 where: bonds (distance) C4'-P energy: -13.864 bonds (distance) P-C4' energy: -16.272 flat angles C4'-P-C4' energy: -19.276 flat angles P-C4'-P energy: -5.277 tors. eta vs tors. theta energy: -13.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -195.777294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.777294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.777294 (E_RNA) where: Base-Base interactions energy: -126.945 where: short stacking energy: -50.707 Base-Backbone interact. energy: -0.240 local terms energy: -68.591927 where: bonds (distance) C4'-P energy: -14.894 bonds (distance) P-C4' energy: -14.586 flat angles C4'-P-C4' energy: -17.025 flat angles P-C4'-P energy: -7.697 tors. eta vs tors. theta energy: -14.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -294.408127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.408127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.408127 (E_RNA) where: Base-Base interactions energy: -211.816 where: short stacking energy: -92.446 Base-Backbone interact. energy: -1.528 local terms energy: -81.063826 where: bonds (distance) C4'-P energy: -18.872 bonds (distance) P-C4' energy: -17.121 flat angles C4'-P-C4' energy: -16.829 flat angles P-C4'-P energy: -4.835 tors. eta vs tors. theta energy: -23.407 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: 10 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -278.901345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.901345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.901345 (E_RNA) where: Base-Base interactions energy: -196.941 where: short stacking energy: -76.699 Base-Backbone interact. energy: -0.297 local terms energy: -81.663093 where: bonds (distance) C4'-P energy: -17.186 bonds (distance) P-C4' energy: -15.061 flat angles C4'-P-C4' energy: -19.572 flat angles P-C4'-P energy: -13.433 tors. eta vs tors. theta energy: -16.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -229.599342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.599342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.599342 (E_RNA) where: Base-Base interactions energy: -156.099 where: short stacking energy: -76.889 Base-Backbone interact. energy: 1.742 local terms energy: -75.241665 where: bonds (distance) C4'-P energy: -16.587 bonds (distance) P-C4' energy: -17.816 flat angles C4'-P-C4' energy: -14.982 flat angles P-C4'-P energy: -9.408 tors. eta vs tors. theta energy: -16.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -273.571597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.571597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.571597 (E_RNA) where: Base-Base interactions energy: -198.059 where: short stacking energy: -86.431 Base-Backbone interact. energy: -0.500 local terms energy: -75.012550 where: bonds (distance) C4'-P energy: -13.009 bonds (distance) P-C4' energy: -14.838 flat angles C4'-P-C4' energy: -17.902 flat angles P-C4'-P energy: -9.810 tors. eta vs tors. theta energy: -19.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -227.105577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.105577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.105577 (E_RNA) where: Base-Base interactions energy: -160.727 where: short stacking energy: -74.572 Base-Backbone interact. energy: 0.255 local terms energy: -66.632735 where: bonds (distance) C4'-P energy: -13.308 bonds (distance) P-C4' energy: -17.244 flat angles C4'-P-C4' energy: -12.189 flat angles P-C4'-P energy: -9.522 tors. eta vs tors. theta energy: -14.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -227.519449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.519449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.519449 (E_RNA) where: Base-Base interactions energy: -147.484 where: short stacking energy: -68.364 Base-Backbone interact. energy: -0.107 local terms energy: -79.928929 where: bonds (distance) C4'-P energy: -17.887 bonds (distance) P-C4' energy: -19.096 flat angles C4'-P-C4' energy: -18.241 flat angles P-C4'-P energy: -9.181 tors. eta vs tors. theta energy: -15.524 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: 6 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -213.038470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.038470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.038470 (E_RNA) where: Base-Base interactions energy: -151.946 where: short stacking energy: -72.499 Base-Backbone interact. energy: -0.004 local terms energy: -61.088496 where: bonds (distance) C4'-P energy: -11.653 bonds (distance) P-C4' energy: -14.571 flat angles C4'-P-C4' energy: -15.081 flat angles P-C4'-P energy: -4.197 tors. eta vs tors. theta energy: -15.586 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: 4 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -215.218554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.218554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.218554 (E_RNA) where: Base-Base interactions energy: -144.958 where: short stacking energy: -69.894 Base-Backbone interact. energy: 2.966 local terms energy: -73.226107 where: bonds (distance) C4'-P energy: -13.488 bonds (distance) P-C4' energy: -16.012 flat angles C4'-P-C4' energy: -13.360 flat angles P-C4'-P energy: -12.971 tors. eta vs tors. theta energy: -17.396 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: 2 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -211.410425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.410425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.410425 (E_RNA) where: Base-Base interactions energy: -134.523 where: short stacking energy: -62.679 Base-Backbone interact. energy: -0.094 local terms energy: -76.793100 where: bonds (distance) C4'-P energy: -18.640 bonds (distance) P-C4' energy: -15.643 flat angles C4'-P-C4' energy: -16.088 flat angles P-C4'-P energy: -10.417 tors. eta vs tors. theta energy: -16.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -202.239360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.239360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.239360 (E_RNA) where: Base-Base interactions energy: -132.057 where: short stacking energy: -58.862 Base-Backbone interact. energy: 0.107 local terms energy: -70.289451 where: bonds (distance) C4'-P energy: -14.185 bonds (distance) P-C4' energy: -18.136 flat angles C4'-P-C4' energy: -17.182 flat angles P-C4'-P energy: -7.892 tors. eta vs tors. theta energy: -12.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -292.002516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.002516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.002516 (E_RNA) where: Base-Base interactions energy: -206.288 where: short stacking energy: -88.814 Base-Backbone interact. energy: -1.827 local terms energy: -83.887199 where: bonds (distance) C4'-P energy: -16.790 bonds (distance) P-C4' energy: -18.602 flat angles C4'-P-C4' energy: -19.034 flat angles P-C4'-P energy: -6.775 tors. eta vs tors. theta energy: -22.687 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: 5 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -251.781587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.781587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.781587 (E_RNA) where: Base-Base interactions energy: -168.128 where: short stacking energy: -77.961 Base-Backbone interact. energy: -0.158 local terms energy: -83.495345 where: bonds (distance) C4'-P energy: -19.050 bonds (distance) P-C4' energy: -17.987 flat angles C4'-P-C4' energy: -19.556 flat angles P-C4'-P energy: -10.939 tors. eta vs tors. theta energy: -15.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -274.332346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.332346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.332346 (E_RNA) where: Base-Base interactions energy: -200.012 where: short stacking energy: -76.799 Base-Backbone interact. energy: -0.376 local terms energy: -73.944304 where: bonds (distance) C4'-P energy: -16.361 bonds (distance) P-C4' energy: -7.368 flat angles C4'-P-C4' energy: -17.279 flat angles P-C4'-P energy: -10.800 tors. eta vs tors. theta energy: -22.136 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: 3 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -272.688189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.688189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.688189 (E_RNA) where: Base-Base interactions energy: -189.222 where: short stacking energy: -75.941 Base-Backbone interact. energy: -0.756 local terms energy: -82.711033 where: bonds (distance) C4'-P energy: -17.354 bonds (distance) P-C4' energy: -17.088 flat angles C4'-P-C4' energy: -21.446 flat angles P-C4'-P energy: -9.653 tors. eta vs tors. theta energy: -17.169 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: 361 Temperature: 1.100000 Total energy: -233.826778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.826778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.826778 (E_RNA) where: Base-Base interactions energy: -165.447 where: short stacking energy: -80.238 Base-Backbone interact. energy: -0.367 local terms energy: -68.012085 where: bonds (distance) C4'-P energy: -15.093 bonds (distance) P-C4' energy: -14.329 flat angles C4'-P-C4' energy: -19.940 flat angles P-C4'-P energy: -2.468 tors. eta vs tors. theta energy: -16.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -224.794657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.794657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.794657 (E_RNA) where: Base-Base interactions energy: -150.266 where: short stacking energy: -67.778 Base-Backbone interact. energy: 1.584 local terms energy: -76.113320 where: bonds (distance) C4'-P energy: -16.756 bonds (distance) P-C4' energy: -15.833 flat angles C4'-P-C4' energy: -17.833 flat angles P-C4'-P energy: -8.682 tors. eta vs tors. theta energy: -17.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -204.099870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.099870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.099870 (E_RNA) where: Base-Base interactions energy: -139.394 where: short stacking energy: -62.402 Base-Backbone interact. energy: 1.220 local terms energy: -65.926438 where: bonds (distance) C4'-P energy: -14.886 bonds (distance) P-C4' energy: -17.949 flat angles C4'-P-C4' energy: -10.384 flat angles P-C4'-P energy: -12.911 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: 8, replica: 4 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -200.639826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.639826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.639826 (E_RNA) where: Base-Base interactions energy: -132.382 where: short stacking energy: -58.186 Base-Backbone interact. energy: 0.879 local terms energy: -69.136373 where: bonds (distance) C4'-P energy: -14.487 bonds (distance) P-C4' energy: -15.670 flat angles C4'-P-C4' energy: -17.628 flat angles P-C4'-P energy: -6.649 tors. eta vs tors. theta energy: -14.703 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: 2 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -195.706891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.706891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.706891 (E_RNA) where: Base-Base interactions energy: -134.938 where: short stacking energy: -63.844 Base-Backbone interact. energy: -0.187 local terms energy: -60.582173 where: bonds (distance) C4'-P energy: -17.746 bonds (distance) P-C4' energy: -13.631 flat angles C4'-P-C4' energy: -15.507 flat angles P-C4'-P energy: 0.386 tors. eta vs tors. theta energy: -14.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -213.876000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.876000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.876000 (E_RNA) where: Base-Base interactions energy: -132.360 where: short stacking energy: -60.903 Base-Backbone interact. energy: -0.094 local terms energy: -81.421544 where: bonds (distance) C4'-P energy: -18.793 bonds (distance) P-C4' energy: -16.492 flat angles C4'-P-C4' energy: -19.747 flat angles P-C4'-P energy: -8.970 tors. eta vs tors. theta energy: -17.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -286.521538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.521538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.521538 (E_RNA) where: Base-Base interactions energy: -201.538 where: short stacking energy: -81.272 Base-Backbone interact. energy: -0.506 local terms energy: -84.477614 where: bonds (distance) C4'-P energy: -16.839 bonds (distance) P-C4' energy: -15.452 flat angles C4'-P-C4' energy: -16.497 flat angles P-C4'-P energy: -16.650 tors. eta vs tors. theta energy: -19.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -256.753851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.753851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.753851 (E_RNA) where: Base-Base interactions energy: -173.652 where: short stacking energy: -79.473 Base-Backbone interact. energy: -0.763 local terms energy: -82.339419 where: bonds (distance) C4'-P energy: -16.927 bonds (distance) P-C4' energy: -18.535 flat angles C4'-P-C4' energy: -16.321 flat angles P-C4'-P energy: -10.790 tors. eta vs tors. theta energy: -19.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -288.415136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.415136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.415136 (E_RNA) where: Base-Base interactions energy: -197.334 where: short stacking energy: -80.058 Base-Backbone interact. energy: -3.115 local terms energy: -87.966233 where: bonds (distance) C4'-P energy: -18.181 bonds (distance) P-C4' energy: -18.648 flat angles C4'-P-C4' energy: -18.174 flat angles P-C4'-P energy: -12.443 tors. eta vs tors. theta energy: -20.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -281.209758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.209758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.209758 (E_RNA) where: Base-Base interactions energy: -197.687 where: short stacking energy: -86.325 Base-Backbone interact. energy: -0.109 local terms energy: -83.413640 where: bonds (distance) C4'-P energy: -12.280 bonds (distance) P-C4' energy: -16.446 flat angles C4'-P-C4' energy: -17.552 flat angles P-C4'-P energy: -15.537 tors. eta vs tors. theta energy: -21.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -229.033506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.033506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.033506 (E_RNA) where: Base-Base interactions energy: -158.630 where: short stacking energy: -76.496 Base-Backbone interact. energy: 1.915 local terms energy: -72.318157 where: bonds (distance) C4'-P energy: -15.339 bonds (distance) P-C4' energy: -15.909 flat angles C4'-P-C4' energy: -16.678 flat angles P-C4'-P energy: -8.337 tors. eta vs tors. theta energy: -16.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -222.886976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.886976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.886976 (E_RNA) where: Base-Base interactions energy: -150.173 where: short stacking energy: -76.622 Base-Backbone interact. energy: -0.828 local terms energy: -71.885947 where: bonds (distance) C4'-P energy: -17.386 bonds (distance) P-C4' energy: -14.949 flat angles C4'-P-C4' energy: -14.542 flat angles P-C4'-P energy: -10.818 tors. eta vs tors. theta energy: -14.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -211.820404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.820404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.820404 (E_RNA) where: Base-Base interactions energy: -142.540 where: short stacking energy: -63.742 Base-Backbone interact. energy: 0.328 local terms energy: -69.607863 where: bonds (distance) C4'-P energy: -17.403 bonds (distance) P-C4' energy: -12.725 flat angles C4'-P-C4' energy: -18.874 flat angles P-C4'-P energy: -10.792 tors. eta vs tors. theta energy: -9.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -214.045369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.045369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.045369 (E_RNA) where: Base-Base interactions energy: -146.704 where: short stacking energy: -61.157 Base-Backbone interact. energy: -0.382 local terms energy: -66.959387 where: bonds (distance) C4'-P energy: -15.569 bonds (distance) P-C4' energy: -19.306 flat angles C4'-P-C4' energy: -16.410 flat angles P-C4'-P energy: -7.812 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: 9, replica: 2 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -195.463666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.463666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.463666 (E_RNA) where: Base-Base interactions energy: -129.677 where: short stacking energy: -55.996 Base-Backbone interact. energy: -0.305 local terms energy: -65.481980 where: bonds (distance) C4'-P energy: -16.517 bonds (distance) P-C4' energy: -15.976 flat angles C4'-P-C4' energy: -12.566 flat angles P-C4'-P energy: -8.624 tors. eta vs tors. theta energy: -11.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -202.078134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.078134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.078134 (E_RNA) where: Base-Base interactions energy: -140.823 where: short stacking energy: -54.299 Base-Backbone interact. energy: -0.441 local terms energy: -60.814128 where: bonds (distance) C4'-P energy: -13.810 bonds (distance) P-C4' energy: -19.144 flat angles C4'-P-C4' energy: -10.526 flat angles P-C4'-P energy: -9.426 tors. eta vs tors. theta energy: -7.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -283.328152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.328152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.328152 (E_RNA) where: Base-Base interactions energy: -200.015 where: short stacking energy: -81.854 Base-Backbone interact. energy: -1.116 local terms energy: -82.196894 where: bonds (distance) C4'-P energy: -14.576 bonds (distance) P-C4' energy: -19.774 flat angles C4'-P-C4' energy: -18.382 flat angles P-C4'-P energy: -8.634 tors. eta vs tors. theta energy: -20.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -287.206974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.206974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.206974 (E_RNA) where: Base-Base interactions energy: -202.588 where: short stacking energy: -93.624 Base-Backbone interact. energy: -1.509 local terms energy: -83.109931 where: bonds (distance) C4'-P energy: -18.666 bonds (distance) P-C4' energy: -15.574 flat angles C4'-P-C4' energy: -18.704 flat angles P-C4'-P energy: -7.708 tors. eta vs tors. theta energy: -22.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -256.715573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.715573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.715573 (E_RNA) where: Base-Base interactions energy: -176.633 where: short stacking energy: -73.933 Base-Backbone interact. energy: -0.036 local terms energy: -80.046306 where: bonds (distance) C4'-P energy: -18.345 bonds (distance) P-C4' energy: -15.622 flat angles C4'-P-C4' energy: -20.911 flat angles P-C4'-P energy: -7.256 tors. eta vs tors. theta energy: -17.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -274.882009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.882009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.882009 (E_RNA) where: Base-Base interactions energy: -193.555 where: short stacking energy: -86.743 Base-Backbone interact. energy: -0.847 local terms energy: -80.480607 where: bonds (distance) C4'-P energy: -15.349 bonds (distance) P-C4' energy: -19.042 flat angles C4'-P-C4' energy: -16.626 flat angles P-C4'-P energy: -9.514 tors. eta vs tors. theta energy: -19.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -224.914035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.914035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.914035 (E_RNA) where: Base-Base interactions energy: -145.234 where: short stacking energy: -71.800 Base-Backbone interact. energy: 0.510 local terms energy: -80.190746 where: bonds (distance) C4'-P energy: -19.452 bonds (distance) P-C4' energy: -18.858 flat angles C4'-P-C4' energy: -15.283 flat angles P-C4'-P energy: -6.318 tors. eta vs tors. theta energy: -20.279 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: 6, replica: 7 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -232.139294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.139294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.139294 (E_RNA) where: Base-Base interactions energy: -146.657 where: short stacking energy: -70.501 Base-Backbone interact. energy: -1.081 local terms energy: -84.401881 where: bonds (distance) C4'-P energy: -17.414 bonds (distance) P-C4' energy: -17.684 flat angles C4'-P-C4' energy: -18.493 flat angles P-C4'-P energy: -13.844 tors. eta vs tors. theta energy: -16.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -224.612311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.612311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.612311 (E_RNA) where: Base-Base interactions energy: -147.930 where: short stacking energy: -66.770 Base-Backbone interact. energy: -1.491 local terms energy: -75.191571 where: bonds (distance) C4'-P energy: -17.862 bonds (distance) P-C4' energy: -17.250 flat angles C4'-P-C4' energy: -15.599 flat angles P-C4'-P energy: -4.311 tors. eta vs tors. theta energy: -20.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -210.189235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.189235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.189235 (E_RNA) where: Base-Base interactions energy: -133.559 where: short stacking energy: -62.320 Base-Backbone interact. energy: -0.076 local terms energy: -76.554046 where: bonds (distance) C4'-P energy: -14.968 bonds (distance) P-C4' energy: -20.398 flat angles C4'-P-C4' energy: -14.549 flat angles P-C4'-P energy: -12.791 tors. eta vs tors. theta energy: -13.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -191.117209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.117209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.117209 (E_RNA) where: Base-Base interactions energy: -119.972 where: short stacking energy: -56.025 Base-Backbone interact. energy: -0.602 local terms energy: -70.542313 where: bonds (distance) C4'-P energy: -14.487 bonds (distance) P-C4' energy: -16.414 flat angles C4'-P-C4' energy: -18.268 flat angles P-C4'-P energy: -11.941 tors. eta vs tors. theta energy: -9.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -192.113127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.113127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.113127 (E_RNA) where: Base-Base interactions energy: -133.383 where: short stacking energy: -55.973 Base-Backbone interact. energy: 0.924 local terms energy: -59.654612 where: bonds (distance) C4'-P energy: -15.465 bonds (distance) P-C4' energy: -13.423 flat angles C4'-P-C4' energy: -14.965 flat angles P-C4'-P energy: -6.928 tors. eta vs tors. theta energy: -8.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -299.437621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.437621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.437621 (E_RNA) where: Base-Base interactions energy: -209.223 where: short stacking energy: -88.093 Base-Backbone interact. energy: -0.480 local terms energy: -89.734725 where: bonds (distance) C4'-P energy: -15.845 bonds (distance) P-C4' energy: -18.184 flat angles C4'-P-C4' energy: -21.631 flat angles P-C4'-P energy: -10.808 tors. eta vs tors. theta energy: -23.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -282.380859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.380859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.380859 (E_RNA) where: Base-Base interactions energy: -196.554 where: short stacking energy: -89.278 Base-Backbone interact. energy: -0.969 local terms energy: -84.858265 where: bonds (distance) C4'-P energy: -15.274 bonds (distance) P-C4' energy: -16.831 flat angles C4'-P-C4' energy: -18.854 flat angles P-C4'-P energy: -13.611 tors. eta vs tors. theta energy: -20.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -260.434483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.434483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.434483 (E_RNA) where: Base-Base interactions energy: -187.215 where: short stacking energy: -78.587 Base-Backbone interact. energy: -0.876 local terms energy: -72.343543 where: bonds (distance) C4'-P energy: -10.113 bonds (distance) P-C4' energy: -17.574 flat angles C4'-P-C4' energy: -15.234 flat angles P-C4'-P energy: -9.606 tors. eta vs tors. theta energy: -19.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -258.937246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.937246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.937246 (E_RNA) where: Base-Base interactions energy: -178.983 where: short stacking energy: -85.596 Base-Backbone interact. energy: -0.482 local terms energy: -79.472561 where: bonds (distance) C4'-P energy: -8.862 bonds (distance) P-C4' energy: -20.158 flat angles C4'-P-C4' energy: -19.192 flat angles P-C4'-P energy: -9.527 tors. eta vs tors. theta energy: -21.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -238.018365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.018365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.018365 (E_RNA) where: Base-Base interactions energy: -162.011 where: short stacking energy: -79.619 Base-Backbone interact. energy: -1.500 local terms energy: -74.507007 where: bonds (distance) C4'-P energy: -15.357 bonds (distance) P-C4' energy: -15.565 flat angles C4'-P-C4' energy: -14.670 flat angles P-C4'-P energy: -8.724 tors. eta vs tors. theta energy: -20.192 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: 9 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -219.571929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.571929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.571929 (E_RNA) where: Base-Base interactions energy: -147.833 where: short stacking energy: -68.762 Base-Backbone interact. energy: 0.787 local terms energy: -72.526509 where: bonds (distance) C4'-P energy: -16.396 bonds (distance) P-C4' energy: -12.331 flat angles C4'-P-C4' energy: -15.205 flat angles P-C4'-P energy: -10.690 tors. eta vs tors. theta energy: -17.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -221.113789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.113789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.113789 (E_RNA) where: Base-Base interactions energy: -156.434 where: short stacking energy: -70.843 Base-Backbone interact. energy: -0.123 local terms energy: -64.556401 where: bonds (distance) C4'-P energy: -14.178 bonds (distance) P-C4' energy: -16.377 flat angles C4'-P-C4' energy: -14.945 flat angles P-C4'-P energy: -6.231 tors. eta vs tors. theta energy: -12.824 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: 2 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -204.328065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.328065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.328065 (E_RNA) where: Base-Base interactions energy: -141.822 where: short stacking energy: -61.544 Base-Backbone interact. energy: -0.557 local terms energy: -61.949431 where: bonds (distance) C4'-P energy: -13.300 bonds (distance) P-C4' energy: -13.215 flat angles C4'-P-C4' energy: -17.156 flat angles P-C4'-P energy: -6.757 tors. eta vs tors. theta energy: -11.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -209.260927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.260927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.260927 (E_RNA) where: Base-Base interactions energy: -142.263 where: short stacking energy: -65.143 Base-Backbone interact. energy: 2.267 local terms energy: -69.265140 where: bonds (distance) C4'-P energy: -18.156 bonds (distance) P-C4' energy: -14.530 flat angles C4'-P-C4' energy: -15.655 flat angles P-C4'-P energy: -7.132 tors. eta vs tors. theta energy: -13.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -191.650520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.650520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.650520 (E_RNA) where: Base-Base interactions energy: -116.610 where: short stacking energy: -48.616 Base-Backbone interact. energy: -0.180 local terms energy: -74.859948 where: bonds (distance) C4'-P energy: -16.187 bonds (distance) P-C4' energy: -18.442 flat angles C4'-P-C4' energy: -16.842 flat angles P-C4'-P energy: -10.991 tors. eta vs tors. theta energy: -12.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -288.932972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.932972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.932972 (E_RNA) where: Base-Base interactions energy: -203.944 where: short stacking energy: -92.403 Base-Backbone interact. energy: -0.805 local terms energy: -84.183760 where: bonds (distance) C4'-P energy: -16.233 bonds (distance) P-C4' energy: -17.524 flat angles C4'-P-C4' energy: -20.577 flat angles P-C4'-P energy: -10.159 tors. eta vs tors. theta energy: -19.690 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: 2, replica: 3 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -290.568389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.568389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.568389 (E_RNA) where: Base-Base interactions energy: -204.243 where: short stacking energy: -85.939 Base-Backbone interact. energy: -0.690 local terms energy: -85.635232 where: bonds (distance) C4'-P energy: -19.742 bonds (distance) P-C4' energy: -17.205 flat angles C4'-P-C4' energy: -19.166 flat angles P-C4'-P energy: -10.165 tors. eta vs tors. theta energy: -19.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -283.451962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.451962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.451962 (E_RNA) where: Base-Base interactions energy: -201.139 where: short stacking energy: -90.941 Base-Backbone interact. energy: 0.174 local terms energy: -82.486946 where: bonds (distance) C4'-P energy: -14.994 bonds (distance) P-C4' energy: -18.498 flat angles C4'-P-C4' energy: -17.948 flat angles P-C4'-P energy: -11.297 tors. eta vs tors. theta energy: -19.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -243.712310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.712310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.712310 (E_RNA) where: Base-Base interactions energy: -161.874 where: short stacking energy: -80.384 Base-Backbone interact. energy: -0.541 local terms energy: -81.296908 where: bonds (distance) C4'-P energy: -14.649 bonds (distance) P-C4' energy: -19.013 flat angles C4'-P-C4' energy: -17.248 flat angles P-C4'-P energy: -10.979 tors. eta vs tors. theta energy: -19.409 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: 5 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -228.389583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.389583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.389583 (E_RNA) where: Base-Base interactions energy: -158.373 where: short stacking energy: -78.620 Base-Backbone interact. energy: -0.068 local terms energy: -69.948818 where: bonds (distance) C4'-P energy: -15.039 bonds (distance) P-C4' energy: -11.282 flat angles C4'-P-C4' energy: -14.858 flat angles P-C4'-P energy: -10.248 tors. eta vs tors. theta energy: -18.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -248.057959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.057959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.057959 (E_RNA) where: Base-Base interactions energy: -164.881 where: short stacking energy: -79.298 Base-Backbone interact. energy: -0.047 local terms energy: -83.129154 where: bonds (distance) C4'-P energy: -14.050 bonds (distance) P-C4' energy: -15.983 flat angles C4'-P-C4' energy: -17.687 flat angles P-C4'-P energy: -12.468 tors. eta vs tors. theta energy: -22.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -233.837904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.837904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.837904 (E_RNA) where: Base-Base interactions energy: -154.504 where: short stacking energy: -70.735 Base-Backbone interact. energy: -1.221 local terms energy: -78.112085 where: bonds (distance) C4'-P energy: -17.345 bonds (distance) P-C4' energy: -12.730 flat angles C4'-P-C4' energy: -18.004 flat angles P-C4'-P energy: -12.905 tors. eta vs tors. theta energy: -17.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -214.116956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.116956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.116956 (E_RNA) where: Base-Base interactions energy: -146.438 where: short stacking energy: -64.855 Base-Backbone interact. energy: -0.181 local terms energy: -67.497916 where: bonds (distance) C4'-P energy: -12.407 bonds (distance) P-C4' energy: -17.216 flat angles C4'-P-C4' energy: -15.109 flat angles P-C4'-P energy: -10.926 tors. eta vs tors. theta energy: -11.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -195.502499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.502499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.502499 (E_RNA) where: Base-Base interactions energy: -130.188 where: short stacking energy: -59.491 Base-Backbone interact. energy: -0.016 local terms energy: -65.297742 where: bonds (distance) C4'-P energy: -12.438 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -15.776 flat angles P-C4'-P energy: -10.369 tors. eta vs tors. theta energy: -12.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -195.998247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.998247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.998247 (E_RNA) where: Base-Base interactions energy: -134.823 where: short stacking energy: -66.960 Base-Backbone interact. energy: 0.018 local terms energy: -61.193700 where: bonds (distance) C4'-P energy: -12.667 bonds (distance) P-C4' energy: -11.422 flat angles C4'-P-C4' energy: -14.858 flat angles P-C4'-P energy: -7.229 tors. eta vs tors. theta energy: -15.018 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: 10 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -297.795182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.795182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.795182 (E_RNA) where: Base-Base interactions energy: -210.152 where: short stacking energy: -96.394 Base-Backbone interact. energy: 0.345 local terms energy: -87.987797 where: bonds (distance) C4'-P energy: -15.940 bonds (distance) P-C4' energy: -19.542 flat angles C4'-P-C4' energy: -18.543 flat angles P-C4'-P energy: -9.577 tors. eta vs tors. theta energy: -24.387 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: 3 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -293.782159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.782159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.782159 (E_RNA) where: Base-Base interactions energy: -204.497 where: short stacking energy: -90.301 Base-Backbone interact. energy: -1.046 local terms energy: -88.239396 where: bonds (distance) C4'-P energy: -19.502 bonds (distance) P-C4' energy: -19.954 flat angles C4'-P-C4' energy: -16.327 flat angles P-C4'-P energy: -9.700 tors. eta vs tors. theta energy: -22.756 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: 3, replica: 1 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -287.687617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.687617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.687617 (E_RNA) where: Base-Base interactions energy: -208.369 where: short stacking energy: -94.934 Base-Backbone interact. energy: -1.366 local terms energy: -77.952666 where: bonds (distance) C4'-P energy: -9.991 bonds (distance) P-C4' energy: -17.377 flat angles C4'-P-C4' energy: -16.039 flat angles P-C4'-P energy: -13.562 tors. eta vs tors. theta energy: -20.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -239.095903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.095903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.095903 (E_RNA) where: Base-Base interactions energy: -156.732 where: short stacking energy: -83.927 Base-Backbone interact. energy: -0.033 local terms energy: -82.330318 where: bonds (distance) C4'-P energy: -14.285 bonds (distance) P-C4' energy: -17.172 flat angles C4'-P-C4' energy: -19.900 flat angles P-C4'-P energy: -11.434 tors. eta vs tors. theta energy: -19.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -239.712779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.712779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.712779 (E_RNA) where: Base-Base interactions energy: -162.619 where: short stacking energy: -70.960 Base-Backbone interact. energy: -0.599 local terms energy: -76.495062 where: bonds (distance) C4'-P energy: -15.535 bonds (distance) P-C4' energy: -14.654 flat angles C4'-P-C4' energy: -17.432 flat angles P-C4'-P energy: -10.971 tors. eta vs tors. theta energy: -17.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -220.912256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.912256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.912256 (E_RNA) where: Base-Base interactions energy: -148.496 where: short stacking energy: -80.154 Base-Backbone interact. energy: -0.134 local terms energy: -72.282274 where: bonds (distance) C4'-P energy: -14.062 bonds (distance) P-C4' energy: -13.719 flat angles C4'-P-C4' energy: -17.747 flat angles P-C4'-P energy: -10.223 tors. eta vs tors. theta energy: -16.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -216.957999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.957999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.957999 (E_RNA) where: Base-Base interactions energy: -144.072 where: short stacking energy: -69.134 Base-Backbone interact. energy: -0.159 local terms energy: -72.727910 where: bonds (distance) C4'-P energy: -13.961 bonds (distance) P-C4' energy: -18.377 flat angles C4'-P-C4' energy: -12.290 flat angles P-C4'-P energy: -13.211 tors. eta vs tors. theta energy: -14.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -208.369849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.369849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.369849 (E_RNA) where: Base-Base interactions energy: -141.126 where: short stacking energy: -60.599 Base-Backbone interact. energy: 0.433 local terms energy: -67.677011 where: bonds (distance) C4'-P energy: -11.951 bonds (distance) P-C4' energy: -18.374 flat angles C4'-P-C4' energy: -14.744 flat angles P-C4'-P energy: -11.044 tors. eta vs tors. theta energy: -11.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -208.980859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.980859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.980859 (E_RNA) where: Base-Base interactions energy: -142.637 where: short stacking energy: -70.095 Base-Backbone interact. energy: -0.242 local terms energy: -66.101445 where: bonds (distance) C4'-P energy: -14.533 bonds (distance) P-C4' energy: -12.778 flat angles C4'-P-C4' energy: -15.024 flat angles P-C4'-P energy: -7.275 tors. eta vs tors. theta energy: -16.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -188.651834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.651834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.651834 (E_RNA) where: Base-Base interactions energy: -128.558 where: short stacking energy: -53.045 Base-Backbone interact. energy: -1.356 local terms energy: -58.737665 where: bonds (distance) C4'-P energy: -13.923 bonds (distance) P-C4' energy: -11.684 flat angles C4'-P-C4' energy: -14.083 flat angles P-C4'-P energy: -4.564 tors. eta vs tors. theta energy: -14.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -288.913734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.913734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.913734 (E_RNA) where: Base-Base interactions energy: -205.509 where: short stacking energy: -92.124 Base-Backbone interact. energy: -1.022 local terms energy: -82.383456 where: bonds (distance) C4'-P energy: -19.486 bonds (distance) P-C4' energy: -16.068 flat angles C4'-P-C4' energy: -16.914 flat angles P-C4'-P energy: -9.628 tors. eta vs tors. theta energy: -20.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -284.792998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.792998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.792998 (E_RNA) where: Base-Base interactions energy: -202.199 where: short stacking energy: -85.530 Base-Backbone interact. energy: -2.570 local terms energy: -80.024079 where: bonds (distance) C4'-P energy: -15.019 bonds (distance) P-C4' energy: -15.697 flat angles C4'-P-C4' energy: -19.610 flat angles P-C4'-P energy: -12.504 tors. eta vs tors. theta energy: -17.194 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: 367 Temperature: 1.000000 Total energy: -271.576409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.576409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.576409 (E_RNA) where: Base-Base interactions energy: -186.089 where: short stacking energy: -77.003 Base-Backbone interact. energy: -1.428 local terms energy: -84.059901 where: bonds (distance) C4'-P energy: -16.856 bonds (distance) P-C4' energy: -15.896 flat angles C4'-P-C4' energy: -20.546 flat angles P-C4'-P energy: -9.660 tors. eta vs tors. theta energy: -21.102 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: 4, replica: 7 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -238.693856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.693856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.693856 (E_RNA) where: Base-Base interactions energy: -163.020 where: short stacking energy: -85.265 Base-Backbone interact. energy: -0.266 local terms energy: -75.408443 where: bonds (distance) C4'-P energy: -13.304 bonds (distance) P-C4' energy: -14.358 flat angles C4'-P-C4' energy: -18.204 flat angles P-C4'-P energy: -10.622 tors. eta vs tors. theta energy: -18.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -226.909386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.909386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.909386 (E_RNA) where: Base-Base interactions energy: -160.806 where: short stacking energy: -80.303 Base-Backbone interact. energy: -0.120 local terms energy: -65.983454 where: bonds (distance) C4'-P energy: -9.562 bonds (distance) P-C4' energy: -16.018 flat angles C4'-P-C4' energy: -15.559 flat angles P-C4'-P energy: -9.005 tors. eta vs tors. theta energy: -15.839 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: 2 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -224.966776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.966776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.966776 (E_RNA) where: Base-Base interactions energy: -145.210 where: short stacking energy: -60.851 Base-Backbone interact. energy: -0.185 local terms energy: -79.572597 where: bonds (distance) C4'-P energy: -14.502 bonds (distance) P-C4' energy: -18.555 flat angles C4'-P-C4' energy: -19.236 flat angles P-C4'-P energy: -10.417 tors. eta vs tors. theta energy: -16.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -217.358802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.358802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.358802 (E_RNA) where: Base-Base interactions energy: -146.876 where: short stacking energy: -65.766 Base-Backbone interact. energy: -0.578 local terms energy: -69.904965 where: bonds (distance) C4'-P energy: -14.066 bonds (distance) P-C4' energy: -18.947 flat angles C4'-P-C4' energy: -12.722 flat angles P-C4'-P energy: -10.244 tors. eta vs tors. theta energy: -13.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -219.508969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.508969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.508969 (E_RNA) where: Base-Base interactions energy: -152.668 where: short stacking energy: -69.841 Base-Backbone interact. energy: -0.102 local terms energy: -66.739056 where: bonds (distance) C4'-P energy: -13.437 bonds (distance) P-C4' energy: -15.572 flat angles C4'-P-C4' energy: -15.438 flat angles P-C4'-P energy: -9.049 tors. eta vs tors. theta energy: -13.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -190.566095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.566095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.566095 (E_RNA) where: Base-Base interactions energy: -128.415 where: short stacking energy: -54.647 Base-Backbone interact. energy: -0.407 local terms energy: -61.744300 where: bonds (distance) C4'-P energy: -12.607 bonds (distance) P-C4' energy: -10.430 flat angles C4'-P-C4' energy: -17.235 flat angles P-C4'-P energy: -11.285 tors. eta vs tors. theta energy: -10.187 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: 10, replica: 8 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -201.151383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.151383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.151383 (E_RNA) where: Base-Base interactions energy: -130.100 where: short stacking energy: -52.234 Base-Backbone interact. energy: 0.064 local terms energy: -71.115440 where: bonds (distance) C4'-P energy: -15.410 bonds (distance) P-C4' energy: -17.454 flat angles C4'-P-C4' energy: -12.198 flat angles P-C4'-P energy: -14.936 tors. eta vs tors. theta energy: -11.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -277.853956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.853956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.853956 (E_RNA) where: Base-Base interactions energy: -191.131 where: short stacking energy: -82.375 Base-Backbone interact. energy: -2.339 local terms energy: -84.383576 where: bonds (distance) C4'-P energy: -12.327 bonds (distance) P-C4' energy: -18.716 flat angles C4'-P-C4' energy: -20.769 flat angles P-C4'-P energy: -12.275 tors. eta vs tors. theta energy: -20.297 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: 10 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -289.627624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.627624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.627624 (E_RNA) where: Base-Base interactions energy: -205.216 where: short stacking energy: -87.729 Base-Backbone interact. energy: -1.221 local terms energy: -83.190538 where: bonds (distance) C4'-P energy: -16.308 bonds (distance) P-C4' energy: -18.002 flat angles C4'-P-C4' energy: -20.474 flat angles P-C4'-P energy: -5.407 tors. eta vs tors. theta energy: -22.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -272.570305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.570305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.570305 (E_RNA) where: Base-Base interactions energy: -189.557 where: short stacking energy: -73.378 Base-Backbone interact. energy: -0.052 local terms energy: -82.960928 where: bonds (distance) C4'-P energy: -18.933 bonds (distance) P-C4' energy: -18.283 flat angles C4'-P-C4' energy: -16.421 flat angles P-C4'-P energy: -13.294 tors. eta vs tors. theta energy: -16.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -241.683276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.683276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.683276 (E_RNA) where: Base-Base interactions energy: -158.447 where: short stacking energy: -74.068 Base-Backbone interact. energy: 0.185 local terms energy: -83.421480 where: bonds (distance) C4'-P energy: -16.633 bonds (distance) P-C4' energy: -17.908 flat angles C4'-P-C4' energy: -18.031 flat angles P-C4'-P energy: -11.017 tors. eta vs tors. theta energy: -19.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -223.563197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.563197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.563197 (E_RNA) where: Base-Base interactions energy: -151.300 where: short stacking energy: -70.894 Base-Backbone interact. energy: -0.351 local terms energy: -71.911540 where: bonds (distance) C4'-P energy: -16.139 bonds (distance) P-C4' energy: -19.532 flat angles C4'-P-C4' energy: -17.967 flat angles P-C4'-P energy: -5.739 tors. eta vs tors. theta energy: -12.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -231.356674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.356674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.356674 (E_RNA) where: Base-Base interactions energy: -162.243 where: short stacking energy: -85.775 Base-Backbone interact. energy: -0.044 local terms energy: -69.069286 where: bonds (distance) C4'-P energy: -11.735 bonds (distance) P-C4' energy: -10.804 flat angles C4'-P-C4' energy: -16.452 flat angles P-C4'-P energy: -9.477 tors. eta vs tors. theta energy: -20.601 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: 9 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -229.093027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.093027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.093027 (E_RNA) where: Base-Base interactions energy: -153.749 where: short stacking energy: -68.580 Base-Backbone interact. energy: -0.411 local terms energy: -74.933266 where: bonds (distance) C4'-P energy: -12.860 bonds (distance) P-C4' energy: -17.131 flat angles C4'-P-C4' energy: -18.767 flat angles P-C4'-P energy: -7.240 tors. eta vs tors. theta energy: -18.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -207.859152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.859152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.859152 (E_RNA) where: Base-Base interactions energy: -142.551 where: short stacking energy: -72.751 Base-Backbone interact. energy: -0.109 local terms energy: -65.199169 where: bonds (distance) C4'-P energy: -15.234 bonds (distance) P-C4' energy: -16.195 flat angles C4'-P-C4' energy: -12.029 flat angles P-C4'-P energy: -8.367 tors. eta vs tors. theta energy: -13.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -215.435062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.435062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.435062 (E_RNA) where: Base-Base interactions energy: -148.927 where: short stacking energy: -76.000 Base-Backbone interact. energy: -0.119 local terms energy: -66.389128 where: bonds (distance) C4'-P energy: -12.789 bonds (distance) P-C4' energy: -10.322 flat angles C4'-P-C4' energy: -13.656 flat angles P-C4'-P energy: -14.287 tors. eta vs tors. theta energy: -15.335 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: 4 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -196.338409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.338409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.338409 (E_RNA) where: Base-Base interactions energy: -131.762 where: short stacking energy: -56.159 Base-Backbone interact. energy: -0.159 local terms energy: -64.417418 where: bonds (distance) C4'-P energy: -15.733 bonds (distance) P-C4' energy: -15.998 flat angles C4'-P-C4' energy: -15.560 flat angles P-C4'-P energy: -8.712 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: 1, replica: 3 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -285.772072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.772072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.772072 (E_RNA) where: Base-Base interactions energy: -204.799 where: short stacking energy: -88.369 Base-Backbone interact. energy: -0.742 local terms energy: -80.231641 where: bonds (distance) C4'-P energy: -16.122 bonds (distance) P-C4' energy: -13.246 flat angles C4'-P-C4' energy: -16.772 flat angles P-C4'-P energy: -10.216 tors. eta vs tors. theta energy: -23.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -281.376624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.376624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.376624 (E_RNA) where: Base-Base interactions energy: -193.756 where: short stacking energy: -88.515 Base-Backbone interact. energy: -0.004 local terms energy: -87.616506 where: bonds (distance) C4'-P energy: -18.590 bonds (distance) P-C4' energy: -17.240 flat angles C4'-P-C4' energy: -15.848 flat angles P-C4'-P energy: -11.609 tors. eta vs tors. theta energy: -24.329 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: 10 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -287.264440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.264440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.264440 (E_RNA) where: Base-Base interactions energy: -205.802 where: short stacking energy: -85.261 Base-Backbone interact. energy: -1.007 local terms energy: -80.455542 where: bonds (distance) C4'-P energy: -17.991 bonds (distance) P-C4' energy: -15.955 flat angles C4'-P-C4' energy: -16.838 flat angles P-C4'-P energy: -10.610 tors. eta vs tors. theta energy: -19.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -251.850199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.850199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.850199 (E_RNA) where: Base-Base interactions energy: -168.467 where: short stacking energy: -82.945 Base-Backbone interact. energy: -0.306 local terms energy: -83.077207 where: bonds (distance) C4'-P energy: -14.828 bonds (distance) P-C4' energy: -19.454 flat angles C4'-P-C4' energy: -19.840 flat angles P-C4'-P energy: -6.287 tors. eta vs tors. theta energy: -22.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -222.752106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.752106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.752106 (E_RNA) where: Base-Base interactions energy: -154.262 where: short stacking energy: -69.814 Base-Backbone interact. energy: 0.797 local terms energy: -69.287161 where: bonds (distance) C4'-P energy: -12.497 bonds (distance) P-C4' energy: -19.359 flat angles C4'-P-C4' energy: -16.689 flat angles P-C4'-P energy: -13.523 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: 6, replica: 9 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -228.023219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.023219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.023219 (E_RNA) where: Base-Base interactions energy: -154.352 where: short stacking energy: -75.234 Base-Backbone interact. energy: 1.880 local terms energy: -75.551493 where: bonds (distance) C4'-P energy: -14.479 bonds (distance) P-C4' energy: -18.637 flat angles C4'-P-C4' energy: -13.298 flat angles P-C4'-P energy: -13.658 tors. eta vs tors. theta energy: -15.480 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: 6 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -232.082464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.082464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.082464 (E_RNA) where: Base-Base interactions energy: -157.096 where: short stacking energy: -76.718 Base-Backbone interact. energy: -0.124 local terms energy: -74.862527 where: bonds (distance) C4'-P energy: -13.110 bonds (distance) P-C4' energy: -18.396 flat angles C4'-P-C4' energy: -17.959 flat angles P-C4'-P energy: -5.737 tors. eta vs tors. theta energy: -19.660 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: 5 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -197.975096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.975096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.975096 (E_RNA) where: Base-Base interactions energy: -136.031 where: short stacking energy: -60.036 Base-Backbone interact. energy: -0.072 local terms energy: -61.872803 where: bonds (distance) C4'-P energy: -11.578 bonds (distance) P-C4' energy: -13.937 flat angles C4'-P-C4' energy: -13.411 flat angles P-C4'-P energy: -10.200 tors. eta vs tors. theta energy: -12.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -212.559439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.559439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.559439 (E_RNA) where: Base-Base interactions energy: -144.432 where: short stacking energy: -64.733 Base-Backbone interact. energy: -0.220 local terms energy: -67.908094 where: bonds (distance) C4'-P energy: -16.301 bonds (distance) P-C4' energy: -14.001 flat angles C4'-P-C4' energy: -15.593 flat angles P-C4'-P energy: -9.718 tors. eta vs tors. theta energy: -12.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -203.432844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.432844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.432844 (E_RNA) where: Base-Base interactions energy: -133.550 where: short stacking energy: -59.717 Base-Backbone interact. energy: -0.278 local terms energy: -69.604043 where: bonds (distance) C4'-P energy: -16.351 bonds (distance) P-C4' energy: -14.306 flat angles C4'-P-C4' energy: -15.194 flat angles P-C4'-P energy: -10.437 tors. eta vs tors. theta energy: -13.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -285.416461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.416461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.416461 (E_RNA) where: Base-Base interactions energy: -201.952 where: short stacking energy: -87.461 Base-Backbone interact. energy: -2.582 local terms energy: -80.882842 where: bonds (distance) C4'-P energy: -18.553 bonds (distance) P-C4' energy: -14.653 flat angles C4'-P-C4' energy: -16.458 flat angles P-C4'-P energy: -8.955 tors. eta vs tors. theta energy: -22.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -271.464729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.464729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.464729 (E_RNA) where: Base-Base interactions energy: -197.757 where: short stacking energy: -89.144 Base-Backbone interact. energy: -0.483 local terms energy: -73.225127 where: bonds (distance) C4'-P energy: -18.507 bonds (distance) P-C4' energy: -11.276 flat angles C4'-P-C4' energy: -15.419 flat angles P-C4'-P energy: -6.036 tors. eta vs tors. theta energy: -21.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -260.165923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.165923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.165923 (E_RNA) where: Base-Base interactions energy: -178.131 where: short stacking energy: -93.418 Base-Backbone interact. energy: -0.002 local terms energy: -82.032622 where: bonds (distance) C4'-P energy: -13.503 bonds (distance) P-C4' energy: -15.382 flat angles C4'-P-C4' energy: -17.404 flat angles P-C4'-P energy: -11.529 tors. eta vs tors. theta energy: -24.216 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: 10 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -265.220257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.220257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.220257 (E_RNA) where: Base-Base interactions energy: -182.964 where: short stacking energy: -80.171 Base-Backbone interact. energy: -0.375 local terms energy: -81.880849 where: bonds (distance) C4'-P energy: -17.312 bonds (distance) P-C4' energy: -16.375 flat angles C4'-P-C4' energy: -15.562 flat angles P-C4'-P energy: -13.109 tors. eta vs tors. theta energy: -19.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -223.447284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.447284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.447284 (E_RNA) where: Base-Base interactions energy: -156.425 where: short stacking energy: -72.029 Base-Backbone interact. energy: -0.354 local terms energy: -66.668022 where: bonds (distance) C4'-P energy: -12.416 bonds (distance) P-C4' energy: -16.265 flat angles C4'-P-C4' energy: -14.862 flat angles P-C4'-P energy: -10.624 tors. eta vs tors. theta energy: -12.501 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: 2 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -221.888712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.888712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.888712 (E_RNA) where: Base-Base interactions energy: -152.381 where: short stacking energy: -75.212 Base-Backbone interact. energy: -0.309 local terms energy: -69.198130 where: bonds (distance) C4'-P energy: -13.331 bonds (distance) P-C4' energy: -16.029 flat angles C4'-P-C4' energy: -15.293 flat angles P-C4'-P energy: -11.500 tors. eta vs tors. theta energy: -13.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -210.396513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.396513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.396513 (E_RNA) where: Base-Base interactions energy: -144.398 where: short stacking energy: -64.396 Base-Backbone interact. energy: -0.137 local terms energy: -65.861735 where: bonds (distance) C4'-P energy: -15.187 bonds (distance) P-C4' energy: -11.990 flat angles C4'-P-C4' energy: -13.912 flat angles P-C4'-P energy: -9.858 tors. eta vs tors. theta energy: -14.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -222.560626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.560626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.560626 (E_RNA) where: Base-Base interactions energy: -153.284 where: short stacking energy: -69.075 Base-Backbone interact. energy: 1.144 local terms energy: -70.420594 where: bonds (distance) C4'-P energy: -15.179 bonds (distance) P-C4' energy: -15.414 flat angles C4'-P-C4' energy: -14.857 flat angles P-C4'-P energy: -7.077 tors. eta vs tors. theta energy: -17.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -191.528253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.528253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.528253 (E_RNA) where: Base-Base interactions energy: -136.686 where: short stacking energy: -60.049 Base-Backbone interact. energy: -0.801 local terms energy: -54.040492 where: bonds (distance) C4'-P energy: -13.387 bonds (distance) P-C4' energy: -14.035 flat angles C4'-P-C4' energy: -17.724 flat angles P-C4'-P energy: -0.605 tors. eta vs tors. theta energy: -8.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -204.519266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.519266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.519266 (E_RNA) where: Base-Base interactions energy: -134.475 where: short stacking energy: -68.382 Base-Backbone interact. energy: 0.125 local terms energy: -70.169780 where: bonds (distance) C4'-P energy: -16.638 bonds (distance) P-C4' energy: -15.931 flat angles C4'-P-C4' energy: -11.850 flat angles P-C4'-P energy: -7.588 tors. eta vs tors. theta energy: -18.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -286.145632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.145632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.145632 (E_RNA) where: Base-Base interactions energy: -198.458 where: short stacking energy: -89.936 Base-Backbone interact. energy: -2.132 local terms energy: -85.555331 where: bonds (distance) C4'-P energy: -17.357 bonds (distance) P-C4' energy: -20.463 flat angles C4'-P-C4' energy: -19.434 flat angles P-C4'-P energy: -5.228 tors. eta vs tors. theta energy: -23.074 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: 2, replica: 1 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -280.632787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.632787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.632787 (E_RNA) where: Base-Base interactions energy: -197.450 where: short stacking energy: -85.750 Base-Backbone interact. energy: -1.096 local terms energy: -82.087488 where: bonds (distance) C4'-P energy: -15.039 bonds (distance) P-C4' energy: -17.399 flat angles C4'-P-C4' energy: -17.836 flat angles P-C4'-P energy: -10.492 tors. eta vs tors. theta energy: -21.322 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: 7 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -255.719248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.719248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.719248 (E_RNA) where: Base-Base interactions energy: -171.561 where: short stacking energy: -87.596 Base-Backbone interact. energy: -0.446 local terms energy: -83.711502 where: bonds (distance) C4'-P energy: -12.568 bonds (distance) P-C4' energy: -20.099 flat angles C4'-P-C4' energy: -19.887 flat angles P-C4'-P energy: -10.691 tors. eta vs tors. theta energy: -20.466 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: 4, replica: 10 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -274.309689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.309689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.309689 (E_RNA) where: Base-Base interactions energy: -194.303 where: short stacking energy: -83.733 Base-Backbone interact. energy: -0.263 local terms energy: -79.743361 where: bonds (distance) C4'-P energy: -18.760 bonds (distance) P-C4' energy: -18.348 flat angles C4'-P-C4' energy: -10.836 flat angles P-C4'-P energy: -11.648 tors. eta vs tors. theta energy: -20.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -230.863697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.863697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.863697 (E_RNA) where: Base-Base interactions energy: -148.376 where: short stacking energy: -76.022 Base-Backbone interact. energy: -0.017 local terms energy: -82.470021 where: bonds (distance) C4'-P energy: -14.674 bonds (distance) P-C4' energy: -15.173 flat angles C4'-P-C4' energy: -17.937 flat angles P-C4'-P energy: -13.516 tors. eta vs tors. theta energy: -21.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -219.162361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.162361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.162361 (E_RNA) where: Base-Base interactions energy: -149.226 where: short stacking energy: -66.608 Base-Backbone interact. energy: -0.185 local terms energy: -69.752205 where: bonds (distance) C4'-P energy: -15.215 bonds (distance) P-C4' energy: -15.729 flat angles C4'-P-C4' energy: -18.006 flat angles P-C4'-P energy: -7.001 tors. eta vs tors. theta energy: -13.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -225.725195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.725195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.725195 (E_RNA) where: Base-Base interactions energy: -154.228 where: short stacking energy: -72.948 Base-Backbone interact. energy: -0.002 local terms energy: -71.495327 where: bonds (distance) C4'-P energy: -12.095 bonds (distance) P-C4' energy: -14.725 flat angles C4'-P-C4' energy: -19.524 flat angles P-C4'-P energy: -7.627 tors. eta vs tors. theta energy: -17.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -210.916901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.916901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.916901 (E_RNA) where: Base-Base interactions energy: -147.919 where: short stacking energy: -72.612 Base-Backbone interact. energy: -0.010 local terms energy: -62.987373 where: bonds (distance) C4'-P energy: -18.081 bonds (distance) P-C4' energy: -15.066 flat angles C4'-P-C4' energy: -14.214 flat angles P-C4'-P energy: -1.407 tors. eta vs tors. theta energy: -14.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -200.813203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.813203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.813203 (E_RNA) where: Base-Base interactions energy: -124.075 where: short stacking energy: -52.578 Base-Backbone interact. energy: -0.039 local terms energy: -76.699273 where: bonds (distance) C4'-P energy: -18.029 bonds (distance) P-C4' energy: -19.546 flat angles C4'-P-C4' energy: -15.360 flat angles P-C4'-P energy: -12.366 tors. eta vs tors. theta energy: -11.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -201.253867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.253867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.253867 (E_RNA) where: Base-Base interactions energy: -134.616 where: short stacking energy: -60.656 Base-Backbone interact. energy: -0.355 local terms energy: -66.282959 where: bonds (distance) C4'-P energy: -13.679 bonds (distance) P-C4' energy: -15.223 flat angles C4'-P-C4' energy: -11.183 flat angles P-C4'-P energy: -9.106 tors. eta vs tors. theta energy: -17.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -291.770068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.770068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.770068 (E_RNA) where: Base-Base interactions energy: -203.480 where: short stacking energy: -93.452 Base-Backbone interact. energy: 0.233 local terms energy: -88.523378 where: bonds (distance) C4'-P energy: -14.132 bonds (distance) P-C4' energy: -19.897 flat angles C4'-P-C4' energy: -16.292 flat angles P-C4'-P energy: -14.188 tors. eta vs tors. theta energy: -24.015 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: 372 Temperature: 0.950000 Total energy: -282.022008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.022008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.022008 (E_RNA) where: Base-Base interactions energy: -197.731 where: short stacking energy: -83.939 Base-Backbone interact. energy: -1.247 local terms energy: -83.043353 where: bonds (distance) C4'-P energy: -12.284 bonds (distance) P-C4' energy: -18.477 flat angles C4'-P-C4' energy: -20.476 flat angles P-C4'-P energy: -12.492 tors. eta vs tors. theta energy: -19.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -281.750276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.750276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.750276 (E_RNA) where: Base-Base interactions energy: -197.641 where: short stacking energy: -84.116 Base-Backbone interact. energy: -2.474 local terms energy: -81.634291 where: bonds (distance) C4'-P energy: -15.013 bonds (distance) P-C4' energy: -18.454 flat angles C4'-P-C4' energy: -13.089 flat angles P-C4'-P energy: -11.669 tors. eta vs tors. theta energy: -23.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -242.791292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.791292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.791292 (E_RNA) where: Base-Base interactions energy: -161.833 where: short stacking energy: -81.255 Base-Backbone interact. energy: -0.624 local terms energy: -80.334311 where: bonds (distance) C4'-P energy: -14.624 bonds (distance) P-C4' energy: -17.981 flat angles C4'-P-C4' energy: -17.707 flat angles P-C4'-P energy: -9.208 tors. eta vs tors. theta energy: -20.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -234.797272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.797272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.797272 (E_RNA) where: Base-Base interactions energy: -154.971 where: short stacking energy: -78.443 Base-Backbone interact. energy: -0.068 local terms energy: -79.757981 where: bonds (distance) C4'-P energy: -13.688 bonds (distance) P-C4' energy: -18.337 flat angles C4'-P-C4' energy: -17.660 flat angles P-C4'-P energy: -12.813 tors. eta vs tors. theta energy: -17.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -231.434045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.434045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.434045 (E_RNA) where: Base-Base interactions energy: -157.032 where: short stacking energy: -74.345 Base-Backbone interact. energy: -0.343 local terms energy: -74.058312 where: bonds (distance) C4'-P energy: -15.296 bonds (distance) P-C4' energy: -16.504 flat angles C4'-P-C4' energy: -17.900 flat angles P-C4'-P energy: -6.084 tors. eta vs tors. theta energy: -18.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -221.884658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.884658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.884658 (E_RNA) where: Base-Base interactions energy: -147.803 where: short stacking energy: -77.734 Base-Backbone interact. energy: -0.239 local terms energy: -73.842301 where: bonds (distance) C4'-P energy: -14.169 bonds (distance) P-C4' energy: -15.881 flat angles C4'-P-C4' energy: -17.993 flat angles P-C4'-P energy: -8.452 tors. eta vs tors. theta energy: -17.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -205.696570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.696570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.696570 (E_RNA) where: Base-Base interactions energy: -141.164 where: short stacking energy: -60.030 Base-Backbone interact. energy: -0.096 local terms energy: -64.437129 where: bonds (distance) C4'-P energy: -16.743 bonds (distance) P-C4' energy: -15.911 flat angles C4'-P-C4' energy: -17.380 flat angles P-C4'-P energy: -6.764 tors. eta vs tors. theta energy: -7.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -208.992825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.992825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.992825 (E_RNA) where: Base-Base interactions energy: -143.028 where: short stacking energy: -64.821 Base-Backbone interact. energy: -0.190 local terms energy: -65.774532 where: bonds (distance) C4'-P energy: -14.152 bonds (distance) P-C4' energy: -12.775 flat angles C4'-P-C4' energy: -14.924 flat angles P-C4'-P energy: -6.622 tors. eta vs tors. theta energy: -17.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -195.599304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.599304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.599304 (E_RNA) where: Base-Base interactions energy: -132.415 where: short stacking energy: -63.460 Base-Backbone interact. energy: -0.516 local terms energy: -62.668189 where: bonds (distance) C4'-P energy: -11.020 bonds (distance) P-C4' energy: -14.567 flat angles C4'-P-C4' energy: -13.480 flat angles P-C4'-P energy: -10.014 tors. eta vs tors. theta energy: -13.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -292.852434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.852434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.852434 (E_RNA) where: Base-Base interactions energy: -209.703 where: short stacking energy: -96.077 Base-Backbone interact. energy: -1.499 local terms energy: -81.650492 where: bonds (distance) C4'-P energy: -15.515 bonds (distance) P-C4' energy: -16.856 flat angles C4'-P-C4' energy: -14.044 flat angles P-C4'-P energy: -12.470 tors. eta vs tors. theta energy: -22.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -289.504290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.504290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.504290 (E_RNA) where: Base-Base interactions energy: -208.479 where: short stacking energy: -87.912 Base-Backbone interact. energy: -1.716 local terms energy: -79.309241 where: bonds (distance) C4'-P energy: -17.551 bonds (distance) P-C4' energy: -13.849 flat angles C4'-P-C4' energy: -18.822 flat angles P-C4'-P energy: -10.044 tors. eta vs tors. theta energy: -19.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -277.265521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.265521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.265521 (E_RNA) where: Base-Base interactions energy: -191.196 where: short stacking energy: -86.377 Base-Backbone interact. energy: -2.519 local terms energy: -83.550176 where: bonds (distance) C4'-P energy: -15.398 bonds (distance) P-C4' energy: -16.418 flat angles C4'-P-C4' energy: -18.266 flat angles P-C4'-P energy: -12.179 tors. eta vs tors. theta energy: -21.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -231.979306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.979306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.979306 (E_RNA) where: Base-Base interactions energy: -149.394 where: short stacking energy: -72.220 Base-Backbone interact. energy: -0.598 local terms energy: -81.987275 where: bonds (distance) C4'-P energy: -16.905 bonds (distance) P-C4' energy: -18.766 flat angles C4'-P-C4' energy: -17.938 flat angles P-C4'-P energy: -11.591 tors. eta vs tors. theta energy: -16.787 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: 7 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -235.351217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.351217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.351217 (E_RNA) where: Base-Base interactions energy: -161.251 where: short stacking energy: -86.904 Base-Backbone interact. energy: -0.007 local terms energy: -74.092714 where: bonds (distance) C4'-P energy: -11.483 bonds (distance) P-C4' energy: -18.999 flat angles C4'-P-C4' energy: -18.356 flat angles P-C4'-P energy: -8.841 tors. eta vs tors. theta energy: -16.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -222.032816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.032816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.032816 (E_RNA) where: Base-Base interactions energy: -147.642 where: short stacking energy: -68.205 Base-Backbone interact. energy: -0.085 local terms energy: -74.304906 where: bonds (distance) C4'-P energy: -16.723 bonds (distance) P-C4' energy: -16.230 flat angles C4'-P-C4' energy: -14.457 flat angles P-C4'-P energy: -12.063 tors. eta vs tors. theta energy: -14.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -222.179569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.179569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.179569 (E_RNA) where: Base-Base interactions energy: -142.159 where: short stacking energy: -67.343 Base-Backbone interact. energy: -1.149 local terms energy: -78.871334 where: bonds (distance) C4'-P energy: -15.366 bonds (distance) P-C4' energy: -16.334 flat angles C4'-P-C4' energy: -19.351 flat angles P-C4'-P energy: -7.796 tors. eta vs tors. theta energy: -20.025 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: 8 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -222.332832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.332832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.332832 (E_RNA) where: Base-Base interactions energy: -157.021 where: short stacking energy: -78.184 Base-Backbone interact. energy: -0.136 local terms energy: -65.175701 where: bonds (distance) C4'-P energy: -13.992 bonds (distance) P-C4' energy: -11.916 flat angles C4'-P-C4' energy: -16.851 flat angles P-C4'-P energy: -3.703 tors. eta vs tors. theta energy: -18.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -205.032145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.032145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.032145 (E_RNA) where: Base-Base interactions energy: -141.377 where: short stacking energy: -62.794 Base-Backbone interact. energy: -0.850 local terms energy: -62.804909 where: bonds (distance) C4'-P energy: -9.296 bonds (distance) P-C4' energy: -16.837 flat angles C4'-P-C4' energy: -16.568 flat angles P-C4'-P energy: -6.815 tors. eta vs tors. theta energy: -13.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -204.387549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.387549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.387549 (E_RNA) where: Base-Base interactions energy: -131.438 where: short stacking energy: -55.820 Base-Backbone interact. energy: -1.041 local terms energy: -71.909116 where: bonds (distance) C4'-P energy: -16.412 bonds (distance) P-C4' energy: -20.845 flat angles C4'-P-C4' energy: -18.788 flat angles P-C4'-P energy: -4.062 tors. eta vs tors. theta energy: -11.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -292.069368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.069368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.069368 (E_RNA) where: Base-Base interactions energy: -208.554 where: short stacking energy: -97.120 Base-Backbone interact. energy: -1.441 local terms energy: -82.073745 where: bonds (distance) C4'-P energy: -13.208 bonds (distance) P-C4' energy: -15.659 flat angles C4'-P-C4' energy: -17.783 flat angles P-C4'-P energy: -13.338 tors. eta vs tors. theta energy: -22.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -291.218736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.218736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.218736 (E_RNA) where: Base-Base interactions energy: -208.665 where: short stacking energy: -89.855 Base-Backbone interact. energy: -0.324 local terms energy: -82.230139 where: bonds (distance) C4'-P energy: -16.356 bonds (distance) P-C4' energy: -14.530 flat angles C4'-P-C4' energy: -16.342 flat angles P-C4'-P energy: -11.348 tors. eta vs tors. theta energy: -23.655 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: 1 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -265.753658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.753658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.753658 (E_RNA) where: Base-Base interactions energy: -192.260 where: short stacking energy: -80.568 Base-Backbone interact. energy: -2.013 local terms energy: -71.481539 where: bonds (distance) C4'-P energy: -11.470 bonds (distance) P-C4' energy: -16.353 flat angles C4'-P-C4' energy: -14.625 flat angles P-C4'-P energy: -12.167 tors. eta vs tors. theta energy: -16.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -238.895349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.895349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.895349 (E_RNA) where: Base-Base interactions energy: -164.428 where: short stacking energy: -83.120 Base-Backbone interact. energy: -0.300 local terms energy: -74.167336 where: bonds (distance) C4'-P energy: -14.940 bonds (distance) P-C4' energy: -18.758 flat angles C4'-P-C4' energy: -17.458 flat angles P-C4'-P energy: -4.920 tors. eta vs tors. theta energy: -18.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -232.157756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.157756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.157756 (E_RNA) where: Base-Base interactions energy: -162.583 where: short stacking energy: -77.389 Base-Backbone interact. energy: -0.161 local terms energy: -69.413354 where: bonds (distance) C4'-P energy: -13.910 bonds (distance) P-C4' energy: -13.687 flat angles C4'-P-C4' energy: -18.447 flat angles P-C4'-P energy: -5.774 tors. eta vs tors. theta energy: -17.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -227.729630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.729630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.729630 (E_RNA) where: Base-Base interactions energy: -148.417 where: short stacking energy: -70.739 Base-Backbone interact. energy: -1.069 local terms energy: -78.243431 where: bonds (distance) C4'-P energy: -16.252 bonds (distance) P-C4' energy: -19.031 flat angles C4'-P-C4' energy: -18.643 flat angles P-C4'-P energy: -9.310 tors. eta vs tors. theta energy: -15.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -217.843971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.843971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.843971 (E_RNA) where: Base-Base interactions energy: -145.923 where: short stacking energy: -67.997 Base-Backbone interact. energy: -0.137 local terms energy: -71.783301 where: bonds (distance) C4'-P energy: -17.201 bonds (distance) P-C4' energy: -14.378 flat angles C4'-P-C4' energy: -18.225 flat angles P-C4'-P energy: -6.024 tors. eta vs tors. theta energy: -15.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -211.517442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.517442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.517442 (E_RNA) where: Base-Base interactions energy: -136.614 where: short stacking energy: -62.577 Base-Backbone interact. energy: -0.134 local terms energy: -74.769021 where: bonds (distance) C4'-P energy: -14.355 bonds (distance) P-C4' energy: -18.179 flat angles C4'-P-C4' energy: -17.508 flat angles P-C4'-P energy: -8.813 tors. eta vs tors. theta energy: -15.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -202.913787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.913787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.913787 (E_RNA) where: Base-Base interactions energy: -137.410 where: short stacking energy: -58.688 Base-Backbone interact. energy: -0.753 local terms energy: -64.750441 where: bonds (distance) C4'-P energy: -15.126 bonds (distance) P-C4' energy: -14.771 flat angles C4'-P-C4' energy: -15.993 flat angles P-C4'-P energy: -8.691 tors. eta vs tors. theta energy: -10.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -199.190647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.190647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.190647 (E_RNA) where: Base-Base interactions energy: -137.429 where: short stacking energy: -61.070 Base-Backbone interact. energy: -0.221 local terms energy: -61.540320 where: bonds (distance) C4'-P energy: -17.556 bonds (distance) P-C4' energy: -15.488 flat angles C4'-P-C4' energy: -13.110 flat angles P-C4'-P energy: -8.091 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: 1, replica: 3 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -288.941951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.941951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.941951 (E_RNA) where: Base-Base interactions energy: -202.113 where: short stacking energy: -92.123 Base-Backbone interact. energy: -0.658 local terms energy: -86.170514 where: bonds (distance) C4'-P energy: -14.709 bonds (distance) P-C4' energy: -16.821 flat angles C4'-P-C4' energy: -18.616 flat angles P-C4'-P energy: -14.080 tors. eta vs tors. theta energy: -21.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -299.607752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.607752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.607752 (E_RNA) where: Base-Base interactions energy: -209.656 where: short stacking energy: -92.075 Base-Backbone interact. energy: -0.577 local terms energy: -89.374294 where: bonds (distance) C4'-P energy: -16.774 bonds (distance) P-C4' energy: -20.606 flat angles C4'-P-C4' energy: -19.403 flat angles P-C4'-P energy: -7.932 tors. eta vs tors. theta energy: -24.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -269.207930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.207930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.207930 (E_RNA) where: Base-Base interactions energy: -188.991 where: short stacking energy: -76.877 Base-Backbone interact. energy: -2.043 local terms energy: -78.173335 where: bonds (distance) C4'-P energy: -18.436 bonds (distance) P-C4' energy: -15.679 flat angles C4'-P-C4' energy: -14.924 flat angles P-C4'-P energy: -12.768 tors. eta vs tors. theta energy: -16.366 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: 9 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -229.775362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.775362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.775362 (E_RNA) where: Base-Base interactions energy: -150.690 where: short stacking energy: -74.004 Base-Backbone interact. energy: -0.897 local terms energy: -78.188246 where: bonds (distance) C4'-P energy: -13.793 bonds (distance) P-C4' energy: -16.598 flat angles C4'-P-C4' energy: -20.418 flat angles P-C4'-P energy: -10.695 tors. eta vs tors. theta energy: -16.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -235.511309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.511309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.511309 (E_RNA) where: Base-Base interactions energy: -160.241 where: short stacking energy: -81.802 Base-Backbone interact. energy: -0.002 local terms energy: -75.268031 where: bonds (distance) C4'-P energy: -16.189 bonds (distance) P-C4' energy: -20.641 flat angles C4'-P-C4' energy: -14.998 flat angles P-C4'-P energy: -5.514 tors. eta vs tors. theta energy: -17.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -227.458319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.458319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.458319 (E_RNA) where: Base-Base interactions energy: -155.956 where: short stacking energy: -72.440 Base-Backbone interact. energy: -0.130 local terms energy: -71.372440 where: bonds (distance) C4'-P energy: -13.030 bonds (distance) P-C4' energy: -18.682 flat angles C4'-P-C4' energy: -14.245 flat angles P-C4'-P energy: -7.926 tors. eta vs tors. theta energy: -17.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -208.078410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.078410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.078410 (E_RNA) where: Base-Base interactions energy: -138.152 where: short stacking energy: -69.890 Base-Backbone interact. energy: 0.351 local terms energy: -70.277068 where: bonds (distance) C4'-P energy: -11.982 bonds (distance) P-C4' energy: -16.519 flat angles C4'-P-C4' energy: -14.716 flat angles P-C4'-P energy: -10.734 tors. eta vs tors. theta energy: -16.325 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: 5 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -212.044116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.044116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.044116 (E_RNA) where: Base-Base interactions energy: -143.002 where: short stacking energy: -64.811 Base-Backbone interact. energy: -0.438 local terms energy: -68.604249 where: bonds (distance) C4'-P energy: -16.206 bonds (distance) P-C4' energy: -16.342 flat angles C4'-P-C4' energy: -14.845 flat angles P-C4'-P energy: -10.192 tors. eta vs tors. theta energy: -11.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -204.250057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.250057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.250057 (E_RNA) where: Base-Base interactions energy: -137.162 where: short stacking energy: -63.795 Base-Backbone interact. energy: -0.525 local terms energy: -66.563087 where: bonds (distance) C4'-P energy: -12.514 bonds (distance) P-C4' energy: -17.700 flat angles C4'-P-C4' energy: -14.059 flat angles P-C4'-P energy: -10.066 tors. eta vs tors. theta energy: -12.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -193.044217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.044217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.044217 (E_RNA) where: Base-Base interactions energy: -125.081 where: short stacking energy: -54.468 Base-Backbone interact. energy: 0.674 local terms energy: -68.637423 where: bonds (distance) C4'-P energy: -13.764 bonds (distance) P-C4' energy: -17.178 flat angles C4'-P-C4' energy: -14.192 flat angles P-C4'-P energy: -10.366 tors. eta vs tors. theta energy: -13.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -296.599188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.599188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.599188 (E_RNA) where: Base-Base interactions energy: -205.077 where: short stacking energy: -94.349 Base-Backbone interact. energy: -2.255 local terms energy: -89.267810 where: bonds (distance) C4'-P energy: -16.993 bonds (distance) P-C4' energy: -18.846 flat angles C4'-P-C4' energy: -18.564 flat angles P-C4'-P energy: -10.266 tors. eta vs tors. theta energy: -24.599 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: 3 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -280.867326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.867326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.867326 (E_RNA) where: Base-Base interactions energy: -199.463 where: short stacking energy: -81.028 Base-Backbone interact. energy: -0.737 local terms energy: -80.667331 where: bonds (distance) C4'-P energy: -18.102 bonds (distance) P-C4' energy: -18.200 flat angles C4'-P-C4' energy: -15.694 flat angles P-C4'-P energy: -8.490 tors. eta vs tors. theta energy: -20.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -284.457539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.457539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.457539 (E_RNA) where: Base-Base interactions energy: -205.069 where: short stacking energy: -88.987 Base-Backbone interact. energy: -0.240 local terms energy: -79.148645 where: bonds (distance) C4'-P energy: -12.799 bonds (distance) P-C4' energy: -15.879 flat angles C4'-P-C4' energy: -17.729 flat angles P-C4'-P energy: -11.475 tors. eta vs tors. theta energy: -21.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -236.936859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.936859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.936859 (E_RNA) where: Base-Base interactions energy: -157.868 where: short stacking energy: -83.628 Base-Backbone interact. energy: -0.027 local terms energy: -79.042237 where: bonds (distance) C4'-P energy: -17.560 bonds (distance) P-C4' energy: -16.686 flat angles C4'-P-C4' energy: -19.483 flat angles P-C4'-P energy: -8.810 tors. eta vs tors. theta energy: -16.503 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: 6 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -232.078237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.078237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.078237 (E_RNA) where: Base-Base interactions energy: -150.031 where: short stacking energy: -74.953 Base-Backbone interact. energy: -0.002 local terms energy: -82.045978 where: bonds (distance) C4'-P energy: -17.518 bonds (distance) P-C4' energy: -15.433 flat angles C4'-P-C4' energy: -15.434 flat angles P-C4'-P energy: -11.498 tors. eta vs tors. theta energy: -22.163 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: 7 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -225.534278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.534278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.534278 (E_RNA) where: Base-Base interactions energy: -161.320 where: short stacking energy: -82.035 Base-Backbone interact. energy: -0.419 local terms energy: -63.794746 where: bonds (distance) C4'-P energy: -13.622 bonds (distance) P-C4' energy: -12.211 flat angles C4'-P-C4' energy: -10.720 flat angles P-C4'-P energy: -9.724 tors. eta vs tors. theta energy: -17.518 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: 8 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -220.377232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.377232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.377232 (E_RNA) where: Base-Base interactions energy: -143.719 where: short stacking energy: -64.727 Base-Backbone interact. energy: -0.002 local terms energy: -76.656013 where: bonds (distance) C4'-P energy: -17.738 bonds (distance) P-C4' energy: -20.169 flat angles C4'-P-C4' energy: -19.052 flat angles P-C4'-P energy: -4.906 tors. eta vs tors. theta energy: -14.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -201.252430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.252430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.252430 (E_RNA) where: Base-Base interactions energy: -138.206 where: short stacking energy: -68.863 Base-Backbone interact. energy: -0.018 local terms energy: -63.029275 where: bonds (distance) C4'-P energy: -15.416 bonds (distance) P-C4' energy: -12.288 flat angles C4'-P-C4' energy: -15.732 flat angles P-C4'-P energy: -9.235 tors. eta vs tors. theta energy: -10.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -200.953465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.953465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.953465 (E_RNA) where: Base-Base interactions energy: -127.525 where: short stacking energy: -51.183 Base-Backbone interact. energy: -0.566 local terms energy: -72.862099 where: bonds (distance) C4'-P energy: -14.985 bonds (distance) P-C4' energy: -17.361 flat angles C4'-P-C4' energy: -19.362 flat angles P-C4'-P energy: -9.610 tors. eta vs tors. theta energy: -11.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -198.993901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.993901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.993901 (E_RNA) where: Base-Base interactions energy: -135.458 where: short stacking energy: -58.824 Base-Backbone interact. energy: -0.353 local terms energy: -63.182613 where: bonds (distance) C4'-P energy: -15.349 bonds (distance) P-C4' energy: -11.307 flat angles C4'-P-C4' energy: -13.104 flat angles P-C4'-P energy: -9.163 tors. eta vs tors. theta energy: -14.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -294.457012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.457012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.457012 (E_RNA) where: Base-Base interactions energy: -207.547 where: short stacking energy: -80.196 Base-Backbone interact. energy: -0.345 local terms energy: -86.565374 where: bonds (distance) C4'-P energy: -16.090 bonds (distance) P-C4' energy: -21.116 flat angles C4'-P-C4' energy: -17.701 flat angles P-C4'-P energy: -9.770 tors. eta vs tors. theta energy: -21.888 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: 1 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -278.307296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.307296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.307296 (E_RNA) where: Base-Base interactions energy: -199.558 where: short stacking energy: -81.533 Base-Backbone interact. energy: -1.422 local terms energy: -77.327350 where: bonds (distance) C4'-P energy: -14.378 bonds (distance) P-C4' energy: -16.668 flat angles C4'-P-C4' energy: -16.208 flat angles P-C4'-P energy: -10.301 tors. eta vs tors. theta energy: -19.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -276.787551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.787551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.787551 (E_RNA) where: Base-Base interactions energy: -195.588 where: short stacking energy: -84.691 Base-Backbone interact. energy: -2.322 local terms energy: -78.877178 where: bonds (distance) C4'-P energy: -13.378 bonds (distance) P-C4' energy: -20.451 flat angles C4'-P-C4' energy: -19.083 flat angles P-C4'-P energy: -7.670 tors. eta vs tors. theta energy: -18.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -241.932642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.932642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.932642 (E_RNA) where: Base-Base interactions energy: -156.866 where: short stacking energy: -73.961 Base-Backbone interact. energy: -1.146 local terms energy: -83.919774 where: bonds (distance) C4'-P energy: -15.493 bonds (distance) P-C4' energy: -18.346 flat angles C4'-P-C4' energy: -19.700 flat angles P-C4'-P energy: -11.567 tors. eta vs tors. theta energy: -18.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -227.238337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.238337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.238337 (E_RNA) where: Base-Base interactions energy: -157.651 where: short stacking energy: -76.196 Base-Backbone interact. energy: -0.445 local terms energy: -69.142358 where: bonds (distance) C4'-P energy: -14.004 bonds (distance) P-C4' energy: -18.713 flat angles C4'-P-C4' energy: -18.533 flat angles P-C4'-P energy: -2.998 tors. eta vs tors. theta energy: -14.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -230.347935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.347935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.347935 (E_RNA) where: Base-Base interactions energy: -156.057 where: short stacking energy: -73.610 Base-Backbone interact. energy: -0.098 local terms energy: -74.192787 where: bonds (distance) C4'-P energy: -11.585 bonds (distance) P-C4' energy: -17.139 flat angles C4'-P-C4' energy: -20.208 flat angles P-C4'-P energy: -7.492 tors. eta vs tors. theta energy: -17.769 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: 7, replica: 7 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -213.924770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.924770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.924770 (E_RNA) where: Base-Base interactions energy: -143.895 where: short stacking energy: -57.766 Base-Backbone interact. energy: -0.132 local terms energy: -69.897915 where: bonds (distance) C4'-P energy: -15.109 bonds (distance) P-C4' energy: -14.792 flat angles C4'-P-C4' energy: -15.738 flat angles P-C4'-P energy: -8.657 tors. eta vs tors. theta energy: -15.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -206.722091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.722091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.722091 (E_RNA) where: Base-Base interactions energy: -140.132 where: short stacking energy: -60.842 Base-Backbone interact. energy: 0.177 local terms energy: -66.767461 where: bonds (distance) C4'-P energy: -13.688 bonds (distance) P-C4' energy: -11.565 flat angles C4'-P-C4' energy: -16.783 flat angles P-C4'-P energy: -9.838 tors. eta vs tors. theta energy: -14.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -204.394547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.394547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.394547 (E_RNA) where: Base-Base interactions energy: -133.217 where: short stacking energy: -54.239 Base-Backbone interact. energy: -0.651 local terms energy: -70.526738 where: bonds (distance) C4'-P energy: -17.597 bonds (distance) P-C4' energy: -16.258 flat angles C4'-P-C4' energy: -16.894 flat angles P-C4'-P energy: -7.368 tors. eta vs tors. theta energy: -12.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -214.244611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.244611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.244611 (E_RNA) where: Base-Base interactions energy: -146.854 where: short stacking energy: -60.557 Base-Backbone interact. energy: -0.071 local terms energy: -67.320062 where: bonds (distance) C4'-P energy: -17.957 bonds (distance) P-C4' energy: -16.265 flat angles C4'-P-C4' energy: -15.196 flat angles P-C4'-P energy: -4.045 tors. eta vs tors. theta energy: -13.857 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: 10 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -289.040033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.040033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.040033 (E_RNA) where: Base-Base interactions energy: -204.536 where: short stacking energy: -83.852 Base-Backbone interact. energy: -0.715 local terms energy: -83.789181 where: bonds (distance) C4'-P energy: -18.358 bonds (distance) P-C4' energy: -17.187 flat angles C4'-P-C4' energy: -19.047 flat angles P-C4'-P energy: -12.473 tors. eta vs tors. theta energy: -16.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -281.823154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.823154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.823154 (E_RNA) where: Base-Base interactions energy: -196.885 where: short stacking energy: -86.591 Base-Backbone interact. energy: -0.035 local terms energy: -84.902658 where: bonds (distance) C4'-P energy: -15.030 bonds (distance) P-C4' energy: -18.310 flat angles C4'-P-C4' energy: -17.842 flat angles P-C4'-P energy: -12.905 tors. eta vs tors. theta energy: -20.815 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: 3 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -286.643716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.643716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.643716 (E_RNA) where: Base-Base interactions energy: -202.584 where: short stacking energy: -89.730 Base-Backbone interact. energy: -2.103 local terms energy: -81.956666 where: bonds (distance) C4'-P energy: -15.858 bonds (distance) P-C4' energy: -17.508 flat angles C4'-P-C4' energy: -16.245 flat angles P-C4'-P energy: -8.122 tors. eta vs tors. theta energy: -24.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -238.807199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.807199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.807199 (E_RNA) where: Base-Base interactions energy: -159.873 where: short stacking energy: -83.448 Base-Backbone interact. energy: -0.136 local terms energy: -78.799016 where: bonds (distance) C4'-P energy: -17.196 bonds (distance) P-C4' energy: -16.663 flat angles C4'-P-C4' energy: -18.603 flat angles P-C4'-P energy: -10.708 tors. eta vs tors. theta energy: -15.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -234.597051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.597051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.597051 (E_RNA) where: Base-Base interactions energy: -156.195 where: short stacking energy: -80.920 Base-Backbone interact. energy: -1.487 local terms energy: -76.914328 where: bonds (distance) C4'-P energy: -10.771 bonds (distance) P-C4' energy: -14.788 flat angles C4'-P-C4' energy: -16.364 flat angles P-C4'-P energy: -13.643 tors. eta vs tors. theta energy: -21.348 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: 9 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -228.615748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.615748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.615748 (E_RNA) where: Base-Base interactions energy: -162.045 where: short stacking energy: -77.502 Base-Backbone interact. energy: -0.765 local terms energy: -65.805873 where: bonds (distance) C4'-P energy: -15.038 bonds (distance) P-C4' energy: -13.541 flat angles C4'-P-C4' energy: -17.040 flat angles P-C4'-P energy: -7.044 tors. eta vs tors. theta energy: -13.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -213.624942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.624942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.624942 (E_RNA) where: Base-Base interactions energy: -137.250 where: short stacking energy: -68.968 Base-Backbone interact. energy: -0.228 local terms energy: -76.147360 where: bonds (distance) C4'-P energy: -15.936 bonds (distance) P-C4' energy: -11.289 flat angles C4'-P-C4' energy: -20.336 flat angles P-C4'-P energy: -13.580 tors. eta vs tors. theta energy: -15.006 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: 7 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -207.736846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.736846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.736846 (E_RNA) where: Base-Base interactions energy: -142.756 where: short stacking energy: -70.004 Base-Backbone interact. energy: -0.696 local terms energy: -64.284470 where: bonds (distance) C4'-P energy: -15.298 bonds (distance) P-C4' energy: -16.018 flat angles C4'-P-C4' energy: -15.386 flat angles P-C4'-P energy: -4.916 tors. eta vs tors. theta energy: -12.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -209.783862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.783862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.783862 (E_RNA) where: Base-Base interactions energy: -140.208 where: short stacking energy: -61.604 Base-Backbone interact. energy: -0.141 local terms energy: -69.434881 where: bonds (distance) C4'-P energy: -14.088 bonds (distance) P-C4' energy: -18.823 flat angles C4'-P-C4' energy: -16.481 flat angles P-C4'-P energy: -2.338 tors. eta vs tors. theta energy: -17.704 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: 4 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -205.354115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.354115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.354115 (E_RNA) where: Base-Base interactions energy: -134.621 where: short stacking energy: -57.116 Base-Backbone interact. energy: -0.139 local terms energy: -70.594224 where: bonds (distance) C4'-P energy: -15.498 bonds (distance) P-C4' energy: -16.259 flat angles C4'-P-C4' energy: -15.457 flat angles P-C4'-P energy: -9.843 tors. eta vs tors. theta energy: -13.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -287.049095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.049095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.049095 (E_RNA) where: Base-Base interactions energy: -201.136 where: short stacking energy: -84.340 Base-Backbone interact. energy: 0.817 local terms energy: -86.730199 where: bonds (distance) C4'-P energy: -15.776 bonds (distance) P-C4' energy: -19.408 flat angles C4'-P-C4' energy: -17.926 flat angles P-C4'-P energy: -9.763 tors. eta vs tors. theta energy: -23.857 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: 3 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -292.444906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.444906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.444906 (E_RNA) where: Base-Base interactions energy: -202.958 where: short stacking energy: -90.016 Base-Backbone interact. energy: -3.371 local terms energy: -86.115942 where: bonds (distance) C4'-P energy: -19.157 bonds (distance) P-C4' energy: -16.740 flat angles C4'-P-C4' energy: -17.314 flat angles P-C4'-P energy: -10.666 tors. eta vs tors. theta energy: -22.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -274.745091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.745091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.745091 (E_RNA) where: Base-Base interactions energy: -202.077 where: short stacking energy: -83.385 Base-Backbone interact. energy: -0.464 local terms energy: -72.204547 where: bonds (distance) C4'-P energy: -14.687 bonds (distance) P-C4' energy: -17.712 flat angles C4'-P-C4' energy: -19.894 flat angles P-C4'-P energy: -3.644 tors. eta vs tors. theta energy: -16.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -255.437592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.437592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.437592 (E_RNA) where: Base-Base interactions energy: -174.487 where: short stacking energy: -84.344 Base-Backbone interact. energy: -0.290 local terms energy: -80.660834 where: bonds (distance) C4'-P energy: -16.533 bonds (distance) P-C4' energy: -18.237 flat angles C4'-P-C4' energy: -15.913 flat angles P-C4'-P energy: -5.792 tors. eta vs tors. theta energy: -24.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -232.525729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.525729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.525729 (E_RNA) where: Base-Base interactions energy: -158.225 where: short stacking energy: -83.646 Base-Backbone interact. energy: -0.689 local terms energy: -73.612135 where: bonds (distance) C4'-P energy: -13.279 bonds (distance) P-C4' energy: -17.253 flat angles C4'-P-C4' energy: -17.623 flat angles P-C4'-P energy: -6.272 tors. eta vs tors. theta energy: -19.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -224.813411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.813411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.813411 (E_RNA) where: Base-Base interactions energy: -154.115 where: short stacking energy: -76.661 Base-Backbone interact. energy: -0.132 local terms energy: -70.566212 where: bonds (distance) C4'-P energy: -16.902 bonds (distance) P-C4' energy: -14.873 flat angles C4'-P-C4' energy: -14.808 flat angles P-C4'-P energy: -7.996 tors. eta vs tors. theta energy: -15.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -214.348444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.348444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.348444 (E_RNA) where: Base-Base interactions energy: -149.464 where: short stacking energy: -72.615 Base-Backbone interact. energy: 0.263 local terms energy: -65.147688 where: bonds (distance) C4'-P energy: -12.711 bonds (distance) P-C4' energy: -16.184 flat angles C4'-P-C4' energy: -13.039 flat angles P-C4'-P energy: -6.419 tors. eta vs tors. theta energy: -16.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -209.871524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.871524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.871524 (E_RNA) where: Base-Base interactions energy: -133.600 where: short stacking energy: -67.283 Base-Backbone interact. energy: -0.841 local terms energy: -75.430662 where: bonds (distance) C4'-P energy: -15.167 bonds (distance) P-C4' energy: -16.782 flat angles C4'-P-C4' energy: -17.785 flat angles P-C4'-P energy: -11.382 tors. eta vs tors. theta energy: -14.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -198.288761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.288761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.288761 (E_RNA) where: Base-Base interactions energy: -142.541 where: short stacking energy: -60.822 Base-Backbone interact. energy: 0.306 local terms energy: -56.054304 where: bonds (distance) C4'-P energy: -9.508 bonds (distance) P-C4' energy: -13.960 flat angles C4'-P-C4' energy: -16.673 flat angles P-C4'-P energy: -2.104 tors. eta vs tors. theta energy: -13.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -196.755778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.755778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.755778 (E_RNA) where: Base-Base interactions energy: -127.342 where: short stacking energy: -52.895 Base-Backbone interact. energy: -0.272 local terms energy: -69.142077 where: bonds (distance) C4'-P energy: -18.110 bonds (distance) P-C4' energy: -16.829 flat angles C4'-P-C4' energy: -15.470 flat angles P-C4'-P energy: -9.610 tors. eta vs tors. theta energy: -9.123 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: 3 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -298.646076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.646076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.646076 (E_RNA) where: Base-Base interactions energy: -207.393 where: short stacking energy: -89.553 Base-Backbone interact. energy: -3.019 local terms energy: -88.233265 where: bonds (distance) C4'-P energy: -18.861 bonds (distance) P-C4' energy: -17.166 flat angles C4'-P-C4' energy: -19.824 flat angles P-C4'-P energy: -10.347 tors. eta vs tors. theta energy: -22.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -284.944014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.944014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.944014 (E_RNA) where: Base-Base interactions energy: -205.458 where: short stacking energy: -84.925 Base-Backbone interact. energy: -0.294 local terms energy: -79.191966 where: bonds (distance) C4'-P energy: -13.375 bonds (distance) P-C4' energy: -16.718 flat angles C4'-P-C4' energy: -17.578 flat angles P-C4'-P energy: -10.243 tors. eta vs tors. theta energy: -21.278 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: 8 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -248.783559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.783559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.783559 (E_RNA) where: Base-Base interactions energy: -170.118 where: short stacking energy: -87.934 Base-Backbone interact. energy: -0.131 local terms energy: -78.534568 where: bonds (distance) C4'-P energy: -12.462 bonds (distance) P-C4' energy: -15.899 flat angles C4'-P-C4' energy: -18.983 flat angles P-C4'-P energy: -11.487 tors. eta vs tors. theta energy: -19.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -271.139638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.139638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.139638 (E_RNA) where: Base-Base interactions energy: -191.992 where: short stacking energy: -79.262 Base-Backbone interact. energy: -0.669 local terms energy: -78.479427 where: bonds (distance) C4'-P energy: -17.549 bonds (distance) P-C4' energy: -16.733 flat angles C4'-P-C4' energy: -16.620 flat angles P-C4'-P energy: -7.295 tors. eta vs tors. theta energy: -20.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -239.208655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.208655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.208655 (E_RNA) where: Base-Base interactions energy: -164.543 where: short stacking energy: -82.174 Base-Backbone interact. energy: -0.267 local terms energy: -74.399062 where: bonds (distance) C4'-P energy: -16.616 bonds (distance) P-C4' energy: -14.144 flat angles C4'-P-C4' energy: -16.097 flat angles P-C4'-P energy: -11.299 tors. eta vs tors. theta energy: -16.242 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: 6, replica: 6 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -219.010750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.010750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.010750 (E_RNA) where: Base-Base interactions energy: -146.070 where: short stacking energy: -72.901 Base-Backbone interact. energy: -0.231 local terms energy: -72.709543 where: bonds (distance) C4'-P energy: -13.598 bonds (distance) P-C4' energy: -18.883 flat angles C4'-P-C4' energy: -16.520 flat angles P-C4'-P energy: -8.470 tors. eta vs tors. theta energy: -15.238 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: 9 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -215.059472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.059472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.059472 (E_RNA) where: Base-Base interactions energy: -141.099 where: short stacking energy: -65.231 Base-Backbone interact. energy: -0.075 local terms energy: -73.885981 where: bonds (distance) C4'-P energy: -15.448 bonds (distance) P-C4' energy: -18.781 flat angles C4'-P-C4' energy: -11.673 flat angles P-C4'-P energy: -12.739 tors. eta vs tors. theta energy: -15.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -215.314436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.314436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.314436 (E_RNA) where: Base-Base interactions energy: -150.413 where: short stacking energy: -71.575 Base-Backbone interact. energy: -0.006 local terms energy: -64.895566 where: bonds (distance) C4'-P energy: -12.994 bonds (distance) P-C4' energy: -15.783 flat angles C4'-P-C4' energy: -16.792 flat angles P-C4'-P energy: 0.962 tors. eta vs tors. theta energy: -20.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -220.803391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.803391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.803391 (E_RNA) where: Base-Base interactions energy: -143.996 where: short stacking energy: -68.264 Base-Backbone interact. energy: 0.235 local terms energy: -77.042635 where: bonds (distance) C4'-P energy: -17.617 bonds (distance) P-C4' energy: -17.261 flat angles C4'-P-C4' energy: -17.930 flat angles P-C4'-P energy: -5.661 tors. eta vs tors. theta energy: -18.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -198.213192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.213192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.213192 (E_RNA) where: Base-Base interactions energy: -131.918 where: short stacking energy: -54.679 Base-Backbone interact. energy: -0.131 local terms energy: -66.163758 where: bonds (distance) C4'-P energy: -13.686 bonds (distance) P-C4' energy: -14.142 flat angles C4'-P-C4' energy: -14.856 flat angles P-C4'-P energy: -7.437 tors. eta vs tors. theta energy: -16.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -296.224762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.224762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.224762 (E_RNA) where: Base-Base interactions energy: -210.642 where: short stacking energy: -91.750 Base-Backbone interact. energy: -1.546 local terms energy: -84.037410 where: bonds (distance) C4'-P energy: -17.771 bonds (distance) P-C4' energy: -17.861 flat angles C4'-P-C4' energy: -16.525 flat angles P-C4'-P energy: -8.591 tors. eta vs tors. theta energy: -23.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -288.565809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.565809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.565809 (E_RNA) where: Base-Base interactions energy: -201.021 where: short stacking energy: -91.375 Base-Backbone interact. energy: -1.147 local terms energy: -86.397395 where: bonds (distance) C4'-P energy: -19.225 bonds (distance) P-C4' energy: -17.023 flat angles C4'-P-C4' energy: -17.099 flat angles P-C4'-P energy: -12.625 tors. eta vs tors. theta energy: -20.426 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: 8 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -266.469908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.469908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.469908 (E_RNA) where: Base-Base interactions energy: -183.298 where: short stacking energy: -85.756 Base-Backbone interact. energy: -0.128 local terms energy: -83.043633 where: bonds (distance) C4'-P energy: -18.338 bonds (distance) P-C4' energy: -17.076 flat angles C4'-P-C4' energy: -14.417 flat angles P-C4'-P energy: -11.330 tors. eta vs tors. theta energy: -21.882 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: 1 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -281.023721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.023721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.023721 (E_RNA) where: Base-Base interactions energy: -200.848 where: short stacking energy: -88.042 Base-Backbone interact. energy: -2.039 local terms energy: -78.137228 where: bonds (distance) C4'-P energy: -10.947 bonds (distance) P-C4' energy: -14.981 flat angles C4'-P-C4' energy: -14.604 flat angles P-C4'-P energy: -12.702 tors. eta vs tors. theta energy: -24.904 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: 5 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -234.882618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.882618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.882618 (E_RNA) where: Base-Base interactions energy: -160.577 where: short stacking energy: -76.412 Base-Backbone interact. energy: -0.100 local terms energy: -74.205310 where: bonds (distance) C4'-P energy: -14.211 bonds (distance) P-C4' energy: -16.390 flat angles C4'-P-C4' energy: -18.257 flat angles P-C4'-P energy: -5.035 tors. eta vs tors. theta energy: -20.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -221.808116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.808116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.808116 (E_RNA) where: Base-Base interactions energy: -142.785 where: short stacking energy: -69.113 Base-Backbone interact. energy: -0.041 local terms energy: -78.981791 where: bonds (distance) C4'-P energy: -14.156 bonds (distance) P-C4' energy: -18.569 flat angles C4'-P-C4' energy: -18.862 flat angles P-C4'-P energy: -14.260 tors. eta vs tors. theta energy: -13.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -207.694285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.694285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.694285 (E_RNA) where: Base-Base interactions energy: -145.339 where: short stacking energy: -66.470 Base-Backbone interact. energy: -0.165 local terms energy: -62.190148 where: bonds (distance) C4'-P energy: -9.968 bonds (distance) P-C4' energy: -17.065 flat angles C4'-P-C4' energy: -14.584 flat angles P-C4'-P energy: -4.166 tors. eta vs tors. theta energy: -16.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -215.538969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.538969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.538969 (E_RNA) where: Base-Base interactions energy: -138.980 where: short stacking energy: -67.996 Base-Backbone interact. energy: -0.416 local terms energy: -76.143284 where: bonds (distance) C4'-P energy: -13.706 bonds (distance) P-C4' energy: -16.122 flat angles C4'-P-C4' energy: -19.188 flat angles P-C4'-P energy: -12.404 tors. eta vs tors. theta energy: -14.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -204.465052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.465052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.465052 (E_RNA) where: Base-Base interactions energy: -136.124 where: short stacking energy: -63.578 Base-Backbone interact. energy: -0.040 local terms energy: -68.301620 where: bonds (distance) C4'-P energy: -8.755 bonds (distance) P-C4' energy: -17.004 flat angles C4'-P-C4' energy: -14.974 flat angles P-C4'-P energy: -7.357 tors. eta vs tors. theta energy: -20.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -200.626232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.626232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.626232 (E_RNA) where: Base-Base interactions energy: -126.453 where: short stacking energy: -59.968 Base-Backbone interact. energy: -0.265 local terms energy: -73.907447 where: bonds (distance) C4'-P energy: -13.615 bonds (distance) P-C4' energy: -16.153 flat angles C4'-P-C4' energy: -17.091 flat angles P-C4'-P energy: -11.372 tors. eta vs tors. theta energy: -15.677 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: 10 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -290.083565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.083565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.083565 (E_RNA) where: Base-Base interactions energy: -204.733 where: short stacking energy: -82.301 Base-Backbone interact. energy: -0.139 local terms energy: -85.211569 where: bonds (distance) C4'-P energy: -13.339 bonds (distance) P-C4' energy: -20.395 flat angles C4'-P-C4' energy: -19.060 flat angles P-C4'-P energy: -10.190 tors. eta vs tors. theta energy: -22.228 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: 3 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -282.919350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.919350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.919350 (E_RNA) where: Base-Base interactions energy: -194.861 where: short stacking energy: -84.410 Base-Backbone interact. energy: -3.201 local terms energy: -84.857742 where: bonds (distance) C4'-P energy: -14.251 bonds (distance) P-C4' energy: -17.344 flat angles C4'-P-C4' energy: -18.148 flat angles P-C4'-P energy: -12.803 tors. eta vs tors. theta energy: -22.311 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: 1 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -263.623987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.623987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.623987 (E_RNA) where: Base-Base interactions energy: -186.789 where: short stacking energy: -83.768 Base-Backbone interact. energy: -1.108 local terms energy: -75.726879 where: bonds (distance) C4'-P energy: -18.508 bonds (distance) P-C4' energy: -17.058 flat angles C4'-P-C4' energy: -16.009 flat angles P-C4'-P energy: -7.574 tors. eta vs tors. theta energy: -16.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -240.975909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.975909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.975909 (E_RNA) where: Base-Base interactions energy: -169.811 where: short stacking energy: -82.484 Base-Backbone interact. energy: -0.639 local terms energy: -70.526512 where: bonds (distance) C4'-P energy: -15.469 bonds (distance) P-C4' energy: -18.334 flat angles C4'-P-C4' energy: -17.538 flat angles P-C4'-P energy: -5.374 tors. eta vs tors. theta energy: -13.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -234.609709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.609709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.609709 (E_RNA) where: Base-Base interactions energy: -155.251 where: short stacking energy: -78.508 Base-Backbone interact. energy: -0.873 local terms energy: -78.485784 where: bonds (distance) C4'-P energy: -13.718 bonds (distance) P-C4' energy: -18.650 flat angles C4'-P-C4' energy: -17.572 flat angles P-C4'-P energy: -10.828 tors. eta vs tors. theta energy: -17.717 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: 6, replica: 9 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -230.285794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.285794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.285794 (E_RNA) where: Base-Base interactions energy: -155.880 where: short stacking energy: -67.663 Base-Backbone interact. energy: -0.226 local terms energy: -74.179407 where: bonds (distance) C4'-P energy: -18.668 bonds (distance) P-C4' energy: -13.849 flat angles C4'-P-C4' energy: -16.551 flat angles P-C4'-P energy: -10.632 tors. eta vs tors. theta energy: -14.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -231.507759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.507759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.507759 (E_RNA) where: Base-Base interactions energy: -152.812 where: short stacking energy: -75.852 Base-Backbone interact. energy: -0.475 local terms energy: -78.220740 where: bonds (distance) C4'-P energy: -12.779 bonds (distance) P-C4' energy: -17.111 flat angles C4'-P-C4' energy: -16.914 flat angles P-C4'-P energy: -12.705 tors. eta vs tors. theta energy: -18.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -208.884214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.884214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.884214 (E_RNA) where: Base-Base interactions energy: -144.135 where: short stacking energy: -67.726 Base-Backbone interact. energy: -0.374 local terms energy: -64.375515 where: bonds (distance) C4'-P energy: -11.743 bonds (distance) P-C4' energy: -13.565 flat angles C4'-P-C4' energy: -10.388 flat angles P-C4'-P energy: -15.267 tors. eta vs tors. theta energy: -13.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -205.284342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.284342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.284342 (E_RNA) where: Base-Base interactions energy: -139.246 where: short stacking energy: -58.299 Base-Backbone interact. energy: -1.032 local terms energy: -65.006542 where: bonds (distance) C4'-P energy: -15.970 bonds (distance) P-C4' energy: -12.765 flat angles C4'-P-C4' energy: -12.712 flat angles P-C4'-P energy: -8.702 tors. eta vs tors. theta energy: -14.858 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: 7 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -200.864660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.864660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.864660 (E_RNA) where: Base-Base interactions energy: -143.106 where: short stacking energy: -59.586 Base-Backbone interact. energy: -0.020 local terms energy: -57.738846 where: bonds (distance) C4'-P energy: -12.098 bonds (distance) P-C4' energy: -12.490 flat angles C4'-P-C4' energy: -7.810 flat angles P-C4'-P energy: -14.928 tors. eta vs tors. theta energy: -10.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -294.838501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.838501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.838501 (E_RNA) where: Base-Base interactions energy: -210.892 where: short stacking energy: -96.584 Base-Backbone interact. energy: -1.411 local terms energy: -82.535717 where: bonds (distance) C4'-P energy: -14.154 bonds (distance) P-C4' energy: -17.476 flat angles C4'-P-C4' energy: -19.591 flat angles P-C4'-P energy: -9.562 tors. eta vs tors. theta energy: -21.752 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: 3 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -288.003850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.003850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.003850 (E_RNA) where: Base-Base interactions energy: -201.434 where: short stacking energy: -86.257 Base-Backbone interact. energy: -1.403 local terms energy: -85.167107 where: bonds (distance) C4'-P energy: -18.153 bonds (distance) P-C4' energy: -17.629 flat angles C4'-P-C4' energy: -19.126 flat angles P-C4'-P energy: -10.153 tors. eta vs tors. theta energy: -20.107 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: 1 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -263.502035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.502035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.502035 (E_RNA) where: Base-Base interactions energy: -184.294 where: short stacking energy: -76.191 Base-Backbone interact. energy: -0.464 local terms energy: -78.743962 where: bonds (distance) C4'-P energy: -19.956 bonds (distance) P-C4' energy: -10.100 flat angles C4'-P-C4' energy: -19.697 flat angles P-C4'-P energy: -11.201 tors. eta vs tors. theta energy: -17.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -236.755732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.755732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.755732 (E_RNA) where: Base-Base interactions energy: -158.250 where: short stacking energy: -77.317 Base-Backbone interact. energy: -0.678 local terms energy: -77.827780 where: bonds (distance) C4'-P energy: -17.186 bonds (distance) P-C4' energy: -18.604 flat angles C4'-P-C4' energy: -17.818 flat angles P-C4'-P energy: -5.665 tors. eta vs tors. theta energy: -18.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -224.921486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.921486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.921486 (E_RNA) where: Base-Base interactions energy: -150.384 where: short stacking energy: -73.827 Base-Backbone interact. energy: -0.162 local terms energy: -74.375552 where: bonds (distance) C4'-P energy: -17.167 bonds (distance) P-C4' energy: -15.900 flat angles C4'-P-C4' energy: -16.372 flat angles P-C4'-P energy: -6.876 tors. eta vs tors. theta energy: -18.060 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: 6, replica: 4 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -221.917952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.917952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.917952 (E_RNA) where: Base-Base interactions energy: -148.746 where: short stacking energy: -68.102 Base-Backbone interact. energy: 0.835 local terms energy: -74.006447 where: bonds (distance) C4'-P energy: -14.672 bonds (distance) P-C4' energy: -19.454 flat angles C4'-P-C4' energy: -17.245 flat angles P-C4'-P energy: -5.545 tors. eta vs tors. theta energy: -17.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -217.318605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.318605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.318605 (E_RNA) where: Base-Base interactions energy: -152.209 where: short stacking energy: -76.154 Base-Backbone interact. energy: -0.309 local terms energy: -64.800543 where: bonds (distance) C4'-P energy: -8.939 bonds (distance) P-C4' energy: -13.785 flat angles C4'-P-C4' energy: -16.585 flat angles P-C4'-P energy: -7.899 tors. eta vs tors. theta energy: -17.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -208.012037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.012037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.012037 (E_RNA) where: Base-Base interactions energy: -141.797 where: short stacking energy: -64.791 Base-Backbone interact. energy: 0.359 local terms energy: -66.574054 where: bonds (distance) C4'-P energy: -16.122 bonds (distance) P-C4' energy: -9.827 flat angles C4'-P-C4' energy: -16.652 flat angles P-C4'-P energy: -11.612 tors. eta vs tors. theta energy: -12.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -202.531491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.531491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.531491 (E_RNA) where: Base-Base interactions energy: -132.177 where: short stacking energy: -61.716 Base-Backbone interact. energy: -1.366 local terms energy: -68.988367 where: bonds (distance) C4'-P energy: -18.735 bonds (distance) P-C4' energy: -14.717 flat angles C4'-P-C4' energy: -12.812 flat angles P-C4'-P energy: -10.744 tors. eta vs tors. theta energy: -11.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -193.831971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.831971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.831971 (E_RNA) where: Base-Base interactions energy: -137.530 where: short stacking energy: -62.937 Base-Backbone interact. energy: -0.136 local terms energy: -56.166236 where: bonds (distance) C4'-P energy: -11.064 bonds (distance) P-C4' energy: -14.025 flat angles C4'-P-C4' energy: -8.865 flat angles P-C4'-P energy: -8.047 tors. eta vs tors. theta energy: -14.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -292.741635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.741635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.741635 (E_RNA) where: Base-Base interactions energy: -210.979 where: short stacking energy: -96.087 Base-Backbone interact. energy: -0.187 local terms energy: -81.575570 where: bonds (distance) C4'-P energy: -14.724 bonds (distance) P-C4' energy: -15.757 flat angles C4'-P-C4' energy: -18.315 flat angles P-C4'-P energy: -10.427 tors. eta vs tors. theta energy: -22.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -289.889974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.889974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.889974 (E_RNA) where: Base-Base interactions energy: -202.147 where: short stacking energy: -86.002 Base-Backbone interact. energy: -0.737 local terms energy: -87.006051 where: bonds (distance) C4'-P energy: -19.725 bonds (distance) P-C4' energy: -15.374 flat angles C4'-P-C4' energy: -15.495 flat angles P-C4'-P energy: -13.051 tors. eta vs tors. theta energy: -23.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -282.675781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.675781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.675781 (E_RNA) where: Base-Base interactions energy: -197.620 where: short stacking energy: -90.187 Base-Backbone interact. energy: -1.292 local terms energy: -83.763681 where: bonds (distance) C4'-P energy: -15.638 bonds (distance) P-C4' energy: -17.170 flat angles C4'-P-C4' energy: -19.854 flat angles P-C4'-P energy: -9.447 tors. eta vs tors. theta energy: -21.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -240.891993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.891993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.891993 (E_RNA) where: Base-Base interactions energy: -160.491 where: short stacking energy: -74.468 Base-Backbone interact. energy: -0.283 local terms energy: -80.118729 where: bonds (distance) C4'-P energy: -16.765 bonds (distance) P-C4' energy: -17.693 flat angles C4'-P-C4' energy: -16.030 flat angles P-C4'-P energy: -11.318 tors. eta vs tors. theta energy: -18.312 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: 5, replica: 4 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -229.434472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.434472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.434472 (E_RNA) where: Base-Base interactions energy: -152.026 where: short stacking energy: -75.214 Base-Backbone interact. energy: -1.789 local terms energy: -75.618951 where: bonds (distance) C4'-P energy: -12.950 bonds (distance) P-C4' energy: -14.907 flat angles C4'-P-C4' energy: -16.022 flat angles P-C4'-P energy: -12.698 tors. eta vs tors. theta energy: -19.042 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: 8 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -225.033623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.033623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.033623 (E_RNA) where: Base-Base interactions energy: -156.291 where: short stacking energy: -76.054 Base-Backbone interact. energy: -0.182 local terms energy: -68.559812 where: bonds (distance) C4'-P energy: -16.815 bonds (distance) P-C4' energy: -15.346 flat angles C4'-P-C4' energy: -20.637 flat angles P-C4'-P energy: -3.163 tors. eta vs tors. theta energy: -12.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -210.233816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.233816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.233816 (E_RNA) where: Base-Base interactions energy: -139.742 where: short stacking energy: -68.464 Base-Backbone interact. energy: -0.443 local terms energy: -70.048047 where: bonds (distance) C4'-P energy: -16.209 bonds (distance) P-C4' energy: -14.070 flat angles C4'-P-C4' energy: -18.936 flat angles P-C4'-P energy: -9.469 tors. eta vs tors. theta energy: -11.363 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: 9 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -208.413624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.413624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.413624 (E_RNA) where: Base-Base interactions energy: -143.573 where: short stacking energy: -69.563 Base-Backbone interact. energy: -0.004 local terms energy: -64.836386 where: bonds (distance) C4'-P energy: -13.816 bonds (distance) P-C4' energy: -12.004 flat angles C4'-P-C4' energy: -16.357 flat angles P-C4'-P energy: -6.301 tors. eta vs tors. theta energy: -16.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -197.575528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.575528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.575528 (E_RNA) where: Base-Base interactions energy: -129.242 where: short stacking energy: -64.301 Base-Backbone interact. energy: -0.080 local terms energy: -68.253264 where: bonds (distance) C4'-P energy: -16.014 bonds (distance) P-C4' energy: -14.895 flat angles C4'-P-C4' energy: -12.753 flat angles P-C4'-P energy: -10.295 tors. eta vs tors. theta energy: -14.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -186.022496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.022496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.022496 (E_RNA) where: Base-Base interactions energy: -130.052 where: short stacking energy: -52.383 Base-Backbone interact. energy: -0.120 local terms energy: -55.850564 where: bonds (distance) C4'-P energy: -9.318 bonds (distance) P-C4' energy: -11.362 flat angles C4'-P-C4' energy: -12.313 flat angles P-C4'-P energy: -11.917 tors. eta vs tors. theta energy: -10.940 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: 3 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -292.640016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.640016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.640016 (E_RNA) where: Base-Base interactions energy: -204.793 where: short stacking energy: -89.293 Base-Backbone interact. energy: -0.806 local terms energy: -87.040569 where: bonds (distance) C4'-P energy: -17.447 bonds (distance) P-C4' energy: -20.345 flat angles C4'-P-C4' energy: -18.684 flat angles P-C4'-P energy: -9.391 tors. eta vs tors. theta energy: -21.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -288.061719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.061719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.061719 (E_RNA) where: Base-Base interactions energy: -200.696 where: short stacking energy: -94.113 Base-Backbone interact. energy: -1.448 local terms energy: -85.917148 where: bonds (distance) C4'-P energy: -17.637 bonds (distance) P-C4' energy: -19.678 flat angles C4'-P-C4' energy: -17.666 flat angles P-C4'-P energy: -9.596 tors. eta vs tors. theta energy: -21.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -275.182493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.182493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.182493 (E_RNA) where: Base-Base interactions energy: -186.894 where: short stacking energy: -86.948 Base-Backbone interact. energy: 2.040 local terms energy: -90.328225 where: bonds (distance) C4'-P energy: -17.391 bonds (distance) P-C4' energy: -18.454 flat angles C4'-P-C4' energy: -18.748 flat angles P-C4'-P energy: -12.770 tors. eta vs tors. theta energy: -22.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -243.277075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.277075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.277075 (E_RNA) where: Base-Base interactions energy: -167.062 where: short stacking energy: -81.105 Base-Backbone interact. energy: -0.370 local terms energy: -75.844401 where: bonds (distance) C4'-P energy: -13.263 bonds (distance) P-C4' energy: -18.234 flat angles C4'-P-C4' energy: -17.660 flat angles P-C4'-P energy: -9.789 tors. eta vs tors. theta energy: -16.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -237.028740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.028740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.028740 (E_RNA) where: Base-Base interactions energy: -158.972 where: short stacking energy: -71.906 Base-Backbone interact. energy: -0.435 local terms energy: -77.621364 where: bonds (distance) C4'-P energy: -17.026 bonds (distance) P-C4' energy: -16.738 flat angles C4'-P-C4' energy: -15.415 flat angles P-C4'-P energy: -10.560 tors. eta vs tors. theta energy: -17.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -221.581222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.581222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.581222 (E_RNA) where: Base-Base interactions energy: -153.246 where: short stacking energy: -70.914 Base-Backbone interact. energy: -0.635 local terms energy: -67.699907 where: bonds (distance) C4'-P energy: -15.457 bonds (distance) P-C4' energy: -13.831 flat angles C4'-P-C4' energy: -18.005 flat angles P-C4'-P energy: -7.977 tors. eta vs tors. theta energy: -12.431 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: 385 Temperature: 1.200000 Total energy: -208.427524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.427524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.427524 (E_RNA) where: Base-Base interactions energy: -137.039 where: short stacking energy: -57.950 Base-Backbone interact. energy: -0.068 local terms energy: -71.319912 where: bonds (distance) C4'-P energy: -19.026 bonds (distance) P-C4' energy: -16.367 flat angles C4'-P-C4' energy: -17.576 flat angles P-C4'-P energy: -7.372 tors. eta vs tors. theta energy: -10.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -215.542375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.542375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.542375 (E_RNA) where: Base-Base interactions energy: -145.866 where: short stacking energy: -63.365 Base-Backbone interact. energy: -0.694 local terms energy: -68.983013 where: bonds (distance) C4'-P energy: -11.159 bonds (distance) P-C4' energy: -16.150 flat angles C4'-P-C4' energy: -17.281 flat angles P-C4'-P energy: -6.817 tors. eta vs tors. theta energy: -17.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -210.748565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.748565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.748565 (E_RNA) where: Base-Base interactions energy: -135.790 where: short stacking energy: -68.317 Base-Backbone interact. energy: -0.007 local terms energy: -74.950769 where: bonds (distance) C4'-P energy: -12.655 bonds (distance) P-C4' energy: -15.092 flat angles C4'-P-C4' energy: -17.093 flat angles P-C4'-P energy: -10.547 tors. eta vs tors. theta energy: -19.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -204.103794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.103794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.103794 (E_RNA) where: Base-Base interactions energy: -137.733 where: short stacking energy: -66.048 Base-Backbone interact. energy: -0.005 local terms energy: -66.365577 where: bonds (distance) C4'-P energy: -6.262 bonds (distance) P-C4' energy: -15.733 flat angles C4'-P-C4' energy: -18.755 flat angles P-C4'-P energy: -7.329 tors. eta vs tors. theta energy: -18.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -286.918439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.918439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.918439 (E_RNA) where: Base-Base interactions energy: -199.152 where: short stacking energy: -93.875 Base-Backbone interact. energy: 0.485 local terms energy: -88.251096 where: bonds (distance) C4'-P energy: -19.985 bonds (distance) P-C4' energy: -16.901 flat angles C4'-P-C4' energy: -18.157 flat angles P-C4'-P energy: -12.322 tors. eta vs tors. theta energy: -20.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -300.197575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.197575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.197575 (E_RNA) where: Base-Base interactions energy: -214.660 where: short stacking energy: -93.000 Base-Backbone interact. energy: -0.837 local terms energy: -84.700840 where: bonds (distance) C4'-P energy: -14.566 bonds (distance) P-C4' energy: -18.199 flat angles C4'-P-C4' energy: -18.904 flat angles P-C4'-P energy: -11.039 tors. eta vs tors. theta energy: -21.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -253.625832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.625832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.625832 (E_RNA) where: Base-Base interactions energy: -167.629 where: short stacking energy: -84.024 Base-Backbone interact. energy: -0.435 local terms energy: -85.562009 where: bonds (distance) C4'-P energy: -17.257 bonds (distance) P-C4' energy: -19.076 flat angles C4'-P-C4' energy: -18.306 flat angles P-C4'-P energy: -7.145 tors. eta vs tors. theta energy: -23.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -267.676606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.676606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.676606 (E_RNA) where: Base-Base interactions energy: -186.286 where: short stacking energy: -84.385 Base-Backbone interact. energy: -0.800 local terms energy: -80.590147 where: bonds (distance) C4'-P energy: -17.270 bonds (distance) P-C4' energy: -16.396 flat angles C4'-P-C4' energy: -16.200 flat angles P-C4'-P energy: -11.334 tors. eta vs tors. theta energy: -19.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -238.330619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.330619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.330619 (E_RNA) where: Base-Base interactions energy: -161.462 where: short stacking energy: -72.605 Base-Backbone interact. energy: -0.236 local terms energy: -76.632246 where: bonds (distance) C4'-P energy: -17.992 bonds (distance) P-C4' energy: -15.891 flat angles C4'-P-C4' energy: -18.453 flat angles P-C4'-P energy: -6.959 tors. eta vs tors. theta energy: -17.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -225.667387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.667387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.667387 (E_RNA) where: Base-Base interactions energy: -150.296 where: short stacking energy: -80.607 Base-Backbone interact. energy: -0.937 local terms energy: -74.433671 where: bonds (distance) C4'-P energy: -8.230 bonds (distance) P-C4' energy: -21.098 flat angles C4'-P-C4' energy: -17.556 flat angles P-C4'-P energy: -7.877 tors. eta vs tors. theta energy: -19.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -210.839917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.839917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.839917 (E_RNA) where: Base-Base interactions energy: -136.969 where: short stacking energy: -71.553 Base-Backbone interact. energy: -0.392 local terms energy: -73.479154 where: bonds (distance) C4'-P energy: -8.612 bonds (distance) P-C4' energy: -17.992 flat angles C4'-P-C4' energy: -19.078 flat angles P-C4'-P energy: -8.999 tors. eta vs tors. theta energy: -18.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -219.892631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.892631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.892631 (E_RNA) where: Base-Base interactions energy: -149.640 where: short stacking energy: -75.840 Base-Backbone interact. energy: -1.014 local terms energy: -69.238586 where: bonds (distance) C4'-P energy: -13.602 bonds (distance) P-C4' energy: -15.015 flat angles C4'-P-C4' energy: -18.471 flat angles P-C4'-P energy: -5.968 tors. eta vs tors. theta energy: -16.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -184.846834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.846834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.846834 (E_RNA) where: Base-Base interactions energy: -130.141 where: short stacking energy: -54.497 Base-Backbone interact. energy: -0.466 local terms energy: -54.239553 where: bonds (distance) C4'-P energy: -14.082 bonds (distance) P-C4' energy: -16.696 flat angles C4'-P-C4' energy: -13.647 flat angles P-C4'-P energy: -6.119 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: 10, replica: 9 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -206.599992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.599992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.599992 (E_RNA) where: Base-Base interactions energy: -134.808 where: short stacking energy: -59.331 Base-Backbone interact. energy: -0.404 local terms energy: -71.387916 where: bonds (distance) C4'-P energy: -17.182 bonds (distance) P-C4' energy: -16.099 flat angles C4'-P-C4' energy: -15.616 flat angles P-C4'-P energy: -10.430 tors. eta vs tors. theta energy: -12.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -287.886484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.886484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.886484 (E_RNA) where: Base-Base interactions energy: -206.036 where: short stacking energy: -91.322 Base-Backbone interact. energy: -1.016 local terms energy: -80.834595 where: bonds (distance) C4'-P energy: -17.267 bonds (distance) P-C4' energy: -15.465 flat angles C4'-P-C4' energy: -19.106 flat angles P-C4'-P energy: -6.314 tors. eta vs tors. theta energy: -22.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -262.445845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.445845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.445845 (E_RNA) where: Base-Base interactions energy: -181.459 where: short stacking energy: -94.569 Base-Backbone interact. energy: 2.510 local terms energy: -83.496494 where: bonds (distance) C4'-P energy: -16.802 bonds (distance) P-C4' energy: -16.647 flat angles C4'-P-C4' energy: -18.435 flat angles P-C4'-P energy: -10.744 tors. eta vs tors. theta energy: -20.870 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: 3 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -277.690363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.690363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.690363 (E_RNA) where: Base-Base interactions energy: -196.504 where: short stacking energy: -92.614 Base-Backbone interact. energy: -0.644 local terms energy: -80.542211 where: bonds (distance) C4'-P energy: -14.015 bonds (distance) P-C4' energy: -19.548 flat angles C4'-P-C4' energy: -20.148 flat angles P-C4'-P energy: -4.258 tors. eta vs tors. theta energy: -22.572 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: 4, replica: 1 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -269.781828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.781828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.781828 (E_RNA) where: Base-Base interactions energy: -196.302 where: short stacking energy: -82.572 Base-Backbone interact. energy: -0.452 local terms energy: -73.027731 where: bonds (distance) C4'-P energy: -13.752 bonds (distance) P-C4' energy: -17.558 flat angles C4'-P-C4' energy: -15.604 flat angles P-C4'-P energy: -7.637 tors. eta vs tors. theta energy: -18.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -228.719787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.719787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.719787 (E_RNA) where: Base-Base interactions energy: -148.660 where: short stacking energy: -70.387 Base-Backbone interact. energy: -0.636 local terms energy: -79.423823 where: bonds (distance) C4'-P energy: -14.684 bonds (distance) P-C4' energy: -17.937 flat angles C4'-P-C4' energy: -14.521 flat angles P-C4'-P energy: -12.308 tors. eta vs tors. theta energy: -19.973 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: 2 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -220.117647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.117647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.117647 (E_RNA) where: Base-Base interactions energy: -146.428 where: short stacking energy: -67.793 Base-Backbone interact. energy: -0.708 local terms energy: -72.981693 where: bonds (distance) C4'-P energy: -17.224 bonds (distance) P-C4' energy: -9.512 flat angles C4'-P-C4' energy: -16.316 flat angles P-C4'-P energy: -13.090 tors. eta vs tors. theta energy: -16.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -214.000988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.000988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.000988 (E_RNA) where: Base-Base interactions energy: -143.484 where: short stacking energy: -71.721 Base-Backbone interact. energy: 1.485 local terms energy: -72.001623 where: bonds (distance) C4'-P energy: -15.547 bonds (distance) P-C4' energy: -13.687 flat angles C4'-P-C4' energy: -17.114 flat angles P-C4'-P energy: -8.110 tors. eta vs tors. theta energy: -17.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -199.441855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.441855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.441855 (E_RNA) where: Base-Base interactions energy: -143.483 where: short stacking energy: -68.964 Base-Backbone interact. energy: -0.186 local terms energy: -55.772781 where: bonds (distance) C4'-P energy: -9.975 bonds (distance) P-C4' energy: -13.493 flat angles C4'-P-C4' energy: -16.356 flat angles P-C4'-P energy: -6.086 tors. eta vs tors. theta energy: -9.863 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: 387 Temperature: 1.300000 Total energy: -213.425874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.425874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.425874 (E_RNA) where: Base-Base interactions energy: -149.869 where: short stacking energy: -75.615 Base-Backbone interact. energy: -0.265 local terms energy: -63.292560 where: bonds (distance) C4'-P energy: -12.030 bonds (distance) P-C4' energy: -9.043 flat angles C4'-P-C4' energy: -15.177 flat angles P-C4'-P energy: -10.601 tors. eta vs tors. theta energy: -16.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -192.839204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.839204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.839204 (E_RNA) where: Base-Base interactions energy: -137.188 where: short stacking energy: -62.115 Base-Backbone interact. energy: 1.722 local terms energy: -57.372873 where: bonds (distance) C4'-P energy: -16.189 bonds (distance) P-C4' energy: -12.576 flat angles C4'-P-C4' energy: -15.909 flat angles P-C4'-P energy: -1.179 tors. eta vs tors. theta energy: -11.520 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: 10 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -294.836354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.836354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.836354 (E_RNA) where: Base-Base interactions energy: -209.268 where: short stacking energy: -98.420 Base-Backbone interact. energy: -0.327 local terms energy: -85.241144 where: bonds (distance) C4'-P energy: -15.506 bonds (distance) P-C4' energy: -17.317 flat angles C4'-P-C4' energy: -17.882 flat angles P-C4'-P energy: -11.012 tors. eta vs tors. theta energy: -23.524 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: 2, replica: 4 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -260.124710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.124710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.124710 (E_RNA) where: Base-Base interactions energy: -174.956 where: short stacking energy: -90.345 Base-Backbone interact. energy: -0.001 local terms energy: -85.168089 where: bonds (distance) C4'-P energy: -18.569 bonds (distance) P-C4' energy: -15.023 flat angles C4'-P-C4' energy: -16.108 flat angles P-C4'-P energy: -12.316 tors. eta vs tors. theta energy: -23.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -262.880346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.880346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.880346 (E_RNA) where: Base-Base interactions energy: -186.333 where: short stacking energy: -81.997 Base-Backbone interact. energy: -0.869 local terms energy: -75.678082 where: bonds (distance) C4'-P energy: -10.717 bonds (distance) P-C4' energy: -19.728 flat angles C4'-P-C4' energy: -19.154 flat angles P-C4'-P energy: -6.551 tors. eta vs tors. theta energy: -19.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -279.971869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.971869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.971869 (E_RNA) where: Base-Base interactions energy: -204.607 where: short stacking energy: -90.872 Base-Backbone interact. energy: 0.010 local terms energy: -75.374917 where: bonds (distance) C4'-P energy: -16.140 bonds (distance) P-C4' energy: -11.744 flat angles C4'-P-C4' energy: -16.810 flat angles P-C4'-P energy: -9.394 tors. eta vs tors. theta energy: -21.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -220.196336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.196336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.196336 (E_RNA) where: Base-Base interactions energy: -145.329 where: short stacking energy: -68.319 Base-Backbone interact. energy: -0.919 local terms energy: -73.948345 where: bonds (distance) C4'-P energy: -16.077 bonds (distance) P-C4' energy: -16.871 flat angles C4'-P-C4' energy: -16.073 flat angles P-C4'-P energy: -12.055 tors. eta vs tors. theta energy: -12.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -243.617575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.617575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.617575 (E_RNA) where: Base-Base interactions energy: -168.324 where: short stacking energy: -86.995 Base-Backbone interact. energy: -0.275 local terms energy: -75.018973 where: bonds (distance) C4'-P energy: -12.932 bonds (distance) P-C4' energy: -14.203 flat angles C4'-P-C4' energy: -19.040 flat angles P-C4'-P energy: -9.495 tors. eta vs tors. theta energy: -19.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -213.740181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.740181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.740181 (E_RNA) where: Base-Base interactions energy: -150.240 where: short stacking energy: -76.859 Base-Backbone interact. energy: -0.378 local terms energy: -63.122979 where: bonds (distance) C4'-P energy: -13.127 bonds (distance) P-C4' energy: -15.344 flat angles C4'-P-C4' energy: -16.934 flat angles P-C4'-P energy: -3.148 tors. eta vs tors. theta energy: -14.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -235.636898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.636898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.636898 (E_RNA) where: Base-Base interactions energy: -165.748 where: short stacking energy: -92.610 Base-Backbone interact. energy: -0.028 local terms energy: -69.860850 where: bonds (distance) C4'-P energy: -14.049 bonds (distance) P-C4' energy: -15.025 flat angles C4'-P-C4' energy: -13.437 flat angles P-C4'-P energy: -3.538 tors. eta vs tors. theta energy: -23.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -208.955534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.955534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.955534 (E_RNA) where: Base-Base interactions energy: -138.371 where: short stacking energy: -69.129 Base-Backbone interact. energy: -0.109 local terms energy: -70.475588 where: bonds (distance) C4'-P energy: -11.744 bonds (distance) P-C4' energy: -16.716 flat angles C4'-P-C4' energy: -11.760 flat angles P-C4'-P energy: -12.659 tors. eta vs tors. theta energy: -17.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -191.188126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.188126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.188126 (E_RNA) where: Base-Base interactions energy: -131.755 where: short stacking energy: -56.796 Base-Backbone interact. energy: 1.637 local terms energy: -61.069175 where: bonds (distance) C4'-P energy: -11.417 bonds (distance) P-C4' energy: -14.844 flat angles C4'-P-C4' energy: -14.177 flat angles P-C4'-P energy: -8.251 tors. eta vs tors. theta energy: -12.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -286.257554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.257554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.257554 (E_RNA) where: Base-Base interactions energy: -206.313 where: short stacking energy: -90.499 Base-Backbone interact. energy: -0.272 local terms energy: -79.672702 where: bonds (distance) C4'-P energy: -13.953 bonds (distance) P-C4' energy: -18.547 flat angles C4'-P-C4' energy: -18.726 flat angles P-C4'-P energy: -7.694 tors. eta vs tors. theta energy: -20.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -293.366860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.366860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.366860 (E_RNA) where: Base-Base interactions energy: -204.105 where: short stacking energy: -93.273 Base-Backbone interact. energy: -0.635 local terms energy: -88.627456 where: bonds (distance) C4'-P energy: -20.289 bonds (distance) P-C4' energy: -10.856 flat angles C4'-P-C4' energy: -21.347 flat angles P-C4'-P energy: -12.312 tors. eta vs tors. theta energy: -23.824 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: 4 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -258.881355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.881355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.881355 (E_RNA) where: Base-Base interactions energy: -180.432 where: short stacking energy: -93.474 Base-Backbone interact. energy: 0.338 local terms energy: -78.787135 where: bonds (distance) C4'-P energy: -18.002 bonds (distance) P-C4' energy: -17.498 flat angles C4'-P-C4' energy: -16.014 flat angles P-C4'-P energy: -6.174 tors. eta vs tors. theta energy: -21.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -281.878823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.878823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.878823 (E_RNA) where: Base-Base interactions energy: -204.841 where: short stacking energy: -81.453 Base-Backbone interact. energy: 0.444 local terms energy: -77.481559 where: bonds (distance) C4'-P energy: -17.175 bonds (distance) P-C4' energy: -17.269 flat angles C4'-P-C4' energy: -17.372 flat angles P-C4'-P energy: -8.738 tors. eta vs tors. theta energy: -16.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -233.803295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.803295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.803295 (E_RNA) where: Base-Base interactions energy: -154.280 where: short stacking energy: -80.784 Base-Backbone interact. energy: -0.169 local terms energy: -79.354412 where: bonds (distance) C4'-P energy: -10.246 bonds (distance) P-C4' energy: -18.819 flat angles C4'-P-C4' energy: -18.160 flat angles P-C4'-P energy: -13.652 tors. eta vs tors. theta energy: -18.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -221.595523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.595523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.595523 (E_RNA) where: Base-Base interactions energy: -146.475 where: short stacking energy: -69.764 Base-Backbone interact. energy: -0.681 local terms energy: -74.439857 where: bonds (distance) C4'-P energy: -15.325 bonds (distance) P-C4' energy: -15.983 flat angles C4'-P-C4' energy: -17.386 flat angles P-C4'-P energy: -11.698 tors. eta vs tors. theta energy: -14.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -207.916639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.916639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.916639 (E_RNA) where: Base-Base interactions energy: -139.106 where: short stacking energy: -69.014 Base-Backbone interact. energy: -0.295 local terms energy: -68.515640 where: bonds (distance) C4'-P energy: -17.266 bonds (distance) P-C4' energy: -14.439 flat angles C4'-P-C4' energy: -15.584 flat angles P-C4'-P energy: -10.911 tors. eta vs tors. theta energy: -10.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -215.732942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.732942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.732942 (E_RNA) where: Base-Base interactions energy: -146.540 where: short stacking energy: -67.295 Base-Backbone interact. energy: -0.012 local terms energy: -69.180823 where: bonds (distance) C4'-P energy: -15.419 bonds (distance) P-C4' energy: -14.859 flat angles C4'-P-C4' energy: -16.319 flat angles P-C4'-P energy: -7.892 tors. eta vs tors. theta energy: -14.692 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: 8 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -207.486821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.486821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.486821 (E_RNA) where: Base-Base interactions energy: -136.713 where: short stacking energy: -64.744 Base-Backbone interact. energy: -0.457 local terms energy: -70.316756 where: bonds (distance) C4'-P energy: -15.622 bonds (distance) P-C4' energy: -15.461 flat angles C4'-P-C4' energy: -15.707 flat angles P-C4'-P energy: -8.071 tors. eta vs tors. theta energy: -15.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -201.737872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.737872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.737872 (E_RNA) where: Base-Base interactions energy: -135.136 where: short stacking energy: -58.917 Base-Backbone interact. energy: -0.590 local terms energy: -66.011304 where: bonds (distance) C4'-P energy: -17.588 bonds (distance) P-C4' energy: -15.129 flat angles C4'-P-C4' energy: -13.798 flat angles P-C4'-P energy: -11.273 tors. eta vs tors. theta energy: -8.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -282.611674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.611674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.611674 (E_RNA) where: Base-Base interactions energy: -197.438 where: short stacking energy: -89.029 Base-Backbone interact. energy: -0.253 local terms energy: -84.920361 where: bonds (distance) C4'-P energy: -15.817 bonds (distance) P-C4' energy: -16.850 flat angles C4'-P-C4' energy: -19.516 flat angles P-C4'-P energy: -9.623 tors. eta vs tors. theta energy: -23.114 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: 2, replica: 10 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -289.606899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.606899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.606899 (E_RNA) where: Base-Base interactions energy: -204.880 where: short stacking energy: -94.660 Base-Backbone interact. energy: -0.846 local terms energy: -83.881121 where: bonds (distance) C4'-P energy: -18.039 bonds (distance) P-C4' energy: -16.591 flat angles C4'-P-C4' energy: -18.352 flat angles P-C4'-P energy: -8.194 tors. eta vs tors. theta energy: -22.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -282.035188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.035188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.035188 (E_RNA) where: Base-Base interactions energy: -195.707 where: short stacking energy: -84.999 Base-Backbone interact. energy: -1.506 local terms energy: -84.822782 where: bonds (distance) C4'-P energy: -15.998 bonds (distance) P-C4' energy: -19.066 flat angles C4'-P-C4' energy: -17.766 flat angles P-C4'-P energy: -11.157 tors. eta vs tors. theta energy: -20.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -244.645805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.645805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.645805 (E_RNA) where: Base-Base interactions energy: -162.760 where: short stacking energy: -76.539 Base-Backbone interact. energy: -0.790 local terms energy: -81.096139 where: bonds (distance) C4'-P energy: -15.234 bonds (distance) P-C4' energy: -15.414 flat angles C4'-P-C4' energy: -18.849 flat angles P-C4'-P energy: -11.884 tors. eta vs tors. theta energy: -19.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -230.736917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.736917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.736917 (E_RNA) where: Base-Base interactions energy: -157.445 where: short stacking energy: -65.732 Base-Backbone interact. energy: -0.468 local terms energy: -72.823758 where: bonds (distance) C4'-P energy: -14.777 bonds (distance) P-C4' energy: -15.332 flat angles C4'-P-C4' energy: -16.130 flat angles P-C4'-P energy: -10.439 tors. eta vs tors. theta energy: -16.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -232.536404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.536404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.536404 (E_RNA) where: Base-Base interactions energy: -160.195 where: short stacking energy: -78.168 Base-Backbone interact. energy: -0.100 local terms energy: -72.241485 where: bonds (distance) C4'-P energy: -14.158 bonds (distance) P-C4' energy: -17.782 flat angles C4'-P-C4' energy: -15.640 flat angles P-C4'-P energy: -5.560 tors. eta vs tors. theta energy: -19.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -218.671237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.671237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.671237 (E_RNA) where: Base-Base interactions energy: -144.750 where: short stacking energy: -70.279 Base-Backbone interact. energy: -1.689 local terms energy: -72.232084 where: bonds (distance) C4'-P energy: -14.989 bonds (distance) P-C4' energy: -18.697 flat angles C4'-P-C4' energy: -15.861 flat angles P-C4'-P energy: -8.069 tors. eta vs tors. theta energy: -14.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -208.940302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.940302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.940302 (E_RNA) where: Base-Base interactions energy: -141.220 where: short stacking energy: -59.427 Base-Backbone interact. energy: -1.016 local terms energy: -66.704615 where: bonds (distance) C4'-P energy: -14.276 bonds (distance) P-C4' energy: -16.613 flat angles C4'-P-C4' energy: -18.516 flat angles P-C4'-P energy: -7.760 tors. eta vs tors. theta energy: -9.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -231.764658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.764658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.764658 (E_RNA) where: Base-Base interactions energy: -156.752 where: short stacking energy: -69.227 Base-Backbone interact. energy: -0.282 local terms energy: -74.730301 where: bonds (distance) C4'-P energy: -16.093 bonds (distance) P-C4' energy: -16.991 flat angles C4'-P-C4' energy: -17.127 flat angles P-C4'-P energy: -8.553 tors. eta vs tors. theta energy: -15.967 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: 9 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -197.740752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.740752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.740752 (E_RNA) where: Base-Base interactions energy: -133.333 where: short stacking energy: -60.870 Base-Backbone interact. energy: -0.705 local terms energy: -63.702768 where: bonds (distance) C4'-P energy: -11.295 bonds (distance) P-C4' energy: -17.697 flat angles C4'-P-C4' energy: -16.785 flat angles P-C4'-P energy: -4.094 tors. eta vs tors. theta energy: -13.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -298.651549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.651549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.651549 (E_RNA) where: Base-Base interactions energy: -204.518 where: short stacking energy: -92.021 Base-Backbone interact. energy: -0.736 local terms energy: -93.397644 where: bonds (distance) C4'-P energy: -19.813 bonds (distance) P-C4' energy: -20.172 flat angles C4'-P-C4' energy: -18.945 flat angles P-C4'-P energy: -12.327 tors. eta vs tors. theta energy: -22.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -291.778549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.778549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.778549 (E_RNA) where: Base-Base interactions energy: -212.603 where: short stacking energy: -86.664 Base-Backbone interact. energy: -1.989 local terms energy: -77.186102 where: bonds (distance) C4'-P energy: -16.998 bonds (distance) P-C4' energy: -14.661 flat angles C4'-P-C4' energy: -15.971 flat angles P-C4'-P energy: -9.633 tors. eta vs tors. theta energy: -19.923 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: 10 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -275.237784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.237784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.237784 (E_RNA) where: Base-Base interactions energy: -190.103 where: short stacking energy: -86.431 Base-Backbone interact. energy: -1.524 local terms energy: -83.610781 where: bonds (distance) C4'-P energy: -18.358 bonds (distance) P-C4' energy: -13.134 flat angles C4'-P-C4' energy: -18.262 flat angles P-C4'-P energy: -12.199 tors. eta vs tors. theta energy: -21.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -247.222622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.222622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.222622 (E_RNA) where: Base-Base interactions energy: -157.681 where: short stacking energy: -82.959 Base-Backbone interact. energy: -0.156 local terms energy: -89.385161 where: bonds (distance) C4'-P energy: -16.425 bonds (distance) P-C4' energy: -18.136 flat angles C4'-P-C4' energy: -20.191 flat angles P-C4'-P energy: -12.176 tors. eta vs tors. theta energy: -22.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -223.160259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.160259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.160259 (E_RNA) where: Base-Base interactions energy: -149.693 where: short stacking energy: -69.757 Base-Backbone interact. energy: 0.197 local terms energy: -73.663773 where: bonds (distance) C4'-P energy: -14.736 bonds (distance) P-C4' energy: -15.092 flat angles C4'-P-C4' energy: -19.210 flat angles P-C4'-P energy: -10.411 tors. eta vs tors. theta energy: -14.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -208.550619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.550619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.550619 (E_RNA) where: Base-Base interactions energy: -133.223 where: short stacking energy: -61.128 Base-Backbone interact. energy: 1.104 local terms energy: -76.432271 where: bonds (distance) C4'-P energy: -15.476 bonds (distance) P-C4' energy: -14.807 flat angles C4'-P-C4' energy: -17.378 flat angles P-C4'-P energy: -10.046 tors. eta vs tors. theta energy: -18.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -219.113666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.113666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.113666 (E_RNA) where: Base-Base interactions energy: -153.735 where: short stacking energy: -75.631 Base-Backbone interact. energy: 0.141 local terms energy: -65.519397 where: bonds (distance) C4'-P energy: -17.557 bonds (distance) P-C4' energy: -10.002 flat angles C4'-P-C4' energy: -14.774 flat angles P-C4'-P energy: -7.152 tors. eta vs tors. theta energy: -16.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -244.883507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.883507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.883507 (E_RNA) where: Base-Base interactions energy: -169.364 where: short stacking energy: -74.821 Base-Backbone interact. energy: -0.026 local terms energy: -75.493071 where: bonds (distance) C4'-P energy: -16.837 bonds (distance) P-C4' energy: -17.816 flat angles C4'-P-C4' energy: -13.629 flat angles P-C4'-P energy: -11.285 tors. eta vs tors. theta energy: -15.927 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: 391 Temperature: 1.300000 Total energy: -199.706845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.706845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.706845 (E_RNA) where: Base-Base interactions energy: -129.193 where: short stacking energy: -62.303 Base-Backbone interact. energy: -0.078 local terms energy: -70.436790 where: bonds (distance) C4'-P energy: -13.661 bonds (distance) P-C4' energy: -19.414 flat angles C4'-P-C4' energy: -16.970 flat angles P-C4'-P energy: -8.248 tors. eta vs tors. theta energy: -12.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -221.682171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.682171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.682171 (E_RNA) where: Base-Base interactions energy: -146.848 where: short stacking energy: -66.515 Base-Backbone interact. energy: -0.224 local terms energy: -74.610744 where: bonds (distance) C4'-P energy: -14.075 bonds (distance) P-C4' energy: -14.565 flat angles C4'-P-C4' energy: -18.167 flat angles P-C4'-P energy: -8.283 tors. eta vs tors. theta energy: -19.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -287.693291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.693291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.693291 (E_RNA) where: Base-Base interactions energy: -199.989 where: short stacking energy: -81.366 Base-Backbone interact. energy: -1.476 local terms energy: -86.227942 where: bonds (distance) C4'-P energy: -15.358 bonds (distance) P-C4' energy: -20.164 flat angles C4'-P-C4' energy: -19.112 flat angles P-C4'-P energy: -12.201 tors. eta vs tors. theta energy: -19.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -284.134657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.134657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.134657 (E_RNA) where: Base-Base interactions energy: -200.777 where: short stacking energy: -94.778 Base-Backbone interact. energy: -0.396 local terms energy: -82.960904 where: bonds (distance) C4'-P energy: -17.647 bonds (distance) P-C4' energy: -16.638 flat angles C4'-P-C4' energy: -17.287 flat angles P-C4'-P energy: -8.611 tors. eta vs tors. theta energy: -22.777 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: 10 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -264.285671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.285671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.285671 (E_RNA) where: Base-Base interactions energy: -182.073 where: short stacking energy: -84.217 Base-Backbone interact. energy: -0.479 local terms energy: -81.733417 where: bonds (distance) C4'-P energy: -14.200 bonds (distance) P-C4' energy: -17.924 flat angles C4'-P-C4' energy: -18.506 flat angles P-C4'-P energy: -11.169 tors. eta vs tors. theta energy: -19.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -236.430145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.430145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.430145 (E_RNA) where: Base-Base interactions energy: -167.053 where: short stacking energy: -79.986 Base-Backbone interact. energy: -0.240 local terms energy: -69.136499 where: bonds (distance) C4'-P energy: -12.538 bonds (distance) P-C4' energy: -15.697 flat angles C4'-P-C4' energy: -17.640 flat angles P-C4'-P energy: -8.015 tors. eta vs tors. theta energy: -15.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -217.482847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.482847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.482847 (E_RNA) where: Base-Base interactions energy: -141.768 where: short stacking energy: -75.172 Base-Backbone interact. energy: -0.001 local terms energy: -75.713910 where: bonds (distance) C4'-P energy: -11.586 bonds (distance) P-C4' energy: -18.060 flat angles C4'-P-C4' energy: -14.065 flat angles P-C4'-P energy: -13.433 tors. eta vs tors. theta energy: -18.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -241.183173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.183173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.183173 (E_RNA) where: Base-Base interactions energy: -160.605 where: short stacking energy: -81.245 Base-Backbone interact. energy: -0.066 local terms energy: -80.512942 where: bonds (distance) C4'-P energy: -15.883 bonds (distance) P-C4' energy: -14.906 flat angles C4'-P-C4' energy: -19.992 flat angles P-C4'-P energy: -10.048 tors. eta vs tors. theta energy: -19.684 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: 7, replica: 8 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -229.315374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.315374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.315374 (E_RNA) where: Base-Base interactions energy: -162.106 where: short stacking energy: -68.762 Base-Backbone interact. energy: -1.803 local terms energy: -65.406994 where: bonds (distance) C4'-P energy: -8.687 bonds (distance) P-C4' energy: -14.121 flat angles C4'-P-C4' energy: -14.730 flat angles P-C4'-P energy: -14.582 tors. eta vs tors. theta energy: -13.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -213.634784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.634784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.634784 (E_RNA) where: Base-Base interactions energy: -141.738 where: short stacking energy: -69.052 Base-Backbone interact. energy: -0.009 local terms energy: -71.887906 where: bonds (distance) C4'-P energy: -15.453 bonds (distance) P-C4' energy: -12.778 flat angles C4'-P-C4' energy: -18.606 flat angles P-C4'-P energy: -9.035 tors. eta vs tors. theta energy: -16.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -219.874507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.874507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.874507 (E_RNA) where: Base-Base interactions energy: -148.819 where: short stacking energy: -67.582 Base-Backbone interact. energy: -0.089 local terms energy: -70.967073 where: bonds (distance) C4'-P energy: -12.712 bonds (distance) P-C4' energy: -13.156 flat angles C4'-P-C4' energy: -18.045 flat angles P-C4'-P energy: -9.667 tors. eta vs tors. theta energy: -17.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -201.709787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.709787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.709787 (E_RNA) where: Base-Base interactions energy: -134.824 where: short stacking energy: -62.671 Base-Backbone interact. energy: -0.067 local terms energy: -66.818119 where: bonds (distance) C4'-P energy: -17.294 bonds (distance) P-C4' energy: -16.051 flat angles C4'-P-C4' energy: -11.485 flat angles P-C4'-P energy: -10.088 tors. eta vs tors. theta energy: -11.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -295.871805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.871805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.871805 (E_RNA) where: Base-Base interactions energy: -206.438 where: short stacking energy: -93.950 Base-Backbone interact. energy: -0.538 local terms energy: -88.896287 where: bonds (distance) C4'-P energy: -18.530 bonds (distance) P-C4' energy: -18.725 flat angles C4'-P-C4' energy: -19.227 flat angles P-C4'-P energy: -9.006 tors. eta vs tors. theta energy: -23.409 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: 1 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -289.984563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.984563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.984563 (E_RNA) where: Base-Base interactions energy: -213.655 where: short stacking energy: -90.731 Base-Backbone interact. energy: -0.373 local terms energy: -75.955877 where: bonds (distance) C4'-P energy: -16.512 bonds (distance) P-C4' energy: -12.047 flat angles C4'-P-C4' energy: -18.664 flat angles P-C4'-P energy: -6.348 tors. eta vs tors. theta energy: -22.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -261.991021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.991021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.991021 (E_RNA) where: Base-Base interactions energy: -181.051 where: short stacking energy: -77.318 Base-Backbone interact. energy: -0.074 local terms energy: -80.865669 where: bonds (distance) C4'-P energy: -16.997 bonds (distance) P-C4' energy: -17.631 flat angles C4'-P-C4' energy: -16.010 flat angles P-C4'-P energy: -8.786 tors. eta vs tors. theta energy: -21.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -246.541891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.541891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.541891 (E_RNA) where: Base-Base interactions energy: -165.210 where: short stacking energy: -75.765 Base-Backbone interact. energy: -0.607 local terms energy: -80.725034 where: bonds (distance) C4'-P energy: -15.651 bonds (distance) P-C4' energy: -18.225 flat angles C4'-P-C4' energy: -18.045 flat angles P-C4'-P energy: -10.392 tors. eta vs tors. theta energy: -18.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -233.165849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.165849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.165849 (E_RNA) where: Base-Base interactions energy: -157.087 where: short stacking energy: -76.861 Base-Backbone interact. energy: -0.167 local terms energy: -75.912537 where: bonds (distance) C4'-P energy: -14.960 bonds (distance) P-C4' energy: -18.546 flat angles C4'-P-C4' energy: -16.570 flat angles P-C4'-P energy: -8.362 tors. eta vs tors. theta energy: -17.475 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: 8 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -251.268177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.268177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.268177 (E_RNA) where: Base-Base interactions energy: -178.255 where: short stacking energy: -66.261 Base-Backbone interact. energy: -0.052 local terms energy: -72.961313 where: bonds (distance) C4'-P energy: -14.757 bonds (distance) P-C4' energy: -20.244 flat angles C4'-P-C4' energy: -16.542 flat angles P-C4'-P energy: -7.273 tors. eta vs tors. theta energy: -14.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -209.950134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.950134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.950134 (E_RNA) where: Base-Base interactions energy: -142.903 where: short stacking energy: -65.349 Base-Backbone interact. energy: -0.357 local terms energy: -66.690222 where: bonds (distance) C4'-P energy: -10.447 bonds (distance) P-C4' energy: -17.111 flat angles C4'-P-C4' energy: -15.993 flat angles P-C4'-P energy: -6.920 tors. eta vs tors. theta energy: -16.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -229.464914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.464914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.464914 (E_RNA) where: Base-Base interactions energy: -157.008 where: short stacking energy: -75.148 Base-Backbone interact. energy: -0.484 local terms energy: -71.973314 where: bonds (distance) C4'-P energy: -12.600 bonds (distance) P-C4' energy: -17.146 flat angles C4'-P-C4' energy: -11.813 flat angles P-C4'-P energy: -10.923 tors. eta vs tors. theta energy: -19.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -204.147302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.147302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.147302 (E_RNA) where: Base-Base interactions energy: -139.882 where: short stacking energy: -67.301 Base-Backbone interact. energy: -0.681 local terms energy: -63.584490 where: bonds (distance) C4'-P energy: -19.129 bonds (distance) P-C4' energy: -12.369 flat angles C4'-P-C4' energy: -9.265 flat angles P-C4'-P energy: -7.448 tors. eta vs tors. theta energy: -15.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -200.253450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.253450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.253450 (E_RNA) where: Base-Base interactions energy: -137.158 where: short stacking energy: -65.401 Base-Backbone interact. energy: -0.429 local terms energy: -62.666019 where: bonds (distance) C4'-P energy: -14.027 bonds (distance) P-C4' energy: -13.409 flat angles C4'-P-C4' energy: -14.448 flat angles P-C4'-P energy: -5.615 tors. eta vs tors. theta energy: -15.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -291.102925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.102925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.102925 (E_RNA) where: Base-Base interactions energy: -213.637 where: short stacking energy: -78.658 Base-Backbone interact. energy: -0.104 local terms energy: -77.361834 where: bonds (distance) C4'-P energy: -16.287 bonds (distance) P-C4' energy: -19.149 flat angles C4'-P-C4' energy: -13.056 flat angles P-C4'-P energy: -10.681 tors. eta vs tors. theta energy: -18.188 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: 2, replica: 1 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -293.251055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.251055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.251055 (E_RNA) where: Base-Base interactions energy: -215.448 where: short stacking energy: -94.986 Base-Backbone interact. energy: -0.191 local terms energy: -77.611974 where: bonds (distance) C4'-P energy: -15.359 bonds (distance) P-C4' energy: -16.400 flat angles C4'-P-C4' energy: -14.480 flat angles P-C4'-P energy: -8.295 tors. eta vs tors. theta energy: -23.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -268.784578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.784578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.784578 (E_RNA) where: Base-Base interactions energy: -185.218 where: short stacking energy: -87.124 Base-Backbone interact. energy: -0.385 local terms energy: -83.182525 where: bonds (distance) C4'-P energy: -17.035 bonds (distance) P-C4' energy: -16.506 flat angles C4'-P-C4' energy: -15.032 flat angles P-C4'-P energy: -12.609 tors. eta vs tors. theta energy: -22.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -258.176972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.176972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.176972 (E_RNA) where: Base-Base interactions energy: -181.345 where: short stacking energy: -86.020 Base-Backbone interact. energy: -0.256 local terms energy: -76.575598 where: bonds (distance) C4'-P energy: -15.589 bonds (distance) P-C4' energy: -12.528 flat angles C4'-P-C4' energy: -16.513 flat angles P-C4'-P energy: -11.827 tors. eta vs tors. theta energy: -20.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -258.841736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.841736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.841736 (E_RNA) where: Base-Base interactions energy: -176.095 where: short stacking energy: -76.995 Base-Backbone interact. energy: -1.391 local terms energy: -81.355394 where: bonds (distance) C4'-P energy: -14.748 bonds (distance) P-C4' energy: -18.227 flat angles C4'-P-C4' energy: -15.750 flat angles P-C4'-P energy: -11.081 tors. eta vs tors. theta energy: -21.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -226.973746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.973746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.973746 (E_RNA) where: Base-Base interactions energy: -151.088 where: short stacking energy: -72.168 Base-Backbone interact. energy: -0.185 local terms energy: -75.701416 where: bonds (distance) C4'-P energy: -16.071 bonds (distance) P-C4' energy: -20.054 flat angles C4'-P-C4' energy: -16.390 flat angles P-C4'-P energy: -5.142 tors. eta vs tors. theta energy: -18.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -199.032430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.032430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.032430 (E_RNA) where: Base-Base interactions energy: -132.236 where: short stacking energy: -62.270 Base-Backbone interact. energy: -0.038 local terms energy: -66.757579 where: bonds (distance) C4'-P energy: -16.475 bonds (distance) P-C4' energy: -18.991 flat angles C4'-P-C4' energy: -17.064 flat angles P-C4'-P energy: -3.312 tors. eta vs tors. theta energy: -10.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -223.413060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.413060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.413060 (E_RNA) where: Base-Base interactions energy: -149.179 where: short stacking energy: -71.980 Base-Backbone interact. energy: -0.218 local terms energy: -74.016735 where: bonds (distance) C4'-P energy: -11.217 bonds (distance) P-C4' energy: -15.030 flat angles C4'-P-C4' energy: -14.521 flat angles P-C4'-P energy: -10.096 tors. eta vs tors. theta energy: -23.153 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: 6 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -194.506943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.506943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.506943 (E_RNA) where: Base-Base interactions energy: -137.385 where: short stacking energy: -60.879 Base-Backbone interact. energy: -0.738 local terms energy: -56.384822 where: bonds (distance) C4'-P energy: -10.014 bonds (distance) P-C4' energy: -10.676 flat angles C4'-P-C4' energy: -16.368 flat angles P-C4'-P energy: -9.587 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: 10, replica: 2 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -199.477925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.477925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.477925 (E_RNA) where: Base-Base interactions energy: -137.681 where: short stacking energy: -64.877 Base-Backbone interact. energy: -0.043 local terms energy: -61.754050 where: bonds (distance) C4'-P energy: -8.746 bonds (distance) P-C4' energy: -13.868 flat angles C4'-P-C4' energy: -14.166 flat angles P-C4'-P energy: -6.925 tors. eta vs tors. theta energy: -18.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -282.755509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.755509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.755509 (E_RNA) where: Base-Base interactions energy: -203.960 where: short stacking energy: -86.403 Base-Backbone interact. energy: -0.786 local terms energy: -78.008933 where: bonds (distance) C4'-P energy: -19.398 bonds (distance) P-C4' energy: -14.003 flat angles C4'-P-C4' energy: -19.462 flat angles P-C4'-P energy: -5.994 tors. eta vs tors. theta energy: -19.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -259.159032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.159032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.159032 (E_RNA) where: Base-Base interactions energy: -184.533 where: short stacking energy: -84.457 Base-Backbone interact. energy: -0.960 local terms energy: -73.665728 where: bonds (distance) C4'-P energy: -9.778 bonds (distance) P-C4' energy: -19.282 flat angles C4'-P-C4' energy: -16.791 flat angles P-C4'-P energy: -9.801 tors. eta vs tors. theta energy: -18.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -282.906540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.906540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.906540 (E_RNA) where: Base-Base interactions energy: -194.445 where: short stacking energy: -80.033 Base-Backbone interact. energy: -1.370 local terms energy: -87.091891 where: bonds (distance) C4'-P energy: -17.569 bonds (distance) P-C4' energy: -17.226 flat angles C4'-P-C4' energy: -19.181 flat angles P-C4'-P energy: -10.312 tors. eta vs tors. theta energy: -22.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -273.294624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.294624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.294624 (E_RNA) where: Base-Base interactions energy: -193.096 where: short stacking energy: -87.148 Base-Backbone interact. energy: -1.156 local terms energy: -79.042934 where: bonds (distance) C4'-P energy: -16.616 bonds (distance) P-C4' energy: -13.272 flat angles C4'-P-C4' energy: -18.004 flat angles P-C4'-P energy: -10.181 tors. eta vs tors. theta energy: -20.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -242.732318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.732318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.732318 (E_RNA) where: Base-Base interactions energy: -173.389 where: short stacking energy: -73.144 Base-Backbone interact. energy: -0.788 local terms energy: -68.555418 where: bonds (distance) C4'-P energy: -14.394 bonds (distance) P-C4' energy: -12.706 flat angles C4'-P-C4' energy: -14.157 flat angles P-C4'-P energy: -9.202 tors. eta vs tors. theta energy: -18.096 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: 9 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -226.533982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.533982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.533982 (E_RNA) where: Base-Base interactions energy: -154.069 where: short stacking energy: -73.521 Base-Backbone interact. energy: 0.781 local terms energy: -73.245784 where: bonds (distance) C4'-P energy: -14.542 bonds (distance) P-C4' energy: -15.889 flat angles C4'-P-C4' energy: -14.645 flat angles P-C4'-P energy: -12.229 tors. eta vs tors. theta energy: -15.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -221.582496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.582496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.582496 (E_RNA) where: Base-Base interactions energy: -152.424 where: short stacking energy: -73.104 Base-Backbone interact. energy: 0.192 local terms energy: -69.350149 where: bonds (distance) C4'-P energy: -10.328 bonds (distance) P-C4' energy: -15.225 flat angles C4'-P-C4' energy: -17.164 flat angles P-C4'-P energy: -9.960 tors. eta vs tors. theta energy: -16.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -201.907292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.907292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.907292 (E_RNA) where: Base-Base interactions energy: -133.917 where: short stacking energy: -64.862 Base-Backbone interact. energy: -0.055 local terms energy: -67.935224 where: bonds (distance) C4'-P energy: -11.875 bonds (distance) P-C4' energy: -16.217 flat angles C4'-P-C4' energy: -17.656 flat angles P-C4'-P energy: -9.647 tors. eta vs tors. theta energy: -12.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -210.461366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.461366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.461366 (E_RNA) where: Base-Base interactions energy: -138.160 where: short stacking energy: -62.131 Base-Backbone interact. energy: -1.634 local terms energy: -70.666985 where: bonds (distance) C4'-P energy: -11.160 bonds (distance) P-C4' energy: -18.657 flat angles C4'-P-C4' energy: -15.298 flat angles P-C4'-P energy: -10.583 tors. eta vs tors. theta energy: -14.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -196.564454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.564454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.564454 (E_RNA) where: Base-Base interactions energy: -137.666 where: short stacking energy: -54.157 Base-Backbone interact. energy: -0.286 local terms energy: -58.612040 where: bonds (distance) C4'-P energy: -17.569 bonds (distance) P-C4' energy: -10.603 flat angles C4'-P-C4' energy: -12.712 flat angles P-C4'-P energy: -8.137 tors. eta vs tors. theta energy: -9.592 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: 3 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -289.649028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.649028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.649028 (E_RNA) where: Base-Base interactions energy: -202.371 where: short stacking energy: -87.675 Base-Backbone interact. energy: -0.309 local terms energy: -86.968463 where: bonds (distance) C4'-P energy: -14.770 bonds (distance) P-C4' energy: -20.137 flat angles C4'-P-C4' energy: -19.470 flat angles P-C4'-P energy: -9.932 tors. eta vs tors. theta energy: -22.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -258.559750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.559750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.559750 (E_RNA) where: Base-Base interactions energy: -183.510 where: short stacking energy: -86.333 Base-Backbone interact. energy: 0.089 local terms energy: -75.138435 where: bonds (distance) C4'-P energy: -13.047 bonds (distance) P-C4' energy: -13.117 flat angles C4'-P-C4' energy: -17.883 flat angles P-C4'-P energy: -9.066 tors. eta vs tors. theta energy: -22.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -281.462456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.462456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.462456 (E_RNA) where: Base-Base interactions energy: -195.402 where: short stacking energy: -89.165 Base-Backbone interact. energy: -1.084 local terms energy: -84.976727 where: bonds (distance) C4'-P energy: -13.747 bonds (distance) P-C4' energy: -16.809 flat angles C4'-P-C4' energy: -20.126 flat angles P-C4'-P energy: -12.833 tors. eta vs tors. theta energy: -21.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -268.340429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.340429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.340429 (E_RNA) where: Base-Base interactions energy: -182.570 where: short stacking energy: -83.917 Base-Backbone interact. energy: -0.488 local terms energy: -85.282372 where: bonds (distance) C4'-P energy: -14.488 bonds (distance) P-C4' energy: -19.086 flat angles C4'-P-C4' energy: -20.230 flat angles P-C4'-P energy: -11.884 tors. eta vs tors. theta energy: -19.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -226.277184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.277184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.277184 (E_RNA) where: Base-Base interactions energy: -157.427 where: short stacking energy: -79.514 Base-Backbone interact. energy: -0.014 local terms energy: -68.836520 where: bonds (distance) C4'-P energy: -17.530 bonds (distance) P-C4' energy: -12.751 flat angles C4'-P-C4' energy: -13.610 flat angles P-C4'-P energy: -5.260 tors. eta vs tors. theta energy: -19.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -233.507616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.507616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.507616 (E_RNA) where: Base-Base interactions energy: -163.576 where: short stacking energy: -70.575 Base-Backbone interact. energy: -0.568 local terms energy: -69.363006 where: bonds (distance) C4'-P energy: -11.036 bonds (distance) P-C4' energy: -16.668 flat angles C4'-P-C4' energy: -18.232 flat angles P-C4'-P energy: -9.915 tors. eta vs tors. theta energy: -13.512 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: 7, replica: 5 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -219.980965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.980965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.980965 (E_RNA) where: Base-Base interactions energy: -149.184 where: short stacking energy: -66.909 Base-Backbone interact. energy: 2.076 local terms energy: -72.872947 where: bonds (distance) C4'-P energy: -15.056 bonds (distance) P-C4' energy: -13.920 flat angles C4'-P-C4' energy: -19.140 flat angles P-C4'-P energy: -7.890 tors. eta vs tors. theta energy: -16.867 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: 6 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -193.433093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.433093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.433093 (E_RNA) where: Base-Base interactions energy: -136.792 where: short stacking energy: -60.844 Base-Backbone interact. energy: -0.350 local terms energy: -56.291147 where: bonds (distance) C4'-P energy: -11.309 bonds (distance) P-C4' energy: -14.194 flat angles C4'-P-C4' energy: -13.501 flat angles P-C4'-P energy: -3.507 tors. eta vs tors. theta energy: -13.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -209.234915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.234915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.234915 (E_RNA) where: Base-Base interactions energy: -142.986 where: short stacking energy: -58.611 Base-Backbone interact. energy: -0.567 local terms energy: -65.682391 where: bonds (distance) C4'-P energy: -12.125 bonds (distance) P-C4' energy: -15.658 flat angles C4'-P-C4' energy: -15.593 flat angles P-C4'-P energy: -12.261 tors. eta vs tors. theta energy: -10.045 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: 10, replica: 2 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -176.156241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.156241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.156241 (E_RNA) where: Base-Base interactions energy: -121.295 where: short stacking energy: -50.230 Base-Backbone interact. energy: -0.322 local terms energy: -54.539457 where: bonds (distance) C4'-P energy: -13.275 bonds (distance) P-C4' energy: -13.387 flat angles C4'-P-C4' energy: -13.529 flat angles P-C4'-P energy: -7.939 tors. eta vs tors. theta energy: -6.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -282.908498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.908498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.908498 (E_RNA) where: Base-Base interactions energy: -203.528 where: short stacking energy: -83.754 Base-Backbone interact. energy: -2.049 local terms energy: -77.331714 where: bonds (distance) C4'-P energy: -11.349 bonds (distance) P-C4' energy: -17.481 flat angles C4'-P-C4' energy: -18.635 flat angles P-C4'-P energy: -9.506 tors. eta vs tors. theta energy: -20.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -271.321934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.321934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.321934 (E_RNA) where: Base-Base interactions energy: -189.384 where: short stacking energy: -82.927 Base-Backbone interact. energy: -0.316 local terms energy: -81.622021 where: bonds (distance) C4'-P energy: -15.320 bonds (distance) P-C4' energy: -17.867 flat angles C4'-P-C4' energy: -17.955 flat angles P-C4'-P energy: -9.383 tors. eta vs tors. theta energy: -21.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -260.289478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.289478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.289478 (E_RNA) where: Base-Base interactions energy: -176.803 where: short stacking energy: -84.402 Base-Backbone interact. energy: -0.001 local terms energy: -83.484929 where: bonds (distance) C4'-P energy: -15.288 bonds (distance) P-C4' energy: -14.287 flat angles C4'-P-C4' energy: -20.435 flat angles P-C4'-P energy: -13.245 tors. eta vs tors. theta energy: -20.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -235.435998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.435998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.435998 (E_RNA) where: Base-Base interactions energy: -155.253 where: short stacking energy: -76.616 Base-Backbone interact. energy: -0.123 local terms energy: -80.059628 where: bonds (distance) C4'-P energy: -16.301 bonds (distance) P-C4' energy: -16.157 flat angles C4'-P-C4' energy: -15.749 flat angles P-C4'-P energy: -10.492 tors. eta vs tors. theta energy: -21.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -248.336336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.336336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.336336 (E_RNA) where: Base-Base interactions energy: -173.167 where: short stacking energy: -70.856 Base-Backbone interact. energy: -0.046 local terms energy: -75.124088 where: bonds (distance) C4'-P energy: -17.712 bonds (distance) P-C4' energy: -16.175 flat angles C4'-P-C4' energy: -14.967 flat angles P-C4'-P energy: -10.113 tors. eta vs tors. theta energy: -16.157 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: 5 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -248.619130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.619130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.619130 (E_RNA) where: Base-Base interactions energy: -168.532 where: short stacking energy: -87.396 Base-Backbone interact. energy: -0.167 local terms energy: -79.920464 where: bonds (distance) C4'-P energy: -9.388 bonds (distance) P-C4' energy: -14.654 flat angles C4'-P-C4' energy: -20.716 flat angles P-C4'-P energy: -12.084 tors. eta vs tors. theta energy: -23.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -220.456085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.456085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.456085 (E_RNA) where: Base-Base interactions energy: -156.395 where: short stacking energy: -71.494 Base-Backbone interact. energy: 0.827 local terms energy: -64.887915 where: bonds (distance) C4'-P energy: -10.837 bonds (distance) P-C4' energy: -13.881 flat angles C4'-P-C4' energy: -15.914 flat angles P-C4'-P energy: -8.974 tors. eta vs tors. theta energy: -15.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -207.029141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.029141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.029141 (E_RNA) where: Base-Base interactions energy: -137.029 where: short stacking energy: -62.414 Base-Backbone interact. energy: -0.967 local terms energy: -69.033163 where: bonds (distance) C4'-P energy: -16.650 bonds (distance) P-C4' energy: -17.867 flat angles C4'-P-C4' energy: -14.981 flat angles P-C4'-P energy: -6.177 tors. eta vs tors. theta energy: -13.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -213.487507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.487507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.487507 (E_RNA) where: Base-Base interactions energy: -138.695 where: short stacking energy: -59.763 Base-Backbone interact. energy: -0.151 local terms energy: -74.642083 where: bonds (distance) C4'-P energy: -16.476 bonds (distance) P-C4' energy: -16.644 flat angles C4'-P-C4' energy: -17.584 flat angles P-C4'-P energy: -9.862 tors. eta vs tors. theta energy: -14.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -192.381933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.381933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.381933 (E_RNA) where: Base-Base interactions energy: -131.018 where: short stacking energy: -60.210 Base-Backbone interact. energy: -0.163 local terms energy: -61.201548 where: bonds (distance) C4'-P energy: -14.475 bonds (distance) P-C4' energy: -14.246 flat angles C4'-P-C4' energy: -17.674 flat angles P-C4'-P energy: -4.335 tors. eta vs tors. theta energy: -10.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -278.292862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.292862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.292862 (E_RNA) where: Base-Base interactions energy: -190.903 where: short stacking energy: -81.106 Base-Backbone interact. energy: -3.841 local terms energy: -83.547990 where: bonds (distance) C4'-P energy: -13.126 bonds (distance) P-C4' energy: -19.227 flat angles C4'-P-C4' energy: -16.238 flat angles P-C4'-P energy: -14.814 tors. eta vs tors. theta energy: -20.143 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: 3 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -284.909497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.909497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.909497 (E_RNA) where: Base-Base interactions energy: -202.206 where: short stacking energy: -94.272 Base-Backbone interact. energy: 0.728 local terms energy: -83.431443 where: bonds (distance) C4'-P energy: -17.282 bonds (distance) P-C4' energy: -15.341 flat angles C4'-P-C4' energy: -16.477 flat angles P-C4'-P energy: -12.018 tors. eta vs tors. theta energy: -22.314 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: 9 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -246.100867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.100867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.100867 (E_RNA) where: Base-Base interactions energy: -164.406 where: short stacking energy: -75.244 Base-Backbone interact. energy: -0.099 local terms energy: -81.595507 where: bonds (distance) C4'-P energy: -19.388 bonds (distance) P-C4' energy: -16.329 flat angles C4'-P-C4' energy: -15.730 flat angles P-C4'-P energy: -7.800 tors. eta vs tors. theta energy: -22.349 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: 4, replica: 10 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -243.615011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.615011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.615011 (E_RNA) where: Base-Base interactions energy: -153.919 where: short stacking energy: -76.434 Base-Backbone interact. energy: 0.041 local terms energy: -89.737230 where: bonds (distance) C4'-P energy: -16.199 bonds (distance) P-C4' energy: -17.193 flat angles C4'-P-C4' energy: -20.739 flat angles P-C4'-P energy: -13.055 tors. eta vs tors. theta energy: -22.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -238.611892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.611892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.611892 (E_RNA) where: Base-Base interactions energy: -176.077 where: short stacking energy: -82.031 Base-Backbone interact. energy: -0.288 local terms energy: -62.246277 where: bonds (distance) C4'-P energy: -10.388 bonds (distance) P-C4' energy: -8.914 flat angles C4'-P-C4' energy: -15.046 flat angles P-C4'-P energy: -8.303 tors. eta vs tors. theta energy: -19.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -249.087909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.087909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.087909 (E_RNA) where: Base-Base interactions energy: -178.788 where: short stacking energy: -77.602 Base-Backbone interact. energy: 0.339 local terms energy: -70.638411 where: bonds (distance) C4'-P energy: -16.418 bonds (distance) P-C4' energy: -15.511 flat angles C4'-P-C4' energy: -15.499 flat angles P-C4'-P energy: -6.207 tors. eta vs tors. theta energy: -17.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -222.952622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.952622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.952622 (E_RNA) where: Base-Base interactions energy: -152.141 where: short stacking energy: -72.096 Base-Backbone interact. energy: 0.184 local terms energy: -70.996013 where: bonds (distance) C4'-P energy: -14.844 bonds (distance) P-C4' energy: -13.496 flat angles C4'-P-C4' energy: -14.713 flat angles P-C4'-P energy: -8.672 tors. eta vs tors. theta energy: -19.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -212.439543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.439543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.439543 (E_RNA) where: Base-Base interactions energy: -144.872 where: short stacking energy: -66.679 Base-Backbone interact. energy: -0.244 local terms energy: -67.324006 where: bonds (distance) C4'-P energy: -13.692 bonds (distance) P-C4' energy: -15.964 flat angles C4'-P-C4' energy: -15.552 flat angles P-C4'-P energy: -7.008 tors. eta vs tors. theta energy: -15.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -191.888032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.888032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.888032 (E_RNA) where: Base-Base interactions energy: -128.427 where: short stacking energy: -62.541 Base-Backbone interact. energy: 1.574 local terms energy: -65.034862 where: bonds (distance) C4'-P energy: -12.799 bonds (distance) P-C4' energy: -16.125 flat angles C4'-P-C4' energy: -14.713 flat angles P-C4'-P energy: -7.209 tors. eta vs tors. theta energy: -14.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -195.738220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.738220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.738220 (E_RNA) where: Base-Base interactions energy: -128.052 where: short stacking energy: -54.524 Base-Backbone interact. energy: -0.421 local terms energy: -67.264773 where: bonds (distance) C4'-P energy: -15.510 bonds (distance) P-C4' energy: -12.880 flat angles C4'-P-C4' energy: -16.042 flat angles P-C4'-P energy: -11.228 tors. eta vs tors. theta energy: -11.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -291.523746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.523746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.523746 (E_RNA) where: Base-Base interactions energy: -207.063 where: short stacking energy: -89.983 Base-Backbone interact. energy: -1.664 local terms energy: -82.796123 where: bonds (distance) C4'-P energy: -15.312 bonds (distance) P-C4' energy: -19.314 flat angles C4'-P-C4' energy: -16.844 flat angles P-C4'-P energy: -11.608 tors. eta vs tors. theta energy: -19.717 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: 399 Temperature: 0.950000 Total energy: -286.201281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.201281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.201281 (E_RNA) where: Base-Base interactions energy: -204.306 where: short stacking energy: -87.614 Base-Backbone interact. energy: -0.599 local terms energy: -81.296730 where: bonds (distance) C4'-P energy: -15.461 bonds (distance) P-C4' energy: -19.111 flat angles C4'-P-C4' energy: -18.500 flat angles P-C4'-P energy: -7.748 tors. eta vs tors. theta energy: -20.477 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: 9 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -247.284054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.284054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.284054 (E_RNA) where: Base-Base interactions energy: -168.278 where: short stacking energy: -83.701 Base-Backbone interact. energy: -0.123 local terms energy: -78.882318 where: bonds (distance) C4'-P energy: -14.061 bonds (distance) P-C4' energy: -19.510 flat angles C4'-P-C4' energy: -19.030 flat angles P-C4'-P energy: -12.458 tors. eta vs tors. theta energy: -13.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -241.367993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.367993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.367993 (E_RNA) where: Base-Base interactions energy: -160.922 where: short stacking energy: -77.672 Base-Backbone interact. energy: -0.615 local terms energy: -79.831312 where: bonds (distance) C4'-P energy: -18.061 bonds (distance) P-C4' energy: -15.900 flat angles C4'-P-C4' energy: -18.058 flat angles P-C4'-P energy: -8.707 tors. eta vs tors. theta energy: -19.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -227.924134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.924134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.924134 (E_RNA) where: Base-Base interactions energy: -157.242 where: short stacking energy: -73.046 Base-Backbone interact. energy: -1.344 local terms energy: -69.338257 where: bonds (distance) C4'-P energy: -13.854 bonds (distance) P-C4' energy: -16.712 flat angles C4'-P-C4' energy: -10.785 flat angles P-C4'-P energy: -9.511 tors. eta vs tors. theta energy: -18.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -256.809977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.809977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.809977 (E_RNA) where: Base-Base interactions energy: -184.407 where: short stacking energy: -74.186 Base-Backbone interact. energy: -0.337 local terms energy: -72.066459 where: bonds (distance) C4'-P energy: -16.136 bonds (distance) P-C4' energy: -16.940 flat angles C4'-P-C4' energy: -16.654 flat angles P-C4'-P energy: -5.844 tors. eta vs tors. theta energy: -16.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -221.913583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.913583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.913583 (E_RNA) where: Base-Base interactions energy: -151.238 where: short stacking energy: -79.651 Base-Backbone interact. energy: -0.784 local terms energy: -69.890678 where: bonds (distance) C4'-P energy: -12.601 bonds (distance) P-C4' energy: -12.500 flat angles C4'-P-C4' energy: -19.224 flat angles P-C4'-P energy: -8.072 tors. eta vs tors. theta energy: -17.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -219.416045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.416045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.416045 (E_RNA) where: Base-Base interactions energy: -150.634 where: short stacking energy: -75.055 Base-Backbone interact. energy: -0.472 local terms energy: -68.309709 where: bonds (distance) C4'-P energy: -13.100 bonds (distance) P-C4' energy: -12.800 flat angles C4'-P-C4' energy: -11.269 flat angles P-C4'-P energy: -13.753 tors. eta vs tors. theta energy: -17.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -208.834213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.834213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.834213 (E_RNA) where: Base-Base interactions energy: -147.216 where: short stacking energy: -68.713 Base-Backbone interact. energy: -0.195 local terms energy: -61.423026 where: bonds (distance) C4'-P energy: -10.757 bonds (distance) P-C4' energy: -11.452 flat angles C4'-P-C4' energy: -15.181 flat angles P-C4'-P energy: -8.509 tors. eta vs tors. theta energy: -15.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -219.998422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.998422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.998422 (E_RNA) where: Base-Base interactions energy: -143.949 where: short stacking energy: -66.025 Base-Backbone interact. energy: -0.446 local terms energy: -75.602871 where: bonds (distance) C4'-P energy: -16.683 bonds (distance) P-C4' energy: -18.166 flat angles C4'-P-C4' energy: -14.298 flat angles P-C4'-P energy: -6.340 tors. eta vs tors. theta energy: -20.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -292.349331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.349331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.349331 (E_RNA) where: Base-Base interactions energy: -208.330 where: short stacking energy: -89.174 Base-Backbone interact. energy: -0.931 local terms energy: -83.087956 where: bonds (distance) C4'-P energy: -15.697 bonds (distance) P-C4' energy: -15.439 flat angles C4'-P-C4' energy: -19.266 flat angles P-C4'-P energy: -9.544 tors. eta vs tors. theta energy: -23.143 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: 8 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -276.818187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.818187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.818187 (E_RNA) where: Base-Base interactions energy: -200.711 where: short stacking energy: -87.977 Base-Backbone interact. energy: 0.807 local terms energy: -76.914841 where: bonds (distance) C4'-P energy: -14.784 bonds (distance) P-C4' energy: -17.506 flat angles C4'-P-C4' energy: -16.664 flat angles P-C4'-P energy: -11.087 tors. eta vs tors. theta energy: -16.873 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: 400 Temperature: 1.000000 Total energy: -240.219028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.219028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.219028 (E_RNA) where: Base-Base interactions energy: -158.752 where: short stacking energy: -83.217 Base-Backbone interact. energy: -0.085 local terms energy: -81.382461 where: bonds (distance) C4'-P energy: -16.777 bonds (distance) P-C4' energy: -16.001 flat angles C4'-P-C4' energy: -19.566 flat angles P-C4'-P energy: -11.565 tors. eta vs tors. theta energy: -17.473 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: 9 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -242.483547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.483547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.483547 (E_RNA) where: Base-Base interactions energy: -162.476 where: short stacking energy: -78.550 Base-Backbone interact. energy: 0.888 local terms energy: -80.895337 where: bonds (distance) C4'-P energy: -17.013 bonds (distance) P-C4' energy: -18.083 flat angles C4'-P-C4' energy: -16.267 flat angles P-C4'-P energy: -6.901 tors. eta vs tors. theta energy: -22.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -265.261082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.261082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.261082 (E_RNA) where: Base-Base interactions energy: -193.177 where: short stacking energy: -74.479 Base-Backbone interact. energy: -1.150 local terms energy: -70.934224 where: bonds (distance) C4'-P energy: -13.833 bonds (distance) P-C4' energy: -15.512 flat angles C4'-P-C4' energy: -15.133 flat angles P-C4'-P energy: -7.512 tors. eta vs tors. theta energy: -18.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -239.115103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.115103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.115103 (E_RNA) where: Base-Base interactions energy: -164.284 where: short stacking energy: -78.579 Base-Backbone interact. energy: -0.015 local terms energy: -74.815980 where: bonds (distance) C4'-P energy: -15.162 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -20.068 flat angles P-C4'-P energy: -9.324 tors. eta vs tors. theta energy: -20.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -212.112366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.112366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.112366 (E_RNA) where: Base-Base interactions energy: -145.515 where: short stacking energy: -66.732 Base-Backbone interact. energy: -0.337 local terms energy: -66.260938 where: bonds (distance) C4'-P energy: -15.913 bonds (distance) P-C4' energy: -15.020 flat angles C4'-P-C4' energy: -17.925 flat angles P-C4'-P energy: -7.213 tors. eta vs tors. theta energy: -10.190 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: 4 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -209.330771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.330771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.330771 (E_RNA) where: Base-Base interactions energy: -139.034 where: short stacking energy: -65.503 Base-Backbone interact. energy: -0.846 local terms energy: -69.451323 where: bonds (distance) C4'-P energy: -12.679 bonds (distance) P-C4' energy: -13.471 flat angles C4'-P-C4' energy: -18.786 flat angles P-C4'-P energy: -12.464 tors. eta vs tors. theta energy: -12.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -213.224906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.224906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.224906 (E_RNA) where: Base-Base interactions energy: -147.021 where: short stacking energy: -64.812 Base-Backbone interact. energy: -0.163 local terms energy: -66.040635 where: bonds (distance) C4'-P energy: -13.965 bonds (distance) P-C4' energy: -14.947 flat angles C4'-P-C4' energy: -18.513 flat angles P-C4'-P energy: -4.838 tors. eta vs tors. theta energy: -13.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -206.017956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.017956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.017956 (E_RNA) where: Base-Base interactions energy: -139.269 where: short stacking energy: -66.913 Base-Backbone interact. energy: -0.771 local terms energy: -65.978679 where: bonds (distance) C4'-P energy: -13.080 bonds (distance) P-C4' energy: -16.157 flat angles C4'-P-C4' energy: -16.386 flat angles P-C4'-P energy: -8.445 tors. eta vs tors. theta energy: -11.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -290.960409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.960409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.960409 (E_RNA) where: Base-Base interactions energy: -206.239 where: short stacking energy: -84.911 Base-Backbone interact. energy: -2.689 local terms energy: -82.032853 where: bonds (distance) C4'-P energy: -17.493 bonds (distance) P-C4' energy: -16.002 flat angles C4'-P-C4' energy: -16.965 flat angles P-C4'-P energy: -8.502 tors. eta vs tors. theta energy: -23.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -285.711513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.711513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.711513 (E_RNA) where: Base-Base interactions energy: -200.353 where: short stacking energy: -88.802 Base-Backbone interact. energy: -0.620 local terms energy: -84.738504 where: bonds (distance) C4'-P energy: -17.663 bonds (distance) P-C4' energy: -18.090 flat angles C4'-P-C4' energy: -17.611 flat angles P-C4'-P energy: -9.535 tors. eta vs tors. theta energy: -21.839 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: 10 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -248.577177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.577177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.577177 (E_RNA) where: Base-Base interactions energy: -156.781 where: short stacking energy: -77.309 Base-Backbone interact. energy: -0.302 local terms energy: -91.494464 where: bonds (distance) C4'-P energy: -18.677 bonds (distance) P-C4' energy: -20.609 flat angles C4'-P-C4' energy: -17.740 flat angles P-C4'-P energy: -14.769 tors. eta vs tors. theta energy: -19.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -277.337351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.337351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.337351 (E_RNA) where: Base-Base interactions energy: -191.665 where: short stacking energy: -76.727 Base-Backbone interact. energy: -0.017 local terms energy: -85.655471 where: bonds (distance) C4'-P energy: -19.431 bonds (distance) P-C4' energy: -19.058 flat angles C4'-P-C4' energy: -19.649 flat angles P-C4'-P energy: -10.724 tors. eta vs tors. theta energy: -16.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -237.860174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.860174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.860174 (E_RNA) where: Base-Base interactions energy: -156.099 where: short stacking energy: -74.686 Base-Backbone interact. energy: 0.854 local terms energy: -82.615820 where: bonds (distance) C4'-P energy: -16.224 bonds (distance) P-C4' energy: -16.922 flat angles C4'-P-C4' energy: -18.685 flat angles P-C4'-P energy: -13.405 tors. eta vs tors. theta energy: -17.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -229.534600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.534600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.534600 (E_RNA) where: Base-Base interactions energy: -150.552 where: short stacking energy: -77.157 Base-Backbone interact. energy: -0.183 local terms energy: -78.798949 where: bonds (distance) C4'-P energy: -17.874 bonds (distance) P-C4' energy: -15.847 flat angles C4'-P-C4' energy: -16.465 flat angles P-C4'-P energy: -11.577 tors. eta vs tors. theta energy: -17.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -220.377076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.377076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.377076 (E_RNA) where: Base-Base interactions energy: -145.724 where: short stacking energy: -65.902 Base-Backbone interact. energy: -2.223 local terms energy: -72.430727 where: bonds (distance) C4'-P energy: -16.495 bonds (distance) P-C4' energy: -18.875 flat angles C4'-P-C4' energy: -17.094 flat angles P-C4'-P energy: -6.172 tors. eta vs tors. theta energy: -13.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -218.559417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.559417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.559417 (E_RNA) where: Base-Base interactions energy: -143.954 where: short stacking energy: -70.883 Base-Backbone interact. energy: -0.068 local terms energy: -74.537251 where: bonds (distance) C4'-P energy: -15.590 bonds (distance) P-C4' energy: -16.026 flat angles C4'-P-C4' energy: -17.194 flat angles P-C4'-P energy: -10.265 tors. eta vs tors. theta energy: -15.463 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: 9, replica: 6 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -205.023855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.023855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.023855 (E_RNA) where: Base-Base interactions energy: -135.630 where: short stacking energy: -64.627 Base-Backbone interact. energy: 0.170 local terms energy: -69.564352 where: bonds (distance) C4'-P energy: -10.762 bonds (distance) P-C4' energy: -15.788 flat angles C4'-P-C4' energy: -13.974 flat angles P-C4'-P energy: -13.289 tors. eta vs tors. theta energy: -15.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -195.516984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.516984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.516984 (E_RNA) where: Base-Base interactions energy: -126.670 where: short stacking energy: -59.586 Base-Backbone interact. energy: -0.151 local terms energy: -68.696500 where: bonds (distance) C4'-P energy: -16.024 bonds (distance) P-C4' energy: -20.849 flat angles C4'-P-C4' energy: -15.179 flat angles P-C4'-P energy: -7.507 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: 1, replica: 8 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -290.899665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.899665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.899665 (E_RNA) where: Base-Base interactions energy: -204.498 where: short stacking energy: -93.928 Base-Backbone interact. energy: -0.357 local terms energy: -86.045103 where: bonds (distance) C4'-P energy: -16.305 bonds (distance) P-C4' energy: -19.358 flat angles C4'-P-C4' energy: -16.270 flat angles P-C4'-P energy: -11.373 tors. eta vs tors. theta energy: -22.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -286.054802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.054802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.054802 (E_RNA) where: Base-Base interactions energy: -201.635 where: short stacking energy: -90.646 Base-Backbone interact. energy: -0.382 local terms energy: -84.037113 where: bonds (distance) C4'-P energy: -14.511 bonds (distance) P-C4' energy: -19.041 flat angles C4'-P-C4' energy: -16.883 flat angles P-C4'-P energy: -10.951 tors. eta vs tors. theta energy: -22.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -273.564143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.564143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.564143 (E_RNA) where: Base-Base interactions energy: -198.154 where: short stacking energy: -86.799 Base-Backbone interact. energy: -0.127 local terms energy: -75.283286 where: bonds (distance) C4'-P energy: -13.365 bonds (distance) P-C4' energy: -16.004 flat angles C4'-P-C4' energy: -18.486 flat angles P-C4'-P energy: -5.330 tors. eta vs tors. theta energy: -22.097 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: 10 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -248.950243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.950243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.950243 (E_RNA) where: Base-Base interactions energy: -172.737 where: short stacking energy: -85.015 Base-Backbone interact. energy: -0.607 local terms energy: -75.606366 where: bonds (distance) C4'-P energy: -19.540 bonds (distance) P-C4' energy: -16.703 flat angles C4'-P-C4' energy: -15.399 flat angles P-C4'-P energy: -6.987 tors. eta vs tors. theta energy: -16.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -230.274757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.274757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.274757 (E_RNA) where: Base-Base interactions energy: -152.324 where: short stacking energy: -70.398 Base-Backbone interact. energy: -0.908 local terms energy: -77.041965 where: bonds (distance) C4'-P energy: -15.211 bonds (distance) P-C4' energy: -20.110 flat angles C4'-P-C4' energy: -18.514 flat angles P-C4'-P energy: -4.830 tors. eta vs tors. theta energy: -18.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -232.679491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.679491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.679491 (E_RNA) where: Base-Base interactions energy: -166.276 where: short stacking energy: -72.101 Base-Backbone interact. energy: -0.029 local terms energy: -66.373744 where: bonds (distance) C4'-P energy: -10.526 bonds (distance) P-C4' energy: -16.503 flat angles C4'-P-C4' energy: -16.257 flat angles P-C4'-P energy: -5.337 tors. eta vs tors. theta energy: -17.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -222.016367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.016367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.016367 (E_RNA) where: Base-Base interactions energy: -145.408 where: short stacking energy: -68.948 Base-Backbone interact. energy: -0.006 local terms energy: -76.602648 where: bonds (distance) C4'-P energy: -9.851 bonds (distance) P-C4' energy: -18.203 flat angles C4'-P-C4' energy: -17.615 flat angles P-C4'-P energy: -9.896 tors. eta vs tors. theta energy: -21.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -208.744667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.744667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.744667 (E_RNA) where: Base-Base interactions energy: -143.483 where: short stacking energy: -63.771 Base-Backbone interact. energy: -0.378 local terms energy: -64.883690 where: bonds (distance) C4'-P energy: -13.173 bonds (distance) P-C4' energy: -11.094 flat angles C4'-P-C4' energy: -14.032 flat angles P-C4'-P energy: -11.231 tors. eta vs tors. theta energy: -15.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -192.780933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.780933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.780933 (E_RNA) where: Base-Base interactions energy: -129.544 where: short stacking energy: -57.826 Base-Backbone interact. energy: -0.026 local terms energy: -63.210496 where: bonds (distance) C4'-P energy: -12.708 bonds (distance) P-C4' energy: -17.839 flat angles C4'-P-C4' energy: -16.665 flat angles P-C4'-P energy: -4.950 tors. eta vs tors. theta energy: -11.048 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: 6 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -204.129863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.129863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.129863 (E_RNA) where: Base-Base interactions energy: -134.928 where: short stacking energy: -67.301 Base-Backbone interact. energy: -0.172 local terms energy: -69.029625 where: bonds (distance) C4'-P energy: -14.658 bonds (distance) P-C4' energy: -14.877 flat angles C4'-P-C4' energy: -15.076 flat angles P-C4'-P energy: -11.076 tors. eta vs tors. theta energy: -13.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -291.012955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.012955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.012955 (E_RNA) where: Base-Base interactions energy: -204.917 where: short stacking energy: -84.209 Base-Backbone interact. energy: -0.580 local terms energy: -85.516745 where: bonds (distance) C4'-P energy: -18.330 bonds (distance) P-C4' energy: -17.181 flat angles C4'-P-C4' energy: -17.473 flat angles P-C4'-P energy: -9.865 tors. eta vs tors. theta energy: -22.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -287.471223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.471223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.471223 (E_RNA) where: Base-Base interactions energy: -202.361 where: short stacking energy: -92.520 Base-Backbone interact. energy: -0.477 local terms energy: -84.633552 where: bonds (distance) C4'-P energy: -19.051 bonds (distance) P-C4' energy: -17.076 flat angles C4'-P-C4' energy: -19.011 flat angles P-C4'-P energy: -5.928 tors. eta vs tors. theta energy: -23.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -279.460397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.460397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.460397 (E_RNA) where: Base-Base interactions energy: -201.555 where: short stacking energy: -89.399 Base-Backbone interact. energy: -1.171 local terms energy: -76.734499 where: bonds (distance) C4'-P energy: -15.241 bonds (distance) P-C4' energy: -14.682 flat angles C4'-P-C4' energy: -17.195 flat angles P-C4'-P energy: -7.756 tors. eta vs tors. theta energy: -21.860 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: 10 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -241.879854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.879854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.879854 (E_RNA) where: Base-Base interactions energy: -165.022 where: short stacking energy: -81.583 Base-Backbone interact. energy: -0.666 local terms energy: -76.192304 where: bonds (distance) C4'-P energy: -15.515 bonds (distance) P-C4' energy: -17.164 flat angles C4'-P-C4' energy: -14.970 flat angles P-C4'-P energy: -7.273 tors. eta vs tors. theta energy: -21.270 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: 2 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -226.474867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.474867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.474867 (E_RNA) where: Base-Base interactions energy: -164.574 where: short stacking energy: -82.307 Base-Backbone interact. energy: 0.261 local terms energy: -62.161612 where: bonds (distance) C4'-P energy: -11.740 bonds (distance) P-C4' energy: -15.620 flat angles C4'-P-C4' energy: -7.436 flat angles P-C4'-P energy: -8.893 tors. eta vs tors. theta energy: -18.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -232.140144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.140144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.140144 (E_RNA) where: Base-Base interactions energy: -150.050 where: short stacking energy: -73.020 Base-Backbone interact. energy: -0.001 local terms energy: -82.089250 where: bonds (distance) C4'-P energy: -14.632 bonds (distance) P-C4' energy: -17.284 flat angles C4'-P-C4' energy: -19.636 flat angles P-C4'-P energy: -9.037 tors. eta vs tors. theta energy: -21.500 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: 7, replica: 9 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -225.305131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.305131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.305131 (E_RNA) where: Base-Base interactions energy: -148.975 where: short stacking energy: -65.704 Base-Backbone interact. energy: -0.106 local terms energy: -76.224422 where: bonds (distance) C4'-P energy: -16.421 bonds (distance) P-C4' energy: -15.469 flat angles C4'-P-C4' energy: -16.417 flat angles P-C4'-P energy: -13.015 tors. eta vs tors. theta energy: -14.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -214.428488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.428488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.428488 (E_RNA) where: Base-Base interactions energy: -150.229 where: short stacking energy: -75.183 Base-Backbone interact. energy: -0.161 local terms energy: -64.039236 where: bonds (distance) C4'-P energy: -10.808 bonds (distance) P-C4' energy: -10.646 flat angles C4'-P-C4' energy: -14.135 flat angles P-C4'-P energy: -10.374 tors. eta vs tors. theta energy: -18.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -207.366270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.366270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.366270 (E_RNA) where: Base-Base interactions energy: -134.540 where: short stacking energy: -67.114 Base-Backbone interact. energy: -0.239 local terms energy: -72.586382 where: bonds (distance) C4'-P energy: -13.876 bonds (distance) P-C4' energy: -15.189 flat angles C4'-P-C4' energy: -16.641 flat angles P-C4'-P energy: -12.209 tors. eta vs tors. theta energy: -14.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -199.202129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.202129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.202129 (E_RNA) where: Base-Base interactions energy: -134.397 where: short stacking energy: -51.923 Base-Backbone interact. energy: -0.456 local terms energy: -64.349171 where: bonds (distance) C4'-P energy: -14.314 bonds (distance) P-C4' energy: -15.362 flat angles C4'-P-C4' energy: -15.147 flat angles P-C4'-P energy: -10.260 tors. eta vs tors. theta energy: -9.266 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: 404 Temperature: 0.900000 Total energy: -286.745409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.745409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.745409 (E_RNA) where: Base-Base interactions energy: -201.944 where: short stacking energy: -89.996 Base-Backbone interact. energy: -0.328 local terms energy: -84.473315 where: bonds (distance) C4'-P energy: -18.491 bonds (distance) P-C4' energy: -17.152 flat angles C4'-P-C4' energy: -16.636 flat angles P-C4'-P energy: -9.401 tors. eta vs tors. theta energy: -22.793 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: 8 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -287.862487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.862487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.862487 (E_RNA) where: Base-Base interactions energy: -199.863 where: short stacking energy: -81.055 Base-Backbone interact. energy: -0.777 local terms energy: -87.222060 where: bonds (distance) C4'-P energy: -16.811 bonds (distance) P-C4' energy: -19.249 flat angles C4'-P-C4' energy: -18.076 flat angles P-C4'-P energy: -11.195 tors. eta vs tors. theta energy: -21.892 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: 3 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -277.112474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.112474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.112474 (E_RNA) where: Base-Base interactions energy: -202.849 where: short stacking energy: -82.248 Base-Backbone interact. energy: -0.571 local terms energy: -73.692549 where: bonds (distance) C4'-P energy: -13.180 bonds (distance) P-C4' energy: -15.877 flat angles C4'-P-C4' energy: -16.262 flat angles P-C4'-P energy: -8.457 tors. eta vs tors. theta energy: -19.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -230.785866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.785866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.785866 (E_RNA) where: Base-Base interactions energy: -158.407 where: short stacking energy: -74.504 Base-Backbone interact. energy: -0.270 local terms energy: -72.109315 where: bonds (distance) C4'-P energy: -16.983 bonds (distance) P-C4' energy: -12.518 flat angles C4'-P-C4' energy: -17.866 flat angles P-C4'-P energy: -10.577 tors. eta vs tors. theta energy: -14.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -239.785392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.785392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.785392 (E_RNA) where: Base-Base interactions energy: -160.046 where: short stacking energy: -81.107 Base-Backbone interact. energy: -0.370 local terms energy: -79.368750 where: bonds (distance) C4'-P energy: -16.198 bonds (distance) P-C4' energy: -16.979 flat angles C4'-P-C4' energy: -20.688 flat angles P-C4'-P energy: -9.257 tors. eta vs tors. theta energy: -16.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -229.771081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.771081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.771081 (E_RNA) where: Base-Base interactions energy: -155.208 where: short stacking energy: -73.549 Base-Backbone interact. energy: -0.137 local terms energy: -74.425495 where: bonds (distance) C4'-P energy: -11.991 bonds (distance) P-C4' energy: -17.297 flat angles C4'-P-C4' energy: -16.692 flat angles P-C4'-P energy: -9.428 tors. eta vs tors. theta energy: -19.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -208.370055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.370055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.370055 (E_RNA) where: Base-Base interactions energy: -139.893 where: short stacking energy: -65.979 Base-Backbone interact. energy: -0.461 local terms energy: -68.015722 where: bonds (distance) C4'-P energy: -11.656 bonds (distance) P-C4' energy: -17.949 flat angles C4'-P-C4' energy: -16.463 flat angles P-C4'-P energy: -6.739 tors. eta vs tors. theta energy: -15.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -204.110066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.110066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.110066 (E_RNA) where: Base-Base interactions energy: -136.147 where: short stacking energy: -59.188 Base-Backbone interact. energy: -0.337 local terms energy: -67.626023 where: bonds (distance) C4'-P energy: -15.684 bonds (distance) P-C4' energy: -17.617 flat angles C4'-P-C4' energy: -15.773 flat angles P-C4'-P energy: -6.738 tors. eta vs tors. theta energy: -11.814 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: 9, replica: 4 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -207.129133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.129133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.129133 (E_RNA) where: Base-Base interactions energy: -140.946 where: short stacking energy: -62.321 Base-Backbone interact. energy: -0.030 local terms energy: -66.153649 where: bonds (distance) C4'-P energy: -10.903 bonds (distance) P-C4' energy: -13.487 flat angles C4'-P-C4' energy: -14.860 flat angles P-C4'-P energy: -11.571 tors. eta vs tors. theta energy: -15.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -202.499201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.499201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.499201 (E_RNA) where: Base-Base interactions energy: -129.060 where: short stacking energy: -58.554 Base-Backbone interact. energy: -1.544 local terms energy: -71.894898 where: bonds (distance) C4'-P energy: -16.852 bonds (distance) P-C4' energy: -14.830 flat angles C4'-P-C4' energy: -14.755 flat angles P-C4'-P energy: -11.096 tors. eta vs tors. theta energy: -14.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -289.958458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.958458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.958458 (E_RNA) where: Base-Base interactions energy: -203.220 where: short stacking energy: -90.049 Base-Backbone interact. energy: -1.113 local terms energy: -85.625281 where: bonds (distance) C4'-P energy: -13.222 bonds (distance) P-C4' energy: -18.111 flat angles C4'-P-C4' energy: -19.793 flat angles P-C4'-P energy: -11.854 tors. eta vs tors. theta energy: -22.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -265.163347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.163347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.163347 (E_RNA) where: Base-Base interactions energy: -187.328 where: short stacking energy: -84.160 Base-Backbone interact. energy: -0.601 local terms energy: -77.233885 where: bonds (distance) C4'-P energy: -16.202 bonds (distance) P-C4' energy: -15.538 flat angles C4'-P-C4' energy: -16.414 flat angles P-C4'-P energy: -10.721 tors. eta vs tors. theta energy: -18.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -268.514471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.514471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.514471 (E_RNA) where: Base-Base interactions energy: -189.421 where: short stacking energy: -79.869 Base-Backbone interact. energy: -1.118 local terms energy: -77.975401 where: bonds (distance) C4'-P energy: -19.158 bonds (distance) P-C4' energy: -16.104 flat angles C4'-P-C4' energy: -13.308 flat angles P-C4'-P energy: -9.306 tors. eta vs tors. theta energy: -20.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -240.185894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.185894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.185894 (E_RNA) where: Base-Base interactions energy: -162.876 where: short stacking energy: -79.541 Base-Backbone interact. energy: -0.956 local terms energy: -76.354259 where: bonds (distance) C4'-P energy: -17.373 bonds (distance) P-C4' energy: -19.647 flat angles C4'-P-C4' energy: -16.452 flat angles P-C4'-P energy: -2.036 tors. eta vs tors. theta energy: -20.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -225.480317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.480317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.480317 (E_RNA) where: Base-Base interactions energy: -156.954 where: short stacking energy: -78.373 Base-Backbone interact. energy: -0.610 local terms energy: -67.915551 where: bonds (distance) C4'-P energy: -16.823 bonds (distance) P-C4' energy: -12.803 flat angles C4'-P-C4' energy: -12.144 flat angles P-C4'-P energy: -7.438 tors. eta vs tors. theta energy: -18.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -233.276181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.276181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.276181 (E_RNA) where: Base-Base interactions energy: -163.769 where: short stacking energy: -82.920 Base-Backbone interact. energy: -0.361 local terms energy: -69.146377 where: bonds (distance) C4'-P energy: -12.365 bonds (distance) P-C4' energy: -9.118 flat angles C4'-P-C4' energy: -18.665 flat angles P-C4'-P energy: -10.646 tors. eta vs tors. theta energy: -18.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -231.812750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.812750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.812750 (E_RNA) where: Base-Base interactions energy: -156.114 where: short stacking energy: -74.372 Base-Backbone interact. energy: -0.327 local terms energy: -75.371964 where: bonds (distance) C4'-P energy: -12.012 bonds (distance) P-C4' energy: -14.963 flat angles C4'-P-C4' energy: -16.668 flat angles P-C4'-P energy: -8.131 tors. eta vs tors. theta energy: -23.598 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: 4 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -211.532154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.532154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.532154 (E_RNA) where: Base-Base interactions energy: -145.170 where: short stacking energy: -68.826 Base-Backbone interact. energy: -0.010 local terms energy: -66.352144 where: bonds (distance) C4'-P energy: -13.606 bonds (distance) P-C4' energy: -15.972 flat angles C4'-P-C4' energy: -12.749 flat angles P-C4'-P energy: -6.722 tors. eta vs tors. theta energy: -17.303 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: 405 Temperature: 1.300000 Total energy: -212.664682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.664682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.664682 (E_RNA) where: Base-Base interactions energy: -146.221 where: short stacking energy: -69.346 Base-Backbone interact. energy: -0.001 local terms energy: -66.443094 where: bonds (distance) C4'-P energy: -10.977 bonds (distance) P-C4' energy: -13.113 flat angles C4'-P-C4' energy: -17.183 flat angles P-C4'-P energy: -11.426 tors. eta vs tors. theta energy: -13.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -201.023141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.023141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.023141 (E_RNA) where: Base-Base interactions energy: -130.834 where: short stacking energy: -60.416 Base-Backbone interact. energy: 0.835 local terms energy: -71.023863 where: bonds (distance) C4'-P energy: -17.352 bonds (distance) P-C4' energy: -18.630 flat angles C4'-P-C4' energy: -15.899 flat angles P-C4'-P energy: -6.277 tors. eta vs tors. theta energy: -12.865 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: 8 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -280.706753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.706753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.706753 (E_RNA) where: Base-Base interactions energy: -197.404 where: short stacking energy: -86.870 Base-Backbone interact. energy: -0.108 local terms energy: -83.195501 where: bonds (distance) C4'-P energy: -18.500 bonds (distance) P-C4' energy: -18.644 flat angles C4'-P-C4' energy: -15.568 flat angles P-C4'-P energy: -10.553 tors. eta vs tors. theta energy: -19.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -282.234576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.234576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.234576 (E_RNA) where: Base-Base interactions energy: -204.293 where: short stacking energy: -85.619 Base-Backbone interact. energy: 1.230 local terms energy: -79.171722 where: bonds (distance) C4'-P energy: -19.005 bonds (distance) P-C4' energy: -14.426 flat angles C4'-P-C4' energy: -18.294 flat angles P-C4'-P energy: -9.202 tors. eta vs tors. theta energy: -18.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -278.982346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.982346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.982346 (E_RNA) where: Base-Base interactions energy: -196.393 where: short stacking energy: -87.177 Base-Backbone interact. energy: -0.680 local terms energy: -81.909426 where: bonds (distance) C4'-P energy: -16.256 bonds (distance) P-C4' energy: -19.611 flat angles C4'-P-C4' energy: -17.381 flat angles P-C4'-P energy: -7.874 tors. eta vs tors. theta energy: -20.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -235.233322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.233322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.233322 (E_RNA) where: Base-Base interactions energy: -161.950 where: short stacking energy: -80.975 Base-Backbone interact. energy: -0.169 local terms energy: -73.113710 where: bonds (distance) C4'-P energy: -14.194 bonds (distance) P-C4' energy: -16.608 flat angles C4'-P-C4' energy: -17.912 flat angles P-C4'-P energy: -7.932 tors. eta vs tors. theta energy: -16.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -230.181464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.181464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.181464 (E_RNA) where: Base-Base interactions energy: -162.409 where: short stacking energy: -75.857 Base-Backbone interact. energy: -0.109 local terms energy: -67.662999 where: bonds (distance) C4'-P energy: -15.677 bonds (distance) P-C4' energy: -13.331 flat angles C4'-P-C4' energy: -14.151 flat angles P-C4'-P energy: -10.917 tors. eta vs tors. theta energy: -13.587 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: 10 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -226.378292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.378292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.378292 (E_RNA) where: Base-Base interactions energy: -152.156 where: short stacking energy: -72.048 Base-Backbone interact. energy: -0.662 local terms energy: -73.560283 where: bonds (distance) C4'-P energy: -17.221 bonds (distance) P-C4' energy: -13.680 flat angles C4'-P-C4' energy: -17.484 flat angles P-C4'-P energy: -10.130 tors. eta vs tors. theta energy: -15.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -215.298715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.298715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.298715 (E_RNA) where: Base-Base interactions energy: -139.355 where: short stacking energy: -65.873 Base-Backbone interact. energy: -0.091 local terms energy: -75.853442 where: bonds (distance) C4'-P energy: -17.428 bonds (distance) P-C4' energy: -18.899 flat angles C4'-P-C4' energy: -17.149 flat angles P-C4'-P energy: -10.004 tors. eta vs tors. theta energy: -12.373 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: 8, replica: 2 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -212.597753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.597753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.597753 (E_RNA) where: Base-Base interactions energy: -147.795 where: short stacking energy: -72.063 Base-Backbone interact. energy: 0.049 local terms energy: -64.851631 where: bonds (distance) C4'-P energy: -8.429 bonds (distance) P-C4' energy: -17.734 flat angles C4'-P-C4' energy: -17.630 flat angles P-C4'-P energy: -7.130 tors. eta vs tors. theta energy: -13.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -204.732690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.732690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.732690 (E_RNA) where: Base-Base interactions energy: -142.206 where: short stacking energy: -72.292 Base-Backbone interact. energy: 0.635 local terms energy: -63.161883 where: bonds (distance) C4'-P energy: -14.782 bonds (distance) P-C4' energy: -12.534 flat angles C4'-P-C4' energy: -15.703 flat angles P-C4'-P energy: -2.030 tors. eta vs tors. theta energy: -18.113 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: 7 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -203.934697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.934697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.934697 (E_RNA) where: Base-Base interactions energy: -139.705 where: short stacking energy: -64.654 Base-Backbone interact. energy: 1.811 local terms energy: -66.041058 where: bonds (distance) C4'-P energy: -16.156 bonds (distance) P-C4' energy: -13.845 flat angles C4'-P-C4' energy: -19.426 flat angles P-C4'-P energy: -5.197 tors. eta vs tors. theta energy: -11.418 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: 8 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -276.421610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.421610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.421610 (E_RNA) where: Base-Base interactions energy: -191.899 where: short stacking energy: -80.353 Base-Backbone interact. energy: -1.569 local terms energy: -82.953647 where: bonds (distance) C4'-P energy: -18.268 bonds (distance) P-C4' energy: -18.396 flat angles C4'-P-C4' energy: -16.373 flat angles P-C4'-P energy: -10.852 tors. eta vs tors. theta energy: -19.066 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: 3 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -283.741605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.741605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.741605 (E_RNA) where: Base-Base interactions energy: -200.005 where: short stacking energy: -89.691 Base-Backbone interact. energy: -0.393 local terms energy: -83.343044 where: bonds (distance) C4'-P energy: -13.616 bonds (distance) P-C4' energy: -17.257 flat angles C4'-P-C4' energy: -20.634 flat angles P-C4'-P energy: -10.527 tors. eta vs tors. theta energy: -21.309 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: 1 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -270.925421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.925421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.925421 (E_RNA) where: Base-Base interactions energy: -186.467 where: short stacking energy: -86.558 Base-Backbone interact. energy: -0.519 local terms energy: -83.939735 where: bonds (distance) C4'-P energy: -15.148 bonds (distance) P-C4' energy: -19.528 flat angles C4'-P-C4' energy: -19.867 flat angles P-C4'-P energy: -9.967 tors. eta vs tors. theta energy: -19.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -240.140452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.140452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.140452 (E_RNA) where: Base-Base interactions energy: -173.919 where: short stacking energy: -75.013 Base-Backbone interact. energy: -1.441 local terms energy: -64.780353 where: bonds (distance) C4'-P energy: -16.049 bonds (distance) P-C4' energy: -11.891 flat angles C4'-P-C4' energy: -15.519 flat angles P-C4'-P energy: -6.363 tors. eta vs tors. theta energy: -14.958 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: 5 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -236.575835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.575835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.575835 (E_RNA) where: Base-Base interactions energy: -155.674 where: short stacking energy: -76.741 Base-Backbone interact. energy: -0.976 local terms energy: -79.926003 where: bonds (distance) C4'-P energy: -16.039 bonds (distance) P-C4' energy: -20.113 flat angles C4'-P-C4' energy: -18.335 flat angles P-C4'-P energy: -7.984 tors. eta vs tors. theta energy: -17.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -239.672305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.672305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.672305 (E_RNA) where: Base-Base interactions energy: -164.703 where: short stacking energy: -81.240 Base-Backbone interact. energy: -1.374 local terms energy: -73.595228 where: bonds (distance) C4'-P energy: -13.686 bonds (distance) P-C4' energy: -16.657 flat angles C4'-P-C4' energy: -14.456 flat angles P-C4'-P energy: -8.845 tors. eta vs tors. theta energy: -19.952 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: 7, replica: 10 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -213.288875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.288875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.288875 (E_RNA) where: Base-Base interactions energy: -147.323 where: short stacking energy: -67.416 Base-Backbone interact. energy: -0.752 local terms energy: -65.214650 where: bonds (distance) C4'-P energy: -14.219 bonds (distance) P-C4' energy: -17.269 flat angles C4'-P-C4' energy: -13.677 flat angles P-C4'-P energy: -8.021 tors. eta vs tors. theta energy: -12.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -215.312563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.312563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.312563 (E_RNA) where: Base-Base interactions energy: -142.522 where: short stacking energy: -72.550 Base-Backbone interact. energy: -0.341 local terms energy: -72.449812 where: bonds (distance) C4'-P energy: -16.802 bonds (distance) P-C4' energy: -18.389 flat angles C4'-P-C4' energy: -17.920 flat angles P-C4'-P energy: -6.363 tors. eta vs tors. theta energy: -12.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -194.562714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.562714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.562714 (E_RNA) where: Base-Base interactions energy: -135.756 where: short stacking energy: -55.199 Base-Backbone interact. energy: 0.299 local terms energy: -59.105676 where: bonds (distance) C4'-P energy: -12.459 bonds (distance) P-C4' energy: -10.835 flat angles C4'-P-C4' energy: -11.654 flat angles P-C4'-P energy: -10.498 tors. eta vs tors. theta energy: -13.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -192.353595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.353595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.353595 (E_RNA) where: Base-Base interactions energy: -130.909 where: short stacking energy: -55.504 Base-Backbone interact. energy: -1.022 local terms energy: -60.422455 where: bonds (distance) C4'-P energy: -16.744 bonds (distance) P-C4' energy: -19.295 flat angles C4'-P-C4' energy: -9.208 flat angles P-C4'-P energy: -6.840 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: 1, replica: 3 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -289.711265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.711265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.711265 (E_RNA) where: Base-Base interactions energy: -204.345 where: short stacking energy: -87.340 Base-Backbone interact. energy: -0.359 local terms energy: -85.007148 where: bonds (distance) C4'-P energy: -17.254 bonds (distance) P-C4' energy: -18.488 flat angles C4'-P-C4' energy: -18.988 flat angles P-C4'-P energy: -11.420 tors. eta vs tors. theta energy: -18.858 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: 8 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -277.976513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.976513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.976513 (E_RNA) where: Base-Base interactions energy: -193.059 where: short stacking energy: -90.605 Base-Backbone interact. energy: -0.456 local terms energy: -84.461082 where: bonds (distance) C4'-P energy: -16.890 bonds (distance) P-C4' energy: -18.498 flat angles C4'-P-C4' energy: -20.162 flat angles P-C4'-P energy: -8.405 tors. eta vs tors. theta energy: -20.506 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: 9 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -274.948519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.948519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.948519 (E_RNA) where: Base-Base interactions energy: -200.040 where: short stacking energy: -88.641 Base-Backbone interact. energy: -0.607 local terms energy: -74.301348 where: bonds (distance) C4'-P energy: -13.361 bonds (distance) P-C4' energy: -18.047 flat angles C4'-P-C4' energy: -15.565 flat angles P-C4'-P energy: -9.223 tors. eta vs tors. theta energy: -18.106 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: 408 Temperature: 1.050000 Total energy: -271.701206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.701206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.701206 (E_RNA) where: Base-Base interactions energy: -202.078 where: short stacking energy: -93.556 Base-Backbone interact. energy: -0.137 local terms energy: -69.486469 where: bonds (distance) C4'-P energy: -14.671 bonds (distance) P-C4' energy: -15.503 flat angles C4'-P-C4' energy: -14.097 flat angles P-C4'-P energy: -5.205 tors. eta vs tors. theta energy: -20.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -235.986833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.986833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.986833 (E_RNA) where: Base-Base interactions energy: -155.409 where: short stacking energy: -85.838 Base-Backbone interact. energy: -0.327 local terms energy: -80.250621 where: bonds (distance) C4'-P energy: -13.920 bonds (distance) P-C4' energy: -12.479 flat angles C4'-P-C4' energy: -15.169 flat angles P-C4'-P energy: -15.569 tors. eta vs tors. theta energy: -23.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -216.422385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.422385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.422385 (E_RNA) where: Base-Base interactions energy: -152.152 where: short stacking energy: -76.886 Base-Backbone interact. energy: -0.044 local terms energy: -64.227049 where: bonds (distance) C4'-P energy: -9.259 bonds (distance) P-C4' energy: -17.856 flat angles C4'-P-C4' energy: -15.664 flat angles P-C4'-P energy: -7.709 tors. eta vs tors. theta energy: -13.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -222.907996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.907996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.907996 (E_RNA) where: Base-Base interactions energy: -151.417 where: short stacking energy: -76.300 Base-Backbone interact. energy: -0.184 local terms energy: -71.306935 where: bonds (distance) C4'-P energy: -10.527 bonds (distance) P-C4' energy: -16.550 flat angles C4'-P-C4' energy: -17.854 flat angles P-C4'-P energy: -9.659 tors. eta vs tors. theta energy: -16.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -211.088955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.088955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.088955 (E_RNA) where: Base-Base interactions energy: -135.100 where: short stacking energy: -57.274 Base-Backbone interact. energy: 0.692 local terms energy: -76.681180 where: bonds (distance) C4'-P energy: -18.048 bonds (distance) P-C4' energy: -17.843 flat angles C4'-P-C4' energy: -15.051 flat angles P-C4'-P energy: -13.221 tors. eta vs tors. theta energy: -12.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -201.550507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.550507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.550507 (E_RNA) where: Base-Base interactions energy: -128.642 where: short stacking energy: -62.661 Base-Backbone interact. energy: -1.864 local terms energy: -71.044767 where: bonds (distance) C4'-P energy: -13.805 bonds (distance) P-C4' energy: -15.767 flat angles C4'-P-C4' energy: -18.202 flat angles P-C4'-P energy: -9.492 tors. eta vs tors. theta energy: -13.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -192.218259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.218259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.218259 (E_RNA) where: Base-Base interactions energy: -126.837 where: short stacking energy: -57.631 Base-Backbone interact. energy: 0.203 local terms energy: -65.584629 where: bonds (distance) C4'-P energy: -13.181 bonds (distance) P-C4' energy: -14.107 flat angles C4'-P-C4' energy: -14.054 flat angles P-C4'-P energy: -11.812 tors. eta vs tors. theta energy: -12.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -291.608268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.608268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.608268 (E_RNA) where: Base-Base interactions energy: -208.846 where: short stacking energy: -87.861 Base-Backbone interact. energy: 0.532 local terms energy: -83.293633 where: bonds (distance) C4'-P energy: -16.607 bonds (distance) P-C4' energy: -16.672 flat angles C4'-P-C4' energy: -18.188 flat angles P-C4'-P energy: -9.722 tors. eta vs tors. theta energy: -22.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -279.512265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.512265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.512265 (E_RNA) where: Base-Base interactions energy: -204.721 where: short stacking energy: -83.372 Base-Backbone interact. energy: -1.125 local terms energy: -73.665792 where: bonds (distance) C4'-P energy: -16.007 bonds (distance) P-C4' energy: -17.240 flat angles C4'-P-C4' energy: -9.916 flat angles P-C4'-P energy: -8.996 tors. eta vs tors. theta energy: -21.506 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: 8 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -268.114862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.114862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.114862 (E_RNA) where: Base-Base interactions energy: -189.438 where: short stacking energy: -82.220 Base-Backbone interact. energy: -0.837 local terms energy: -77.839813 where: bonds (distance) C4'-P energy: -15.607 bonds (distance) P-C4' energy: -15.255 flat angles C4'-P-C4' energy: -17.332 flat angles P-C4'-P energy: -8.990 tors. eta vs tors. theta energy: -20.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -271.538677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.538677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.538677 (E_RNA) where: Base-Base interactions energy: -194.806 where: short stacking energy: -75.884 Base-Backbone interact. energy: -2.203 local terms energy: -74.529075 where: bonds (distance) C4'-P energy: -13.949 bonds (distance) P-C4' energy: -13.327 flat angles C4'-P-C4' energy: -19.657 flat angles P-C4'-P energy: -6.481 tors. eta vs tors. theta energy: -21.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -252.462597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.462597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.462597 (E_RNA) where: Base-Base interactions energy: -169.071 where: short stacking energy: -94.009 Base-Backbone interact. energy: -0.014 local terms energy: -83.377847 where: bonds (distance) C4'-P energy: -16.715 bonds (distance) P-C4' energy: -17.910 flat angles C4'-P-C4' energy: -19.230 flat angles P-C4'-P energy: -5.112 tors. eta vs tors. theta energy: -24.411 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: 10 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -217.739476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.739476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.739476 (E_RNA) where: Base-Base interactions energy: -145.381 where: short stacking energy: -68.584 Base-Backbone interact. energy: -0.763 local terms energy: -71.595332 where: bonds (distance) C4'-P energy: -14.725 bonds (distance) P-C4' energy: -13.780 flat angles C4'-P-C4' energy: -20.644 flat angles P-C4'-P energy: -11.237 tors. eta vs tors. theta energy: -11.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -221.836641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.836641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.836641 (E_RNA) where: Base-Base interactions energy: -151.685 where: short stacking energy: -64.952 Base-Backbone interact. energy: -1.236 local terms energy: -68.915476 where: bonds (distance) C4'-P energy: -12.061 bonds (distance) P-C4' energy: -18.111 flat angles C4'-P-C4' energy: -15.953 flat angles P-C4'-P energy: -6.991 tors. eta vs tors. theta energy: -15.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -225.604695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.604695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.604695 (E_RNA) where: Base-Base interactions energy: -149.495 where: short stacking energy: -69.357 Base-Backbone interact. energy: -0.042 local terms energy: -76.067842 where: bonds (distance) C4'-P energy: -15.784 bonds (distance) P-C4' energy: -17.477 flat angles C4'-P-C4' energy: -17.098 flat angles P-C4'-P energy: -10.914 tors. eta vs tors. theta energy: -14.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -205.767537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.767537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.767537 (E_RNA) where: Base-Base interactions energy: -127.329 where: short stacking energy: -57.958 Base-Backbone interact. energy: -0.219 local terms energy: -78.219962 where: bonds (distance) C4'-P energy: -14.695 bonds (distance) P-C4' energy: -17.273 flat angles C4'-P-C4' energy: -17.308 flat angles P-C4'-P energy: -11.347 tors. eta vs tors. theta energy: -17.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -203.111941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.111941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.111941 (E_RNA) where: Base-Base interactions energy: -135.284 where: short stacking energy: -55.307 Base-Backbone interact. energy: -0.025 local terms energy: -67.802664 where: bonds (distance) C4'-P energy: -16.478 bonds (distance) P-C4' energy: -13.040 flat angles C4'-P-C4' energy: -18.014 flat angles P-C4'-P energy: -10.986 tors. eta vs tors. theta energy: -9.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -288.525116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.525116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.525116 (E_RNA) where: Base-Base interactions energy: -201.945 where: short stacking energy: -91.055 Base-Backbone interact. energy: -1.016 local terms energy: -85.563537 where: bonds (distance) C4'-P energy: -15.138 bonds (distance) P-C4' energy: -15.911 flat angles C4'-P-C4' energy: -18.706 flat angles P-C4'-P energy: -13.353 tors. eta vs tors. theta energy: -22.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -288.491276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.491276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.491276 (E_RNA) where: Base-Base interactions energy: -209.959 where: short stacking energy: -93.856 Base-Backbone interact. energy: -1.433 local terms energy: -77.099209 where: bonds (distance) C4'-P energy: -9.893 bonds (distance) P-C4' energy: -19.947 flat angles C4'-P-C4' energy: -17.321 flat angles P-C4'-P energy: -7.486 tors. eta vs tors. theta energy: -22.452 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: 8 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -267.152726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.152726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.152726 (E_RNA) where: Base-Base interactions energy: -182.434 where: short stacking energy: -87.261 Base-Backbone interact. energy: -1.584 local terms energy: -83.134880 where: bonds (distance) C4'-P energy: -18.090 bonds (distance) P-C4' energy: -19.368 flat angles C4'-P-C4' energy: -15.323 flat angles P-C4'-P energy: -9.412 tors. eta vs tors. theta energy: -20.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -288.100157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.100157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.100157 (E_RNA) where: Base-Base interactions energy: -204.540 where: short stacking energy: -97.553 Base-Backbone interact. energy: -1.061 local terms energy: -82.499295 where: bonds (distance) C4'-P energy: -16.897 bonds (distance) P-C4' energy: -16.045 flat angles C4'-P-C4' energy: -18.367 flat angles P-C4'-P energy: -9.196 tors. eta vs tors. theta energy: -21.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -234.639667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.639667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.639667 (E_RNA) where: Base-Base interactions energy: -162.021 where: short stacking energy: -72.394 Base-Backbone interact. energy: -0.662 local terms energy: -71.956654 where: bonds (distance) C4'-P energy: -16.372 bonds (distance) P-C4' energy: -16.572 flat angles C4'-P-C4' energy: -14.730 flat angles P-C4'-P energy: -7.901 tors. eta vs tors. theta energy: -16.381 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: 10 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -226.094297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.094297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.094297 (E_RNA) where: Base-Base interactions energy: -147.958 where: short stacking energy: -72.580 Base-Backbone interact. energy: 0.007 local terms energy: -78.142906 where: bonds (distance) C4'-P energy: -18.499 bonds (distance) P-C4' energy: -13.910 flat angles C4'-P-C4' energy: -16.342 flat angles P-C4'-P energy: -12.266 tors. eta vs tors. theta energy: -17.126 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: 7, replica: 2 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -218.771057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.771057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.771057 (E_RNA) where: Base-Base interactions energy: -141.337 where: short stacking energy: -67.586 Base-Backbone interact. energy: -0.512 local terms energy: -76.922480 where: bonds (distance) C4'-P energy: -15.822 bonds (distance) P-C4' energy: -17.122 flat angles C4'-P-C4' energy: -18.526 flat angles P-C4'-P energy: -8.280 tors. eta vs tors. theta energy: -17.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -205.705571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.705571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.705571 (E_RNA) where: Base-Base interactions energy: -141.069 where: short stacking energy: -65.843 Base-Backbone interact. energy: 5.070 local terms energy: -69.707368 where: bonds (distance) C4'-P energy: -15.535 bonds (distance) P-C4' energy: -13.924 flat angles C4'-P-C4' energy: -16.920 flat angles P-C4'-P energy: -9.143 tors. eta vs tors. theta energy: -14.185 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: 410 Temperature: 1.300000 Total energy: -210.608008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.608008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.608008 (E_RNA) where: Base-Base interactions energy: -135.776 where: short stacking energy: -62.227 Base-Backbone interact. energy: -0.244 local terms energy: -74.587776 where: bonds (distance) C4'-P energy: -16.387 bonds (distance) P-C4' energy: -15.987 flat angles C4'-P-C4' energy: -17.591 flat angles P-C4'-P energy: -9.741 tors. eta vs tors. theta energy: -14.882 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: 7 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -195.110771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.110771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.110771 (E_RNA) where: Base-Base interactions energy: -135.825 where: short stacking energy: -62.101 Base-Backbone interact. energy: -0.222 local terms energy: -59.064114 where: bonds (distance) C4'-P energy: -12.344 bonds (distance) P-C4' energy: -14.558 flat angles C4'-P-C4' energy: -16.046 flat angles P-C4'-P energy: -9.339 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: 1, replica: 3 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -296.749958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.749958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.749958 (E_RNA) where: Base-Base interactions energy: -205.428 where: short stacking energy: -92.573 Base-Backbone interact. energy: -0.256 local terms energy: -91.066277 where: bonds (distance) C4'-P energy: -18.690 bonds (distance) P-C4' energy: -21.113 flat angles C4'-P-C4' energy: -17.605 flat angles P-C4'-P energy: -11.631 tors. eta vs tors. theta energy: -22.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -275.530317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.530317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.530317 (E_RNA) where: Base-Base interactions energy: -200.046 where: short stacking energy: -92.875 Base-Backbone interact. energy: -0.252 local terms energy: -75.232174 where: bonds (distance) C4'-P energy: -15.812 bonds (distance) P-C4' energy: -15.733 flat angles C4'-P-C4' energy: -16.454 flat angles P-C4'-P energy: -4.873 tors. eta vs tors. theta energy: -22.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -273.997041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.997041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.997041 (E_RNA) where: Base-Base interactions energy: -200.044 where: short stacking energy: -81.957 Base-Backbone interact. energy: -0.301 local terms energy: -73.651795 where: bonds (distance) C4'-P energy: -17.122 bonds (distance) P-C4' energy: -17.064 flat angles C4'-P-C4' energy: -10.948 flat angles P-C4'-P energy: -13.145 tors. eta vs tors. theta energy: -15.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -237.576826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.576826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.576826 (E_RNA) where: Base-Base interactions energy: -165.563 where: short stacking energy: -75.103 Base-Backbone interact. energy: 0.154 local terms energy: -72.167703 where: bonds (distance) C4'-P energy: -15.776 bonds (distance) P-C4' energy: -13.598 flat angles C4'-P-C4' energy: -16.550 flat angles P-C4'-P energy: -10.457 tors. eta vs tors. theta energy: -15.787 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: 1 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -263.803037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.803037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.803037 (E_RNA) where: Base-Base interactions energy: -184.472 where: short stacking energy: -82.451 Base-Backbone interact. energy: -0.405 local terms energy: -78.925969 where: bonds (distance) C4'-P energy: -17.952 bonds (distance) P-C4' energy: -14.715 flat angles C4'-P-C4' energy: -16.492 flat angles P-C4'-P energy: -9.819 tors. eta vs tors. theta energy: -19.948 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: 10 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -227.993216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.993216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.993216 (E_RNA) where: Base-Base interactions energy: -150.076 where: short stacking energy: -76.029 Base-Backbone interact. energy: -0.031 local terms energy: -77.885618 where: bonds (distance) C4'-P energy: -17.026 bonds (distance) P-C4' energy: -16.387 flat angles C4'-P-C4' energy: -17.702 flat angles P-C4'-P energy: -8.544 tors. eta vs tors. theta energy: -18.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -219.626637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.626637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.626637 (E_RNA) where: Base-Base interactions energy: -147.869 where: short stacking energy: -72.158 Base-Backbone interact. energy: -0.021 local terms energy: -71.736952 where: bonds (distance) C4'-P energy: -11.743 bonds (distance) P-C4' energy: -18.030 flat angles C4'-P-C4' energy: -14.899 flat angles P-C4'-P energy: -8.379 tors. eta vs tors. theta energy: -18.686 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: 6 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -205.248541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.248541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.248541 (E_RNA) where: Base-Base interactions energy: -139.274 where: short stacking energy: -63.523 Base-Backbone interact. energy: -0.139 local terms energy: -65.835592 where: bonds (distance) C4'-P energy: -15.101 bonds (distance) P-C4' energy: -15.689 flat angles C4'-P-C4' energy: -12.470 flat angles P-C4'-P energy: -9.595 tors. eta vs tors. theta energy: -12.981 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: 5 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -199.737636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.737636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.737636 (E_RNA) where: Base-Base interactions energy: -120.799 where: short stacking energy: -57.670 Base-Backbone interact. energy: -0.095 local terms energy: -78.843394 where: bonds (distance) C4'-P energy: -17.262 bonds (distance) P-C4' energy: -16.089 flat angles C4'-P-C4' energy: -19.599 flat angles P-C4'-P energy: -10.777 tors. eta vs tors. theta energy: -15.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -202.009659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.009659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.009659 (E_RNA) where: Base-Base interactions energy: -135.288 where: short stacking energy: -60.384 Base-Backbone interact. energy: -0.489 local terms energy: -66.232449 where: bonds (distance) C4'-P energy: -14.352 bonds (distance) P-C4' energy: -13.371 flat angles C4'-P-C4' energy: -11.916 flat angles P-C4'-P energy: -11.295 tors. eta vs tors. theta energy: -15.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -288.540177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.540177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.540177 (E_RNA) where: Base-Base interactions energy: -197.239 where: short stacking energy: -88.245 Base-Backbone interact. energy: -1.254 local terms energy: -90.047233 where: bonds (distance) C4'-P energy: -18.738 bonds (distance) P-C4' energy: -18.330 flat angles C4'-P-C4' energy: -20.692 flat angles P-C4'-P energy: -11.252 tors. eta vs tors. theta energy: -21.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -291.160522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.160522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.160522 (E_RNA) where: Base-Base interactions energy: -204.008 where: short stacking energy: -95.748 Base-Backbone interact. energy: -0.909 local terms energy: -86.243421 where: bonds (distance) C4'-P energy: -18.773 bonds (distance) P-C4' energy: -14.608 flat angles C4'-P-C4' energy: -18.156 flat angles P-C4'-P energy: -11.178 tors. eta vs tors. theta energy: -23.529 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: 3, replica: 9 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -284.688566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.688566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.688566 (E_RNA) where: Base-Base interactions energy: -199.634 where: short stacking energy: -88.663 Base-Backbone interact. energy: -0.810 local terms energy: -84.244642 where: bonds (distance) C4'-P energy: -18.110 bonds (distance) P-C4' energy: -15.467 flat angles C4'-P-C4' energy: -19.874 flat angles P-C4'-P energy: -9.588 tors. eta vs tors. theta energy: -21.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -233.192922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.192922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.192922 (E_RNA) where: Base-Base interactions energy: -153.098 where: short stacking energy: -77.392 Base-Backbone interact. energy: -0.165 local terms energy: -79.930515 where: bonds (distance) C4'-P energy: -15.957 bonds (distance) P-C4' energy: -16.471 flat angles C4'-P-C4' energy: -17.118 flat angles P-C4'-P energy: -12.817 tors. eta vs tors. theta energy: -17.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -263.371432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.371432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.371432 (E_RNA) where: Base-Base interactions energy: -185.430 where: short stacking energy: -80.591 Base-Backbone interact. energy: -1.838 local terms energy: -76.104238 where: bonds (distance) C4'-P energy: -9.209 bonds (distance) P-C4' energy: -18.070 flat angles C4'-P-C4' energy: -15.367 flat angles P-C4'-P energy: -13.753 tors. eta vs tors. theta energy: -19.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -244.273603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.273603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.273603 (E_RNA) where: Base-Base interactions energy: -165.913 where: short stacking energy: -89.616 Base-Backbone interact. energy: -0.002 local terms energy: -78.358325 where: bonds (distance) C4'-P energy: -16.678 bonds (distance) P-C4' energy: -13.790 flat angles C4'-P-C4' energy: -16.495 flat angles P-C4'-P energy: -6.890 tors. eta vs tors. theta energy: -24.505 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: 6 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -216.491713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.491713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.491713 (E_RNA) where: Base-Base interactions energy: -146.997 where: short stacking energy: -67.062 Base-Backbone interact. energy: 0.227 local terms energy: -69.721718 where: bonds (distance) C4'-P energy: -9.765 bonds (distance) P-C4' energy: -18.639 flat angles C4'-P-C4' energy: -15.463 flat angles P-C4'-P energy: -10.303 tors. eta vs tors. theta energy: -15.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -209.995446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.995446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.995446 (E_RNA) where: Base-Base interactions energy: -133.357 where: short stacking energy: -64.561 Base-Backbone interact. energy: -1.991 local terms energy: -74.646765 where: bonds (distance) C4'-P energy: -17.158 bonds (distance) P-C4' energy: -13.808 flat angles C4'-P-C4' energy: -16.069 flat angles P-C4'-P energy: -13.033 tors. eta vs tors. theta energy: -14.579 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: 7 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -215.794117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.794117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.794117 (E_RNA) where: Base-Base interactions energy: -144.223 where: short stacking energy: -64.953 Base-Backbone interact. energy: -0.069 local terms energy: -71.502481 where: bonds (distance) C4'-P energy: -13.259 bonds (distance) P-C4' energy: -19.028 flat angles C4'-P-C4' energy: -16.256 flat angles P-C4'-P energy: -8.477 tors. eta vs tors. theta energy: -14.483 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: 5 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -182.381412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.381412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.381412 (E_RNA) where: Base-Base interactions energy: -113.200 where: short stacking energy: -52.335 Base-Backbone interact. energy: -0.922 local terms energy: -68.260344 where: bonds (distance) C4'-P energy: -12.219 bonds (distance) P-C4' energy: -20.064 flat angles C4'-P-C4' energy: -16.698 flat angles P-C4'-P energy: -10.874 tors. eta vs tors. theta energy: -8.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -283.020940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.020940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.020940 (E_RNA) where: Base-Base interactions energy: -195.942 where: short stacking energy: -91.821 Base-Backbone interact. energy: -0.473 local terms energy: -86.606503 where: bonds (distance) C4'-P energy: -15.319 bonds (distance) P-C4' energy: -18.538 flat angles C4'-P-C4' energy: -20.107 flat angles P-C4'-P energy: -8.899 tors. eta vs tors. theta energy: -23.743 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: 9 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -289.126234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.126234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.126234 (E_RNA) where: Base-Base interactions energy: -206.727 where: short stacking energy: -94.173 Base-Backbone interact. energy: -1.566 local terms energy: -80.833811 where: bonds (distance) C4'-P energy: -15.027 bonds (distance) P-C4' energy: -14.694 flat angles C4'-P-C4' energy: -17.990 flat angles P-C4'-P energy: -9.081 tors. eta vs tors. theta energy: -24.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -265.509362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.509362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.509362 (E_RNA) where: Base-Base interactions energy: -190.741 where: short stacking energy: -77.245 Base-Backbone interact. energy: 0.096 local terms energy: -74.864193 where: bonds (distance) C4'-P energy: -14.470 bonds (distance) P-C4' energy: -15.787 flat angles C4'-P-C4' energy: -15.364 flat angles P-C4'-P energy: -9.190 tors. eta vs tors. theta energy: -20.053 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: 1 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -259.522561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.522561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.522561 (E_RNA) where: Base-Base interactions energy: -185.502 where: short stacking energy: -79.286 Base-Backbone interact. energy: 0.653 local terms energy: -74.673879 where: bonds (distance) C4'-P energy: -16.235 bonds (distance) P-C4' energy: -17.322 flat angles C4'-P-C4' energy: -15.191 flat angles P-C4'-P energy: -8.713 tors. eta vs tors. theta energy: -17.212 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: 5, replica: 4 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -234.564581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.564581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.564581 (E_RNA) where: Base-Base interactions energy: -157.760 where: short stacking energy: -76.974 Base-Backbone interact. energy: -0.151 local terms energy: -76.653727 where: bonds (distance) C4'-P energy: -12.401 bonds (distance) P-C4' energy: -14.404 flat angles C4'-P-C4' energy: -15.923 flat angles P-C4'-P energy: -14.161 tors. eta vs tors. theta energy: -19.765 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: 6 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -239.930287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.930287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.930287 (E_RNA) where: Base-Base interactions energy: -165.665 where: short stacking energy: -71.799 Base-Backbone interact. energy: -0.010 local terms energy: -74.255051 where: bonds (distance) C4'-P energy: -14.566 bonds (distance) P-C4' energy: -18.436 flat angles C4'-P-C4' energy: -14.698 flat angles P-C4'-P energy: -8.095 tors. eta vs tors. theta energy: -18.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -215.970583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.970583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.970583 (E_RNA) where: Base-Base interactions energy: -145.469 where: short stacking energy: -69.616 Base-Backbone interact. energy: 1.159 local terms energy: -71.660863 where: bonds (distance) C4'-P energy: -12.248 bonds (distance) P-C4' energy: -16.829 flat angles C4'-P-C4' energy: -18.336 flat angles P-C4'-P energy: -6.594 tors. eta vs tors. theta energy: -17.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -206.879195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.879195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.879195 (E_RNA) where: Base-Base interactions energy: -132.644 where: short stacking energy: -62.321 Base-Backbone interact. energy: -0.166 local terms energy: -74.069206 where: bonds (distance) C4'-P energy: -18.537 bonds (distance) P-C4' energy: -17.188 flat angles C4'-P-C4' energy: -16.846 flat angles P-C4'-P energy: -8.098 tors. eta vs tors. theta energy: -13.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -213.823759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.823759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.823759 (E_RNA) where: Base-Base interactions energy: -146.377 where: short stacking energy: -66.735 Base-Backbone interact. energy: -0.649 local terms energy: -66.798003 where: bonds (distance) C4'-P energy: -13.901 bonds (distance) P-C4' energy: -18.815 flat angles C4'-P-C4' energy: -11.460 flat angles P-C4'-P energy: -8.706 tors. eta vs tors. theta energy: -13.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -202.786156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.786156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.786156 (E_RNA) where: Base-Base interactions energy: -138.753 where: short stacking energy: -64.035 Base-Backbone interact. energy: -0.039 local terms energy: -63.993993 where: bonds (distance) C4'-P energy: -14.409 bonds (distance) P-C4' energy: -16.205 flat angles C4'-P-C4' energy: -13.289 flat angles P-C4'-P energy: -7.603 tors. eta vs tors. theta energy: -12.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -305.503715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.503715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.503715 (E_RNA) where: Base-Base interactions energy: -215.509 where: short stacking energy: -92.742 Base-Backbone interact. energy: -2.388 local terms energy: -87.606352 where: bonds (distance) C4'-P energy: -17.920 bonds (distance) P-C4' energy: -14.627 flat angles C4'-P-C4' energy: -18.665 flat angles P-C4'-P energy: -13.523 tors. eta vs tors. theta energy: -22.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -286.605610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.605610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.605610 (E_RNA) where: Base-Base interactions energy: -199.591 where: short stacking energy: -94.354 Base-Backbone interact. energy: -0.064 local terms energy: -86.950336 where: bonds (distance) C4'-P energy: -16.380 bonds (distance) P-C4' energy: -19.526 flat angles C4'-P-C4' energy: -17.846 flat angles P-C4'-P energy: -11.540 tors. eta vs tors. theta energy: -21.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -274.315868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.315868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.315868 (E_RNA) where: Base-Base interactions energy: -194.757 where: short stacking energy: -79.058 Base-Backbone interact. energy: -1.629 local terms energy: -77.930087 where: bonds (distance) C4'-P energy: -12.881 bonds (distance) P-C4' energy: -17.945 flat angles C4'-P-C4' energy: -19.601 flat angles P-C4'-P energy: -6.888 tors. eta vs tors. theta energy: -20.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -242.510537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.510537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.510537 (E_RNA) where: Base-Base interactions energy: -165.497 where: short stacking energy: -83.955 Base-Backbone interact. energy: -1.735 local terms energy: -75.278831 where: bonds (distance) C4'-P energy: -19.460 bonds (distance) P-C4' energy: -13.727 flat angles C4'-P-C4' energy: -14.701 flat angles P-C4'-P energy: -6.962 tors. eta vs tors. theta energy: -20.430 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: 6 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -225.485427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.485427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.485427 (E_RNA) where: Base-Base interactions energy: -149.320 where: short stacking energy: -77.014 Base-Backbone interact. energy: 0.611 local terms energy: -76.776317 where: bonds (distance) C4'-P energy: -16.788 bonds (distance) P-C4' energy: -13.232 flat angles C4'-P-C4' energy: -18.049 flat angles P-C4'-P energy: -11.321 tors. eta vs tors. theta energy: -17.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -221.869896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.869896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.869896 (E_RNA) where: Base-Base interactions energy: -148.538 where: short stacking energy: -75.286 Base-Backbone interact. energy: -0.176 local terms energy: -73.156446 where: bonds (distance) C4'-P energy: -17.689 bonds (distance) P-C4' energy: -17.709 flat angles C4'-P-C4' energy: -14.479 flat angles P-C4'-P energy: -6.765 tors. eta vs tors. theta energy: -16.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -220.911226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.911226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.911226 (E_RNA) where: Base-Base interactions energy: -152.843 where: short stacking energy: -74.889 Base-Backbone interact. energy: -0.770 local terms energy: -67.297945 where: bonds (distance) C4'-P energy: -11.260 bonds (distance) P-C4' energy: -16.213 flat angles C4'-P-C4' energy: -16.607 flat angles P-C4'-P energy: -5.431 tors. eta vs tors. theta energy: -17.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -214.688006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.688006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.688006 (E_RNA) where: Base-Base interactions energy: -154.119 where: short stacking energy: -77.443 Base-Backbone interact. energy: -0.309 local terms energy: -60.259933 where: bonds (distance) C4'-P energy: -13.667 bonds (distance) P-C4' energy: -15.194 flat angles C4'-P-C4' energy: -14.203 flat angles P-C4'-P energy: -3.940 tors. eta vs tors. theta energy: -13.257 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: 5 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -193.640682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.640682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.640682 (E_RNA) where: Base-Base interactions energy: -134.005 where: short stacking energy: -61.953 Base-Backbone interact. energy: -0.041 local terms energy: -59.594343 where: bonds (distance) C4'-P energy: -9.135 bonds (distance) P-C4' energy: -19.289 flat angles C4'-P-C4' energy: -13.208 flat angles P-C4'-P energy: -5.974 tors. eta vs tors. theta energy: -11.989 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: 10, replica: 2 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -198.252664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.252664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.252664 (E_RNA) where: Base-Base interactions energy: -139.463 where: short stacking energy: -63.879 Base-Backbone interact. energy: -0.899 local terms energy: -57.891254 where: bonds (distance) C4'-P energy: -11.333 bonds (distance) P-C4' energy: -12.041 flat angles C4'-P-C4' energy: -14.496 flat angles P-C4'-P energy: -6.305 tors. eta vs tors. theta energy: -13.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -290.979934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.979934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.979934 (E_RNA) where: Base-Base interactions energy: -203.311 where: short stacking energy: -92.458 Base-Backbone interact. energy: -1.289 local terms energy: -86.379305 where: bonds (distance) C4'-P energy: -15.896 bonds (distance) P-C4' energy: -20.163 flat angles C4'-P-C4' energy: -17.697 flat angles P-C4'-P energy: -8.596 tors. eta vs tors. theta energy: -24.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -287.192971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.192971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.192971 (E_RNA) where: Base-Base interactions energy: -209.162 where: short stacking energy: -96.128 Base-Backbone interact. energy: -1.916 local terms energy: -76.115193 where: bonds (distance) C4'-P energy: -17.899 bonds (distance) P-C4' energy: -10.665 flat angles C4'-P-C4' energy: -16.558 flat angles P-C4'-P energy: -10.221 tors. eta vs tors. theta energy: -20.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -284.455423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.455423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.455423 (E_RNA) where: Base-Base interactions energy: -204.444 where: short stacking energy: -89.567 Base-Backbone interact. energy: -1.241 local terms energy: -78.769620 where: bonds (distance) C4'-P energy: -14.562 bonds (distance) P-C4' energy: -15.216 flat angles C4'-P-C4' energy: -17.626 flat angles P-C4'-P energy: -9.197 tors. eta vs tors. theta energy: -22.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -250.402513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.402513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.402513 (E_RNA) where: Base-Base interactions energy: -174.155 where: short stacking energy: -89.808 Base-Backbone interact. energy: -0.012 local terms energy: -76.235622 where: bonds (distance) C4'-P energy: -14.791 bonds (distance) P-C4' energy: -14.036 flat angles C4'-P-C4' energy: -16.473 flat angles P-C4'-P energy: -9.847 tors. eta vs tors. theta energy: -21.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -224.121008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.121008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.121008 (E_RNA) where: Base-Base interactions energy: -146.599 where: short stacking energy: -69.373 Base-Backbone interact. energy: -0.155 local terms energy: -77.366935 where: bonds (distance) C4'-P energy: -19.079 bonds (distance) P-C4' energy: -16.812 flat angles C4'-P-C4' energy: -15.284 flat angles P-C4'-P energy: -11.000 tors. eta vs tors. theta energy: -15.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -212.086083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.086083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.086083 (E_RNA) where: Base-Base interactions energy: -142.198 where: short stacking energy: -72.839 Base-Backbone interact. energy: -0.780 local terms energy: -69.107936 where: bonds (distance) C4'-P energy: -14.356 bonds (distance) P-C4' energy: -11.847 flat angles C4'-P-C4' energy: -14.466 flat angles P-C4'-P energy: -11.362 tors. eta vs tors. theta energy: -17.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -230.271605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.271605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.271605 (E_RNA) where: Base-Base interactions energy: -154.363 where: short stacking energy: -75.175 Base-Backbone interact. energy: -0.530 local terms energy: -75.379394 where: bonds (distance) C4'-P energy: -13.826 bonds (distance) P-C4' energy: -16.562 flat angles C4'-P-C4' energy: -14.418 flat angles P-C4'-P energy: -10.825 tors. eta vs tors. theta energy: -19.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -201.102647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.102647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.102647 (E_RNA) where: Base-Base interactions energy: -136.702 where: short stacking energy: -58.765 Base-Backbone interact. energy: -0.331 local terms energy: -64.068960 where: bonds (distance) C4'-P energy: -9.569 bonds (distance) P-C4' energy: -16.365 flat angles C4'-P-C4' energy: -16.245 flat angles P-C4'-P energy: -10.487 tors. eta vs tors. theta energy: -11.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -211.765204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.765204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.765204 (E_RNA) where: Base-Base interactions energy: -147.024 where: short stacking energy: -66.390 Base-Backbone interact. energy: -0.103 local terms energy: -64.637884 where: bonds (distance) C4'-P energy: -13.800 bonds (distance) P-C4' energy: -11.274 flat angles C4'-P-C4' energy: -13.866 flat angles P-C4'-P energy: -6.867 tors. eta vs tors. theta energy: -18.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -201.076632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.076632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.076632 (E_RNA) where: Base-Base interactions energy: -139.000 where: short stacking energy: -57.905 Base-Backbone interact. energy: -0.276 local terms energy: -61.800790 where: bonds (distance) C4'-P energy: -12.873 bonds (distance) P-C4' energy: -13.706 flat angles C4'-P-C4' energy: -14.192 flat angles P-C4'-P energy: -7.515 tors. eta vs tors. theta energy: -13.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -290.210800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.210800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.210800 (E_RNA) where: Base-Base interactions energy: -199.296 where: short stacking energy: -85.441 Base-Backbone interact. energy: -0.369 local terms energy: -90.546190 where: bonds (distance) C4'-P energy: -18.556 bonds (distance) P-C4' energy: -19.001 flat angles C4'-P-C4' energy: -18.380 flat angles P-C4'-P energy: -13.402 tors. eta vs tors. theta energy: -21.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -293.830595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.830595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.830595 (E_RNA) where: Base-Base interactions energy: -204.229 where: short stacking energy: -91.232 Base-Backbone interact. energy: -1.389 local terms energy: -88.213365 where: bonds (distance) C4'-P energy: -21.294 bonds (distance) P-C4' energy: -16.076 flat angles C4'-P-C4' energy: -17.115 flat angles P-C4'-P energy: -9.993 tors. eta vs tors. theta energy: -23.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -254.842543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.842543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.842543 (E_RNA) where: Base-Base interactions energy: -177.080 where: short stacking energy: -87.507 Base-Backbone interact. energy: -0.017 local terms energy: -77.746039 where: bonds (distance) C4'-P energy: -13.614 bonds (distance) P-C4' energy: -14.051 flat angles C4'-P-C4' energy: -19.483 flat angles P-C4'-P energy: -8.850 tors. eta vs tors. theta energy: -21.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -271.221044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.221044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.221044 (E_RNA) where: Base-Base interactions energy: -188.612 where: short stacking energy: -84.816 Base-Backbone interact. energy: 0.503 local terms energy: -83.111781 where: bonds (distance) C4'-P energy: -18.247 bonds (distance) P-C4' energy: -18.749 flat angles C4'-P-C4' energy: -15.561 flat angles P-C4'-P energy: -10.301 tors. eta vs tors. theta energy: -20.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -237.987447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.987447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.987447 (E_RNA) where: Base-Base interactions energy: -158.241 where: short stacking energy: -76.902 Base-Backbone interact. energy: 0.226 local terms energy: -79.972246 where: bonds (distance) C4'-P energy: -12.607 bonds (distance) P-C4' energy: -19.964 flat angles C4'-P-C4' energy: -18.075 flat angles P-C4'-P energy: -10.091 tors. eta vs tors. theta energy: -19.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -214.802338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.802338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.802338 (E_RNA) where: Base-Base interactions energy: -145.685 where: short stacking energy: -79.625 Base-Backbone interact. energy: -0.088 local terms energy: -69.029452 where: bonds (distance) C4'-P energy: -18.483 bonds (distance) P-C4' energy: -16.334 flat angles C4'-P-C4' energy: -12.973 flat angles P-C4'-P energy: -6.846 tors. eta vs tors. theta energy: -14.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -226.535635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.535635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.535635 (E_RNA) where: Base-Base interactions energy: -153.753 where: short stacking energy: -75.842 Base-Backbone interact. energy: -0.283 local terms energy: -72.500169 where: bonds (distance) C4'-P energy: -13.480 bonds (distance) P-C4' energy: -13.264 flat angles C4'-P-C4' energy: -18.809 flat angles P-C4'-P energy: -10.006 tors. eta vs tors. theta energy: -16.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -213.869879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.869879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.869879 (E_RNA) where: Base-Base interactions energy: -138.299 where: short stacking energy: -72.494 Base-Backbone interact. energy: -0.320 local terms energy: -75.251792 where: bonds (distance) C4'-P energy: -18.743 bonds (distance) P-C4' energy: -16.013 flat angles C4'-P-C4' energy: -18.313 flat angles P-C4'-P energy: -5.560 tors. eta vs tors. theta energy: -16.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -184.624788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.624788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.624788 (E_RNA) where: Base-Base interactions energy: -128.475 where: short stacking energy: -58.175 Base-Backbone interact. energy: 0.823 local terms energy: -56.972937 where: bonds (distance) C4'-P energy: -9.585 bonds (distance) P-C4' energy: -13.603 flat angles C4'-P-C4' energy: -14.082 flat angles P-C4'-P energy: -12.557 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: 10, replica: 7 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -194.122070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.122070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.122070 (E_RNA) where: Base-Base interactions energy: -136.169 where: short stacking energy: -59.156 Base-Backbone interact. energy: -0.481 local terms energy: -57.472417 where: bonds (distance) C4'-P energy: -11.317 bonds (distance) P-C4' energy: -16.579 flat angles C4'-P-C4' energy: -14.113 flat angles P-C4'-P energy: -5.236 tors. eta vs tors. theta energy: -10.228 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: 9 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -285.252474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.252474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.252474 (E_RNA) where: Base-Base interactions energy: -201.469 where: short stacking energy: -87.079 Base-Backbone interact. energy: -1.337 local terms energy: -82.446925 where: bonds (distance) C4'-P energy: -14.985 bonds (distance) P-C4' energy: -17.424 flat angles C4'-P-C4' energy: -18.757 flat angles P-C4'-P energy: -10.752 tors. eta vs tors. theta energy: -20.529 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: 1 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -290.617948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.617948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.617948 (E_RNA) where: Base-Base interactions energy: -207.204 where: short stacking energy: -93.536 Base-Backbone interact. energy: -0.796 local terms energy: -82.617472 where: bonds (distance) C4'-P energy: -14.067 bonds (distance) P-C4' energy: -18.798 flat angles C4'-P-C4' energy: -17.661 flat angles P-C4'-P energy: -9.073 tors. eta vs tors. theta energy: -23.018 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: 3 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -253.537342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.537342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.537342 (E_RNA) where: Base-Base interactions energy: -164.553 where: short stacking energy: -85.032 Base-Backbone interact. energy: -0.100 local terms energy: -88.883903 where: bonds (distance) C4'-P energy: -18.962 bonds (distance) P-C4' energy: -16.485 flat angles C4'-P-C4' energy: -17.908 flat angles P-C4'-P energy: -12.402 tors. eta vs tors. theta energy: -23.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -270.544748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.544748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.544748 (E_RNA) where: Base-Base interactions energy: -187.073 where: short stacking energy: -90.643 Base-Backbone interact. energy: -0.344 local terms energy: -83.127273 where: bonds (distance) C4'-P energy: -19.086 bonds (distance) P-C4' energy: -20.158 flat angles C4'-P-C4' energy: -16.742 flat angles P-C4'-P energy: -6.431 tors. eta vs tors. theta energy: -20.709 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: 6 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -229.465087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.465087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.465087 (E_RNA) where: Base-Base interactions energy: -154.710 where: short stacking energy: -78.995 Base-Backbone interact. energy: -0.008 local terms energy: -74.747355 where: bonds (distance) C4'-P energy: -16.864 bonds (distance) P-C4' energy: -12.623 flat angles C4'-P-C4' energy: -18.816 flat angles P-C4'-P energy: -5.154 tors. eta vs tors. theta energy: -21.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -228.492150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.492150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.492150 (E_RNA) where: Base-Base interactions energy: -158.693 where: short stacking energy: -77.682 Base-Backbone interact. energy: -0.938 local terms energy: -68.861264 where: bonds (distance) C4'-P energy: -10.634 bonds (distance) P-C4' energy: -14.129 flat angles C4'-P-C4' energy: -18.701 flat angles P-C4'-P energy: -9.331 tors. eta vs tors. theta energy: -16.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -220.035138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.035138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.035138 (E_RNA) where: Base-Base interactions energy: -148.667 where: short stacking energy: -61.329 Base-Backbone interact. energy: 0.620 local terms energy: -71.987586 where: bonds (distance) C4'-P energy: -17.046 bonds (distance) P-C4' energy: -15.102 flat angles C4'-P-C4' energy: -15.376 flat angles P-C4'-P energy: -9.222 tors. eta vs tors. theta energy: -15.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -211.298143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.298143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.298143 (E_RNA) where: Base-Base interactions energy: -144.548 where: short stacking energy: -61.909 Base-Backbone interact. energy: -0.455 local terms energy: -66.295124 where: bonds (distance) C4'-P energy: -13.744 bonds (distance) P-C4' energy: -10.632 flat angles C4'-P-C4' energy: -16.360 flat angles P-C4'-P energy: -4.899 tors. eta vs tors. theta energy: -20.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -208.511979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.511979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.511979 (E_RNA) where: Base-Base interactions energy: -148.165 where: short stacking energy: -69.368 Base-Backbone interact. energy: 3.599 local terms energy: -63.945838 where: bonds (distance) C4'-P energy: -8.039 bonds (distance) P-C4' energy: -16.989 flat angles C4'-P-C4' energy: -12.570 flat angles P-C4'-P energy: -10.268 tors. eta vs tors. theta energy: -16.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -198.813147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.813147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.813147 (E_RNA) where: Base-Base interactions energy: -135.488 where: short stacking energy: -58.533 Base-Backbone interact. energy: -0.042 local terms energy: -63.283591 where: bonds (distance) C4'-P energy: -14.282 bonds (distance) P-C4' energy: -14.583 flat angles C4'-P-C4' energy: -18.285 flat angles P-C4'-P energy: -6.313 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: 1, replica: 1 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -294.124752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.124752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.124752 (E_RNA) where: Base-Base interactions energy: -213.103 where: short stacking energy: -92.960 Base-Backbone interact. energy: -2.104 local terms energy: -78.917547 where: bonds (distance) C4'-P energy: -14.707 bonds (distance) P-C4' energy: -16.004 flat angles C4'-P-C4' energy: -17.549 flat angles P-C4'-P energy: -8.872 tors. eta vs tors. theta energy: -21.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -284.561248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.561248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.561248 (E_RNA) where: Base-Base interactions energy: -201.334 where: short stacking energy: -80.799 Base-Backbone interact. energy: -1.376 local terms energy: -81.850994 where: bonds (distance) C4'-P energy: -16.778 bonds (distance) P-C4' energy: -20.356 flat angles C4'-P-C4' energy: -17.027 flat angles P-C4'-P energy: -9.649 tors. eta vs tors. theta energy: -18.040 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: 3, replica: 8 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -289.216397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.216397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.216397 (E_RNA) where: Base-Base interactions energy: -209.594 where: short stacking energy: -92.839 Base-Backbone interact. energy: -0.740 local terms energy: -78.883274 where: bonds (distance) C4'-P energy: -16.856 bonds (distance) P-C4' energy: -12.768 flat angles C4'-P-C4' energy: -15.157 flat angles P-C4'-P energy: -10.481 tors. eta vs tors. theta energy: -23.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -252.735151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.735151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.735151 (E_RNA) where: Base-Base interactions energy: -173.091 where: short stacking energy: -88.787 Base-Backbone interact. energy: -0.000 local terms energy: -79.643931 where: bonds (distance) C4'-P energy: -16.431 bonds (distance) P-C4' energy: -15.800 flat angles C4'-P-C4' energy: -17.040 flat angles P-C4'-P energy: -7.437 tors. eta vs tors. theta energy: -22.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -246.453598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.453598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.453598 (E_RNA) where: Base-Base interactions energy: -166.848 where: short stacking energy: -90.104 Base-Backbone interact. energy: -0.307 local terms energy: -79.298471 where: bonds (distance) C4'-P energy: -17.461 bonds (distance) P-C4' energy: -14.055 flat angles C4'-P-C4' energy: -16.581 flat angles P-C4'-P energy: -8.381 tors. eta vs tors. theta energy: -22.821 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: 6 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -227.950804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.950804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.950804 (E_RNA) where: Base-Base interactions energy: -154.363 where: short stacking energy: -75.344 Base-Backbone interact. energy: -0.322 local terms energy: -73.266138 where: bonds (distance) C4'-P energy: -17.103 bonds (distance) P-C4' energy: -17.297 flat angles C4'-P-C4' energy: -11.931 flat angles P-C4'-P energy: -8.541 tors. eta vs tors. theta energy: -18.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -219.659913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.659913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.659913 (E_RNA) where: Base-Base interactions energy: -141.177 where: short stacking energy: -64.446 Base-Backbone interact. energy: -0.488 local terms energy: -77.995264 where: bonds (distance) C4'-P energy: -15.030 bonds (distance) P-C4' energy: -19.027 flat angles C4'-P-C4' energy: -16.854 flat angles P-C4'-P energy: -9.486 tors. eta vs tors. theta energy: -17.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -200.431714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.431714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.431714 (E_RNA) where: Base-Base interactions energy: -143.361 where: short stacking energy: -65.496 Base-Backbone interact. energy: -0.209 local terms energy: -56.862090 where: bonds (distance) C4'-P energy: -16.913 bonds (distance) P-C4' energy: -16.900 flat angles C4'-P-C4' energy: -17.351 flat angles P-C4'-P energy: 4.507 tors. eta vs tors. theta energy: -10.206 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: 7 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -200.535333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.535333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.535333 (E_RNA) where: Base-Base interactions energy: -130.342 where: short stacking energy: -68.221 Base-Backbone interact. energy: -1.506 local terms energy: -68.687108 where: bonds (distance) C4'-P energy: -16.752 bonds (distance) P-C4' energy: -11.364 flat angles C4'-P-C4' energy: -17.619 flat angles P-C4'-P energy: -10.040 tors. eta vs tors. theta energy: -12.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -195.602607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.602607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.602607 (E_RNA) where: Base-Base interactions energy: -134.602 where: short stacking energy: -56.492 Base-Backbone interact. energy: -0.017 local terms energy: -60.984056 where: bonds (distance) C4'-P energy: -12.247 bonds (distance) P-C4' energy: -13.398 flat angles C4'-P-C4' energy: -12.975 flat angles P-C4'-P energy: -7.761 tors. eta vs tors. theta energy: -14.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -293.441558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.441558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.441558 (E_RNA) where: Base-Base interactions energy: -211.411 where: short stacking energy: -92.153 Base-Backbone interact. energy: -0.898 local terms energy: -81.132387 where: bonds (distance) C4'-P energy: -14.840 bonds (distance) P-C4' energy: -17.878 flat angles C4'-P-C4' energy: -17.353 flat angles P-C4'-P energy: -8.025 tors. eta vs tors. theta energy: -23.037 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: 2, replica: 9 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -291.303879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.303879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.303879 (E_RNA) where: Base-Base interactions energy: -199.601 where: short stacking energy: -85.699 Base-Backbone interact. energy: -0.914 local terms energy: -90.789166 where: bonds (distance) C4'-P energy: -19.029 bonds (distance) P-C4' energy: -17.763 flat angles C4'-P-C4' energy: -19.608 flat angles P-C4'-P energy: -11.005 tors. eta vs tors. theta energy: -23.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -281.573796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.573796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.573796 (E_RNA) where: Base-Base interactions energy: -198.309 where: short stacking energy: -89.827 Base-Backbone interact. energy: -0.806 local terms energy: -82.459572 where: bonds (distance) C4'-P energy: -16.528 bonds (distance) P-C4' energy: -16.525 flat angles C4'-P-C4' energy: -18.388 flat angles P-C4'-P energy: -11.138 tors. eta vs tors. theta energy: -19.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -255.619081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.619081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.619081 (E_RNA) where: Base-Base interactions energy: -169.801 where: short stacking energy: -82.944 Base-Backbone interact. energy: -2.091 local terms energy: -83.727417 where: bonds (distance) C4'-P energy: -15.750 bonds (distance) P-C4' energy: -15.950 flat angles C4'-P-C4' energy: -18.069 flat angles P-C4'-P energy: -11.625 tors. eta vs tors. theta energy: -22.333 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: 4 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -235.728974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.728974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.728974 (E_RNA) where: Base-Base interactions energy: -163.060 where: short stacking energy: -73.121 Base-Backbone interact. energy: -1.264 local terms energy: -71.404449 where: bonds (distance) C4'-P energy: -12.034 bonds (distance) P-C4' energy: -13.490 flat angles C4'-P-C4' energy: -15.637 flat angles P-C4'-P energy: -12.685 tors. eta vs tors. theta energy: -17.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -221.916846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.916846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.916846 (E_RNA) where: Base-Base interactions energy: -153.017 where: short stacking energy: -60.693 Base-Backbone interact. energy: -0.900 local terms energy: -68.000443 where: bonds (distance) C4'-P energy: -15.091 bonds (distance) P-C4' energy: -16.784 flat angles C4'-P-C4' energy: -17.738 flat angles P-C4'-P energy: -6.645 tors. eta vs tors. theta energy: -11.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -218.134192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.134192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.134192 (E_RNA) where: Base-Base interactions energy: -151.573 where: short stacking energy: -73.032 Base-Backbone interact. energy: -0.283 local terms energy: -66.278947 where: bonds (distance) C4'-P energy: -13.979 bonds (distance) P-C4' energy: -16.002 flat angles C4'-P-C4' energy: -13.883 flat angles P-C4'-P energy: -6.763 tors. eta vs tors. theta energy: -15.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -220.686599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.686599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.686599 (E_RNA) where: Base-Base interactions energy: -149.135 where: short stacking energy: -70.126 Base-Backbone interact. energy: -0.301 local terms energy: -71.250265 where: bonds (distance) C4'-P energy: -12.877 bonds (distance) P-C4' energy: -14.161 flat angles C4'-P-C4' energy: -14.855 flat angles P-C4'-P energy: -12.363 tors. eta vs tors. theta energy: -16.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -213.005708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.005708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.005708 (E_RNA) where: Base-Base interactions energy: -140.713 where: short stacking energy: -65.333 Base-Backbone interact. energy: -0.245 local terms energy: -72.048461 where: bonds (distance) C4'-P energy: -14.895 bonds (distance) P-C4' energy: -17.125 flat angles C4'-P-C4' energy: -17.025 flat angles P-C4'-P energy: -9.931 tors. eta vs tors. theta energy: -13.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -202.940535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.940535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.940535 (E_RNA) where: Base-Base interactions energy: -137.506 where: short stacking energy: -68.947 Base-Backbone interact. energy: -0.738 local terms energy: -64.696499 where: bonds (distance) C4'-P energy: -19.415 bonds (distance) P-C4' energy: -12.818 flat angles C4'-P-C4' energy: -13.111 flat angles P-C4'-P energy: -7.776 tors. eta vs tors. theta energy: -11.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -290.958520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.958520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.958520 (E_RNA) where: Base-Base interactions energy: -204.726 where: short stacking energy: -81.957 Base-Backbone interact. energy: -1.473 local terms energy: -84.759521 where: bonds (distance) C4'-P energy: -14.603 bonds (distance) P-C4' energy: -18.107 flat angles C4'-P-C4' energy: -17.870 flat angles P-C4'-P energy: -12.060 tors. eta vs tors. theta energy: -22.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -289.540076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.540076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.540076 (E_RNA) where: Base-Base interactions energy: -203.767 where: short stacking energy: -86.082 Base-Backbone interact. energy: -2.185 local terms energy: -83.588438 where: bonds (distance) C4'-P energy: -18.376 bonds (distance) P-C4' energy: -19.246 flat angles C4'-P-C4' energy: -18.065 flat angles P-C4'-P energy: -6.741 tors. eta vs tors. theta energy: -21.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -278.821401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.821401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.821401 (E_RNA) where: Base-Base interactions energy: -200.929 where: short stacking energy: -85.338 Base-Backbone interact. energy: -1.561 local terms energy: -76.331903 where: bonds (distance) C4'-P energy: -12.716 bonds (distance) P-C4' energy: -18.535 flat angles C4'-P-C4' energy: -16.292 flat angles P-C4'-P energy: -7.811 tors. eta vs tors. theta energy: -20.978 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: 3 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -241.197873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.197873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.197873 (E_RNA) where: Base-Base interactions energy: -165.142 where: short stacking energy: -78.095 Base-Backbone interact. energy: -1.761 local terms energy: -74.295089 where: bonds (distance) C4'-P energy: -16.839 bonds (distance) P-C4' energy: -16.889 flat angles C4'-P-C4' energy: -16.953 flat angles P-C4'-P energy: -5.846 tors. eta vs tors. theta energy: -17.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -226.200645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.200645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.200645 (E_RNA) where: Base-Base interactions energy: -152.862 where: short stacking energy: -80.512 Base-Backbone interact. energy: -1.359 local terms energy: -71.979523 where: bonds (distance) C4'-P energy: -14.384 bonds (distance) P-C4' energy: -15.546 flat angles C4'-P-C4' energy: -14.046 flat angles P-C4'-P energy: -7.703 tors. eta vs tors. theta energy: -20.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -237.054481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.054481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.054481 (E_RNA) where: Base-Base interactions energy: -162.362 where: short stacking energy: -72.560 Base-Backbone interact. energy: -0.031 local terms energy: -74.662090 where: bonds (distance) C4'-P energy: -11.199 bonds (distance) P-C4' energy: -17.982 flat angles C4'-P-C4' energy: -18.310 flat angles P-C4'-P energy: -9.546 tors. eta vs tors. theta energy: -17.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -216.038679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.038679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.038679 (E_RNA) where: Base-Base interactions energy: -139.984 where: short stacking energy: -66.907 Base-Backbone interact. energy: -0.201 local terms energy: -75.852859 where: bonds (distance) C4'-P energy: -12.332 bonds (distance) P-C4' energy: -17.285 flat angles C4'-P-C4' energy: -16.532 flat angles P-C4'-P energy: -14.492 tors. eta vs tors. theta energy: -15.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -222.237496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.237496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.237496 (E_RNA) where: Base-Base interactions energy: -147.403 where: short stacking energy: -69.764 Base-Backbone interact. energy: -0.979 local terms energy: -73.855043 where: bonds (distance) C4'-P energy: -15.553 bonds (distance) P-C4' energy: -18.476 flat angles C4'-P-C4' energy: -15.305 flat angles P-C4'-P energy: -5.805 tors. eta vs tors. theta energy: -18.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -200.194836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.194836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.194836 (E_RNA) where: Base-Base interactions energy: -135.657 where: short stacking energy: -65.157 Base-Backbone interact. energy: -0.251 local terms energy: -64.287089 where: bonds (distance) C4'-P energy: -10.589 bonds (distance) P-C4' energy: -14.131 flat angles C4'-P-C4' energy: -13.610 flat angles P-C4'-P energy: -10.645 tors. eta vs tors. theta energy: -15.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -185.787405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.787405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.787405 (E_RNA) where: Base-Base interactions energy: -126.182 where: short stacking energy: -64.901 Base-Backbone interact. energy: -0.176 local terms energy: -59.430308 where: bonds (distance) C4'-P energy: -11.383 bonds (distance) P-C4' energy: -12.011 flat angles C4'-P-C4' energy: -14.866 flat angles P-C4'-P energy: -12.174 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: 1, replica: 9 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -295.063019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.063019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.063019 (E_RNA) where: Base-Base interactions energy: -214.750 where: short stacking energy: -101.977 Base-Backbone interact. energy: -0.011 local terms energy: -80.302435 where: bonds (distance) C4'-P energy: -14.368 bonds (distance) P-C4' energy: -14.635 flat angles C4'-P-C4' energy: -16.498 flat angles P-C4'-P energy: -12.930 tors. eta vs tors. theta energy: -21.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -291.531714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.531714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.531714 (E_RNA) where: Base-Base interactions energy: -203.409 where: short stacking energy: -90.705 Base-Backbone interact. energy: -0.705 local terms energy: -87.417430 where: bonds (distance) C4'-P energy: -16.755 bonds (distance) P-C4' energy: -18.178 flat angles C4'-P-C4' energy: -20.618 flat angles P-C4'-P energy: -11.130 tors. eta vs tors. theta energy: -20.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -290.966627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.966627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.966627 (E_RNA) where: Base-Base interactions energy: -204.185 where: short stacking energy: -88.573 Base-Backbone interact. energy: 1.383 local terms energy: -88.164889 where: bonds (distance) C4'-P energy: -19.030 bonds (distance) P-C4' energy: -19.092 flat angles C4'-P-C4' energy: -19.850 flat angles P-C4'-P energy: -7.063 tors. eta vs tors. theta energy: -23.129 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: 4, replica: 5 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -238.056471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.056471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.056471 (E_RNA) where: Base-Base interactions energy: -161.065 where: short stacking energy: -84.713 Base-Backbone interact. energy: -0.406 local terms energy: -76.585025 where: bonds (distance) C4'-P energy: -12.969 bonds (distance) P-C4' energy: -14.054 flat angles C4'-P-C4' energy: -17.566 flat angles P-C4'-P energy: -13.845 tors. eta vs tors. theta energy: -18.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -241.856904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.856904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.856904 (E_RNA) where: Base-Base interactions energy: -163.013 where: short stacking energy: -83.815 Base-Backbone interact. energy: -0.083 local terms energy: -78.760777 where: bonds (distance) C4'-P energy: -12.586 bonds (distance) P-C4' energy: -19.337 flat angles C4'-P-C4' energy: -19.107 flat angles P-C4'-P energy: -6.515 tors. eta vs tors. theta energy: -21.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -224.907759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.907759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.907759 (E_RNA) where: Base-Base interactions energy: -148.320 where: short stacking energy: -76.170 Base-Backbone interact. energy: -0.129 local terms energy: -76.458889 where: bonds (distance) C4'-P energy: -14.555 bonds (distance) P-C4' energy: -15.969 flat angles C4'-P-C4' energy: -18.317 flat angles P-C4'-P energy: -9.652 tors. eta vs tors. theta energy: -17.966 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: 7, replica: 4 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -239.562580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.562580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.562580 (E_RNA) where: Base-Base interactions energy: -159.793 where: short stacking energy: -77.755 Base-Backbone interact. energy: -0.637 local terms energy: -79.131896 where: bonds (distance) C4'-P energy: -15.796 bonds (distance) P-C4' energy: -16.808 flat angles C4'-P-C4' energy: -16.204 flat angles P-C4'-P energy: -11.683 tors. eta vs tors. theta energy: -18.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -207.823490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.823490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.823490 (E_RNA) where: Base-Base interactions energy: -135.709 where: short stacking energy: -67.233 Base-Backbone interact. energy: -0.856 local terms energy: -71.258945 where: bonds (distance) C4'-P energy: -14.330 bonds (distance) P-C4' energy: -13.792 flat angles C4'-P-C4' energy: -17.632 flat angles P-C4'-P energy: -9.647 tors. eta vs tors. theta energy: -15.858 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: 7 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -213.440735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.440735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.440735 (E_RNA) where: Base-Base interactions energy: -147.062 where: short stacking energy: -68.313 Base-Backbone interact. energy: -0.012 local terms energy: -66.366101 where: bonds (distance) C4'-P energy: -11.064 bonds (distance) P-C4' energy: -16.939 flat angles C4'-P-C4' energy: -15.432 flat angles P-C4'-P energy: -6.222 tors. eta vs tors. theta energy: -16.709 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: 421 Temperature: 1.350000 Total energy: -212.363249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.363249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.363249 (E_RNA) where: Base-Base interactions energy: -145.443 where: short stacking energy: -74.887 Base-Backbone interact. energy: 0.612 local terms energy: -67.532257 where: bonds (distance) C4'-P energy: -10.807 bonds (distance) P-C4' energy: -15.245 flat angles C4'-P-C4' energy: -16.623 flat angles P-C4'-P energy: -9.439 tors. eta vs tors. theta energy: -15.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -291.098783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.098783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.098783 (E_RNA) where: Base-Base interactions energy: -200.093 where: short stacking energy: -90.540 Base-Backbone interact. energy: -0.711 local terms energy: -90.294042 where: bonds (distance) C4'-P energy: -16.894 bonds (distance) P-C4' energy: -18.562 flat angles C4'-P-C4' energy: -19.480 flat angles P-C4'-P energy: -12.317 tors. eta vs tors. theta energy: -23.041 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: 422 Temperature: 0.950000 Total energy: -277.674611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.674611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.674611 (E_RNA) where: Base-Base interactions energy: -189.116 where: short stacking energy: -78.925 Base-Backbone interact. energy: -0.949 local terms energy: -87.609034 where: bonds (distance) C4'-P energy: -15.115 bonds (distance) P-C4' energy: -18.203 flat angles C4'-P-C4' energy: -19.610 flat angles P-C4'-P energy: -12.733 tors. eta vs tors. theta energy: -21.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -289.669369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.669369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.669369 (E_RNA) where: Base-Base interactions energy: -205.776 where: short stacking energy: -84.947 Base-Backbone interact. energy: -2.050 local terms energy: -81.843896 where: bonds (distance) C4'-P energy: -18.392 bonds (distance) P-C4' energy: -13.575 flat angles C4'-P-C4' energy: -15.301 flat angles P-C4'-P energy: -11.826 tors. eta vs tors. theta energy: -22.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -227.190438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.190438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.190438 (E_RNA) where: Base-Base interactions energy: -153.628 where: short stacking energy: -68.835 Base-Backbone interact. energy: -1.099 local terms energy: -72.463555 where: bonds (distance) C4'-P energy: -16.239 bonds (distance) P-C4' energy: -19.087 flat angles C4'-P-C4' energy: -18.088 flat angles P-C4'-P energy: -6.881 tors. eta vs tors. theta energy: -12.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -240.856991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.856991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.856991 (E_RNA) where: Base-Base interactions energy: -161.512 where: short stacking energy: -81.070 Base-Backbone interact. energy: -0.473 local terms energy: -78.872376 where: bonds (distance) C4'-P energy: -14.327 bonds (distance) P-C4' energy: -17.224 flat angles C4'-P-C4' energy: -17.778 flat angles P-C4'-P energy: -12.679 tors. eta vs tors. theta energy: -16.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -224.877766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.877766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.877766 (E_RNA) where: Base-Base interactions energy: -147.421 where: short stacking energy: -76.446 Base-Backbone interact. energy: -0.117 local terms energy: -77.339863 where: bonds (distance) C4'-P energy: -14.629 bonds (distance) P-C4' energy: -18.852 flat angles C4'-P-C4' energy: -16.702 flat angles P-C4'-P energy: -10.947 tors. eta vs tors. theta energy: -16.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -212.915980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.915980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.915980 (E_RNA) where: Base-Base interactions energy: -145.221 where: short stacking energy: -61.554 Base-Backbone interact. energy: 0.533 local terms energy: -68.227716 where: bonds (distance) C4'-P energy: -12.666 bonds (distance) P-C4' energy: -16.796 flat angles C4'-P-C4' energy: -19.452 flat angles P-C4'-P energy: -6.125 tors. eta vs tors. theta energy: -13.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -226.269160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.269160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.269160 (E_RNA) where: Base-Base interactions energy: -153.650 where: short stacking energy: -72.740 Base-Backbone interact. energy: -0.367 local terms energy: -72.252338 where: bonds (distance) C4'-P energy: -12.222 bonds (distance) P-C4' energy: -18.236 flat angles C4'-P-C4' energy: -17.771 flat angles P-C4'-P energy: -7.845 tors. eta vs tors. theta energy: -16.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -200.054200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.054200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.054200 (E_RNA) where: Base-Base interactions energy: -134.883 where: short stacking energy: -61.159 Base-Backbone interact. energy: -0.110 local terms energy: -65.061415 where: bonds (distance) C4'-P energy: -15.169 bonds (distance) P-C4' energy: -18.766 flat angles C4'-P-C4' energy: -12.884 flat angles P-C4'-P energy: -8.560 tors. eta vs tors. theta energy: -9.682 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: 10, replica: 7 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -200.089866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.089866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.089866 (E_RNA) where: Base-Base interactions energy: -129.629 where: short stacking energy: -58.891 Base-Backbone interact. energy: -0.196 local terms energy: -70.265389 where: bonds (distance) C4'-P energy: -9.682 bonds (distance) P-C4' energy: -17.498 flat angles C4'-P-C4' energy: -15.980 flat angles P-C4'-P energy: -10.560 tors. eta vs tors. theta energy: -16.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -295.378354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.378354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.378354 (E_RNA) where: Base-Base interactions energy: -207.626 where: short stacking energy: -95.720 Base-Backbone interact. energy: -0.223 local terms energy: -87.529935 where: bonds (distance) C4'-P energy: -18.847 bonds (distance) P-C4' energy: -16.910 flat angles C4'-P-C4' energy: -18.176 flat angles P-C4'-P energy: -10.371 tors. eta vs tors. theta energy: -23.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -285.767971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.767971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.767971 (E_RNA) where: Base-Base interactions energy: -207.427 where: short stacking energy: -93.024 Base-Backbone interact. energy: -0.422 local terms energy: -77.918771 where: bonds (distance) C4'-P energy: -10.170 bonds (distance) P-C4' energy: -15.432 flat angles C4'-P-C4' energy: -17.157 flat angles P-C4'-P energy: -12.293 tors. eta vs tors. theta energy: -22.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -284.621573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.621573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.621573 (E_RNA) where: Base-Base interactions energy: -203.000 where: short stacking energy: -78.665 Base-Backbone interact. energy: -0.390 local terms energy: -81.230932 where: bonds (distance) C4'-P energy: -14.451 bonds (distance) P-C4' energy: -18.884 flat angles C4'-P-C4' energy: -19.628 flat angles P-C4'-P energy: -7.513 tors. eta vs tors. theta energy: -20.754 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: 3 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -239.379768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.379768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.379768 (E_RNA) where: Base-Base interactions energy: -160.181 where: short stacking energy: -80.597 Base-Backbone interact. energy: -0.025 local terms energy: -79.173566 where: bonds (distance) C4'-P energy: -15.502 bonds (distance) P-C4' energy: -16.183 flat angles C4'-P-C4' energy: -18.438 flat angles P-C4'-P energy: -9.260 tors. eta vs tors. theta energy: -19.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -224.402037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.402037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.402037 (E_RNA) where: Base-Base interactions energy: -148.434 where: short stacking energy: -69.278 Base-Backbone interact. energy: -0.250 local terms energy: -75.717899 where: bonds (distance) C4'-P energy: -16.839 bonds (distance) P-C4' energy: -17.528 flat angles C4'-P-C4' energy: -17.876 flat angles P-C4'-P energy: -9.055 tors. eta vs tors. theta energy: -14.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -233.541230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.541230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.541230 (E_RNA) where: Base-Base interactions energy: -159.104 where: short stacking energy: -78.861 Base-Backbone interact. energy: 0.713 local terms energy: -75.150950 where: bonds (distance) C4'-P energy: -17.254 bonds (distance) P-C4' energy: -17.256 flat angles C4'-P-C4' energy: -11.235 flat angles P-C4'-P energy: -9.379 tors. eta vs tors. theta energy: -20.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -220.637844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.637844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.637844 (E_RNA) where: Base-Base interactions energy: -137.515 where: short stacking energy: -64.059 Base-Backbone interact. energy: -0.091 local terms energy: -83.031349 where: bonds (distance) C4'-P energy: -18.027 bonds (distance) P-C4' energy: -19.784 flat angles C4'-P-C4' energy: -18.131 flat angles P-C4'-P energy: -10.431 tors. eta vs tors. theta energy: -16.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -205.749567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.749567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.749567 (E_RNA) where: Base-Base interactions energy: -133.901 where: short stacking energy: -55.604 Base-Backbone interact. energy: -0.719 local terms energy: -71.129476 where: bonds (distance) C4'-P energy: -15.828 bonds (distance) P-C4' energy: -20.204 flat angles C4'-P-C4' energy: -14.976 flat angles P-C4'-P energy: -6.487 tors. eta vs tors. theta energy: -13.635 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: 10 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -205.793342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.793342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.793342 (E_RNA) where: Base-Base interactions energy: -137.717 where: short stacking energy: -66.565 Base-Backbone interact. energy: 0.593 local terms energy: -68.668690 where: bonds (distance) C4'-P energy: -14.479 bonds (distance) P-C4' energy: -12.090 flat angles C4'-P-C4' energy: -19.023 flat angles P-C4'-P energy: -9.864 tors. eta vs tors. theta energy: -13.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -212.458483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.458483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.458483 (E_RNA) where: Base-Base interactions energy: -140.095 where: short stacking energy: -65.477 Base-Backbone interact. energy: -0.400 local terms energy: -71.963703 where: bonds (distance) C4'-P energy: -12.886 bonds (distance) P-C4' energy: -17.077 flat angles C4'-P-C4' energy: -16.728 flat angles P-C4'-P energy: -8.390 tors. eta vs tors. theta energy: -16.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -292.481150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.481150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.481150 (E_RNA) where: Base-Base interactions energy: -208.623 where: short stacking energy: -82.988 Base-Backbone interact. energy: -0.139 local terms energy: -83.718484 where: bonds (distance) C4'-P energy: -19.286 bonds (distance) P-C4' energy: -19.112 flat angles C4'-P-C4' energy: -17.448 flat angles P-C4'-P energy: -8.668 tors. eta vs tors. theta energy: -19.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -291.973451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.973451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.973451 (E_RNA) where: Base-Base interactions energy: -206.228 where: short stacking energy: -78.244 Base-Backbone interact. energy: -2.509 local terms energy: -83.236726 where: bonds (distance) C4'-P energy: -18.385 bonds (distance) P-C4' energy: -17.745 flat angles C4'-P-C4' energy: -18.960 flat angles P-C4'-P energy: -9.777 tors. eta vs tors. theta energy: -18.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -263.184644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.184644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.184644 (E_RNA) where: Base-Base interactions energy: -176.961 where: short stacking energy: -95.368 Base-Backbone interact. energy: -0.809 local terms energy: -85.415077 where: bonds (distance) C4'-P energy: -18.525 bonds (distance) P-C4' energy: -18.605 flat angles C4'-P-C4' energy: -17.465 flat angles P-C4'-P energy: -7.784 tors. eta vs tors. theta energy: -23.036 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: 4, replica: 1 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -277.072355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.072355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.072355 (E_RNA) where: Base-Base interactions energy: -201.837 where: short stacking energy: -87.815 Base-Backbone interact. energy: 1.811 local terms energy: -77.045720 where: bonds (distance) C4'-P energy: -17.821 bonds (distance) P-C4' energy: -17.142 flat angles C4'-P-C4' energy: -14.349 flat angles P-C4'-P energy: -6.908 tors. eta vs tors. theta energy: -20.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -221.729360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.729360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.729360 (E_RNA) where: Base-Base interactions energy: -150.147 where: short stacking energy: -70.764 Base-Backbone interact. energy: 0.258 local terms energy: -71.840391 where: bonds (distance) C4'-P energy: -17.143 bonds (distance) P-C4' energy: -16.416 flat angles C4'-P-C4' energy: -14.350 flat angles P-C4'-P energy: -8.192 tors. eta vs tors. theta energy: -15.740 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: 5 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -220.352463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.352463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.352463 (E_RNA) where: Base-Base interactions energy: -149.414 where: short stacking energy: -70.502 Base-Backbone interact. energy: -0.125 local terms energy: -70.812814 where: bonds (distance) C4'-P energy: -15.729 bonds (distance) P-C4' energy: -14.538 flat angles C4'-P-C4' energy: -17.901 flat angles P-C4'-P energy: -6.165 tors. eta vs tors. theta energy: -16.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -225.639933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.639933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.639933 (E_RNA) where: Base-Base interactions energy: -154.573 where: short stacking energy: -85.297 Base-Backbone interact. energy: 1.094 local terms energy: -72.160145 where: bonds (distance) C4'-P energy: -14.273 bonds (distance) P-C4' energy: -11.653 flat angles C4'-P-C4' energy: -18.413 flat angles P-C4'-P energy: -9.408 tors. eta vs tors. theta energy: -18.413 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: 424 Temperature: 1.250000 Total energy: -207.588006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.588006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.588006 (E_RNA) where: Base-Base interactions energy: -141.992 where: short stacking energy: -71.466 Base-Backbone interact. energy: 0.898 local terms energy: -66.494425 where: bonds (distance) C4'-P energy: -17.618 bonds (distance) P-C4' energy: -11.942 flat angles C4'-P-C4' energy: -14.649 flat angles P-C4'-P energy: -9.494 tors. eta vs tors. theta energy: -12.790 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: 9, replica: 7 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -210.521879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.521879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.521879 (E_RNA) where: Base-Base interactions energy: -144.454 where: short stacking energy: -68.000 Base-Backbone interact. energy: -0.070 local terms energy: -65.998580 where: bonds (distance) C4'-P energy: -16.533 bonds (distance) P-C4' energy: -13.347 flat angles C4'-P-C4' energy: -14.305 flat angles P-C4'-P energy: -8.262 tors. eta vs tors. theta energy: -13.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -201.577223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.577223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.577223 (E_RNA) where: Base-Base interactions energy: -132.223 where: short stacking energy: -57.940 Base-Backbone interact. energy: -0.229 local terms energy: -69.124498 where: bonds (distance) C4'-P energy: -10.465 bonds (distance) P-C4' energy: -20.691 flat angles C4'-P-C4' energy: -14.485 flat angles P-C4'-P energy: -12.624 tors. eta vs tors. theta energy: -10.860 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: 1, replica: 8 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -296.540012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.540012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.540012 (E_RNA) where: Base-Base interactions energy: -209.267 where: short stacking energy: -93.748 Base-Backbone interact. energy: -0.935 local terms energy: -86.338193 where: bonds (distance) C4'-P energy: -17.986 bonds (distance) P-C4' energy: -16.134 flat angles C4'-P-C4' energy: -19.009 flat angles P-C4'-P energy: -9.313 tors. eta vs tors. theta energy: -23.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -257.524876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.524876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.524876 (E_RNA) where: Base-Base interactions energy: -175.317 where: short stacking energy: -92.827 Base-Backbone interact. energy: -0.695 local terms energy: -81.512503 where: bonds (distance) C4'-P energy: -14.078 bonds (distance) P-C4' energy: -18.150 flat angles C4'-P-C4' energy: -18.216 flat angles P-C4'-P energy: -6.825 tors. eta vs tors. theta energy: -24.244 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: 9 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -281.031380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.031380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.031380 (E_RNA) where: Base-Base interactions energy: -199.541 where: short stacking energy: -89.521 Base-Backbone interact. energy: 0.463 local terms energy: -81.953610 where: bonds (distance) C4'-P energy: -15.008 bonds (distance) P-C4' energy: -18.954 flat angles C4'-P-C4' energy: -19.839 flat angles P-C4'-P energy: -8.093 tors. eta vs tors. theta energy: -20.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -268.753577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.753577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.753577 (E_RNA) where: Base-Base interactions energy: -186.197 where: short stacking energy: -80.499 Base-Backbone interact. energy: -0.439 local terms energy: -82.117163 where: bonds (distance) C4'-P energy: -14.319 bonds (distance) P-C4' energy: -18.629 flat angles C4'-P-C4' energy: -17.677 flat angles P-C4'-P energy: -9.694 tors. eta vs tors. theta energy: -21.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -235.628130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.628130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.628130 (E_RNA) where: Base-Base interactions energy: -156.570 where: short stacking energy: -73.253 Base-Backbone interact. energy: -0.092 local terms energy: -78.966775 where: bonds (distance) C4'-P energy: -13.097 bonds (distance) P-C4' energy: -18.199 flat angles C4'-P-C4' energy: -17.871 flat angles P-C4'-P energy: -10.641 tors. eta vs tors. theta energy: -19.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -230.976572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.976572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.976572 (E_RNA) where: Base-Base interactions energy: -158.779 where: short stacking energy: -78.298 Base-Backbone interact. energy: -0.262 local terms energy: -71.935746 where: bonds (distance) C4'-P energy: -18.429 bonds (distance) P-C4' energy: -18.416 flat angles C4'-P-C4' energy: -13.434 flat angles P-C4'-P energy: -8.009 tors. eta vs tors. theta energy: -13.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -209.772175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.772175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.772175 (E_RNA) where: Base-Base interactions energy: -137.972 where: short stacking energy: -57.621 Base-Backbone interact. energy: -0.519 local terms energy: -71.280970 where: bonds (distance) C4'-P energy: -16.045 bonds (distance) P-C4' energy: -19.585 flat angles C4'-P-C4' energy: -16.011 flat angles P-C4'-P energy: -6.915 tors. eta vs tors. theta energy: -12.725 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: 7 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -212.664936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.664936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.664936 (E_RNA) where: Base-Base interactions energy: -142.113 where: short stacking energy: -70.155 Base-Backbone interact. energy: -1.061 local terms energy: -69.491267 where: bonds (distance) C4'-P energy: -17.700 bonds (distance) P-C4' energy: -5.468 flat angles C4'-P-C4' energy: -19.009 flat angles P-C4'-P energy: -8.516 tors. eta vs tors. theta energy: -18.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -205.694479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.694479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.694479 (E_RNA) where: Base-Base interactions energy: -133.265 where: short stacking energy: -65.228 Base-Backbone interact. energy: -0.003 local terms energy: -72.426566 where: bonds (distance) C4'-P energy: -16.654 bonds (distance) P-C4' energy: -19.432 flat angles C4'-P-C4' energy: -10.080 flat angles P-C4'-P energy: -6.535 tors. eta vs tors. theta energy: -19.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -195.313443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.313443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.313443 (E_RNA) where: Base-Base interactions energy: -135.158 where: short stacking energy: -63.942 Base-Backbone interact. energy: -0.279 local terms energy: -59.875804 where: bonds (distance) C4'-P energy: -14.764 bonds (distance) P-C4' energy: -10.330 flat angles C4'-P-C4' energy: -13.617 flat angles P-C4'-P energy: -9.307 tors. eta vs tors. theta energy: -11.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -296.656314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.656314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.656314 (E_RNA) where: Base-Base interactions energy: -207.635 where: short stacking energy: -88.966 Base-Backbone interact. energy: -0.734 local terms energy: -88.287326 where: bonds (distance) C4'-P energy: -18.422 bonds (distance) P-C4' energy: -16.924 flat angles C4'-P-C4' energy: -19.341 flat angles P-C4'-P energy: -9.900 tors. eta vs tors. theta energy: -23.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -267.438734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.438734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.438734 (E_RNA) where: Base-Base interactions energy: -175.182 where: short stacking energy: -93.703 Base-Backbone interact. energy: -0.238 local terms energy: -92.019322 where: bonds (distance) C4'-P energy: -15.425 bonds (distance) P-C4' energy: -20.573 flat angles C4'-P-C4' energy: -20.114 flat angles P-C4'-P energy: -13.376 tors. eta vs tors. theta energy: -22.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -282.839793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.839793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.839793 (E_RNA) where: Base-Base interactions energy: -200.815 where: short stacking energy: -86.074 Base-Backbone interact. energy: -2.936 local terms energy: -79.088417 where: bonds (distance) C4'-P energy: -15.382 bonds (distance) P-C4' energy: -19.177 flat angles C4'-P-C4' energy: -16.209 flat angles P-C4'-P energy: -9.179 tors. eta vs tors. theta energy: -19.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -270.683558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.683558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.683558 (E_RNA) where: Base-Base interactions energy: -192.879 where: short stacking energy: -75.329 Base-Backbone interact. energy: -0.602 local terms energy: -77.202723 where: bonds (distance) C4'-P energy: -17.237 bonds (distance) P-C4' energy: -18.780 flat angles C4'-P-C4' energy: -15.782 flat angles P-C4'-P energy: -8.186 tors. eta vs tors. theta energy: -17.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -235.292829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.292829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.292829 (E_RNA) where: Base-Base interactions energy: -160.021 where: short stacking energy: -81.536 Base-Backbone interact. energy: 1.527 local terms energy: -76.798948 where: bonds (distance) C4'-P energy: -12.828 bonds (distance) P-C4' energy: -17.280 flat angles C4'-P-C4' energy: -18.635 flat angles P-C4'-P energy: -8.606 tors. eta vs tors. theta energy: -19.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -231.746281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.746281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.746281 (E_RNA) where: Base-Base interactions energy: -162.120 where: short stacking energy: -72.391 Base-Backbone interact. energy: -0.445 local terms energy: -69.181568 where: bonds (distance) C4'-P energy: -14.124 bonds (distance) P-C4' energy: -16.176 flat angles C4'-P-C4' energy: -11.780 flat angles P-C4'-P energy: -8.800 tors. eta vs tors. theta energy: -18.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -217.853319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.853319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.853319 (E_RNA) where: Base-Base interactions energy: -144.314 where: short stacking energy: -66.279 Base-Backbone interact. energy: -0.234 local terms energy: -73.305404 where: bonds (distance) C4'-P energy: -17.573 bonds (distance) P-C4' energy: -12.579 flat angles C4'-P-C4' energy: -18.349 flat angles P-C4'-P energy: -9.685 tors. eta vs tors. theta energy: -15.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -205.247639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.247639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.247639 (E_RNA) where: Base-Base interactions energy: -135.509 where: short stacking energy: -65.251 Base-Backbone interact. energy: -0.009 local terms energy: -69.729783 where: bonds (distance) C4'-P energy: -16.160 bonds (distance) P-C4' energy: -13.120 flat angles C4'-P-C4' energy: -17.983 flat angles P-C4'-P energy: -10.651 tors. eta vs tors. theta energy: -11.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -209.579909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.579909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.579909 (E_RNA) where: Base-Base interactions energy: -138.236 where: short stacking energy: -60.911 Base-Backbone interact. energy: 0.554 local terms energy: -71.898269 where: bonds (distance) C4'-P energy: -12.936 bonds (distance) P-C4' energy: -19.573 flat angles C4'-P-C4' energy: -15.186 flat angles P-C4'-P energy: -13.522 tors. eta vs tors. theta energy: -10.683 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: 10, replica: 6 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -199.939878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.939878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.939878 (E_RNA) where: Base-Base interactions energy: -131.917 where: short stacking energy: -64.225 Base-Backbone interact. energy: 0.277 local terms energy: -68.300198 where: bonds (distance) C4'-P energy: -14.807 bonds (distance) P-C4' energy: -17.645 flat angles C4'-P-C4' energy: -14.865 flat angles P-C4'-P energy: -7.432 tors. eta vs tors. theta energy: -13.551 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: 427 Temperature: 0.900000 Total energy: -289.974004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.974004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.974004 (E_RNA) where: Base-Base interactions energy: -204.953 where: short stacking energy: -83.656 Base-Backbone interact. energy: -0.799 local terms energy: -84.222084 where: bonds (distance) C4'-P energy: -16.153 bonds (distance) P-C4' energy: -15.177 flat angles C4'-P-C4' energy: -18.175 flat angles P-C4'-P energy: -10.340 tors. eta vs tors. theta energy: -24.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -290.313731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.313731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.313731 (E_RNA) where: Base-Base interactions energy: -208.255 where: short stacking energy: -90.640 Base-Backbone interact. energy: 0.035 local terms energy: -82.094096 where: bonds (distance) C4'-P energy: -15.696 bonds (distance) P-C4' energy: -17.026 flat angles C4'-P-C4' energy: -17.613 flat angles P-C4'-P energy: -9.607 tors. eta vs tors. theta energy: -22.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -250.168449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.168449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.168449 (E_RNA) where: Base-Base interactions energy: -166.542 where: short stacking energy: -83.174 Base-Backbone interact. energy: -0.023 local terms energy: -83.603006 where: bonds (distance) C4'-P energy: -16.263 bonds (distance) P-C4' energy: -16.516 flat angles C4'-P-C4' energy: -17.271 flat angles P-C4'-P energy: -10.705 tors. eta vs tors. theta energy: -22.848 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: 4, replica: 9 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -253.124583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.124583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.124583 (E_RNA) where: Base-Base interactions energy: -182.269 where: short stacking energy: -76.409 Base-Backbone interact. energy: -1.290 local terms energy: -69.566077 where: bonds (distance) C4'-P energy: -14.159 bonds (distance) P-C4' energy: -10.978 flat angles C4'-P-C4' energy: -17.131 flat angles P-C4'-P energy: -9.956 tors. eta vs tors. theta energy: -17.343 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: 4 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -226.642984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.642984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.642984 (E_RNA) where: Base-Base interactions energy: -151.220 where: short stacking energy: -71.247 Base-Backbone interact. energy: 0.375 local terms energy: -75.797672 where: bonds (distance) C4'-P energy: -16.095 bonds (distance) P-C4' energy: -18.848 flat angles C4'-P-C4' energy: -15.289 flat angles P-C4'-P energy: -5.877 tors. eta vs tors. theta energy: -19.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -227.192154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.192154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.192154 (E_RNA) where: Base-Base interactions energy: -144.925 where: short stacking energy: -72.439 Base-Backbone interact. energy: -0.024 local terms energy: -82.243133 where: bonds (distance) C4'-P energy: -12.235 bonds (distance) P-C4' energy: -19.947 flat angles C4'-P-C4' energy: -16.457 flat angles P-C4'-P energy: -14.141 tors. eta vs tors. theta energy: -19.463 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: 2 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -222.556401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.556401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.556401 (E_RNA) where: Base-Base interactions energy: -150.110 where: short stacking energy: -72.655 Base-Backbone interact. energy: -0.182 local terms energy: -72.264369 where: bonds (distance) C4'-P energy: -11.276 bonds (distance) P-C4' energy: -16.420 flat angles C4'-P-C4' energy: -17.794 flat angles P-C4'-P energy: -11.126 tors. eta vs tors. theta energy: -15.648 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: 10 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -210.623568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.623568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.623568 (E_RNA) where: Base-Base interactions energy: -145.359 where: short stacking energy: -64.184 Base-Backbone interact. energy: -0.352 local terms energy: -64.912699 where: bonds (distance) C4'-P energy: -14.753 bonds (distance) P-C4' energy: -12.338 flat angles C4'-P-C4' energy: -14.723 flat angles P-C4'-P energy: -3.935 tors. eta vs tors. theta energy: -19.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -209.553848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.553848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.553848 (E_RNA) where: Base-Base interactions energy: -144.917 where: short stacking energy: -66.364 Base-Backbone interact. energy: -0.053 local terms energy: -64.583979 where: bonds (distance) C4'-P energy: -10.347 bonds (distance) P-C4' energy: -14.266 flat angles C4'-P-C4' energy: -12.640 flat angles P-C4'-P energy: -12.403 tors. eta vs tors. theta energy: -14.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -217.983986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.983986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.983986 (E_RNA) where: Base-Base interactions energy: -156.333 where: short stacking energy: -75.188 Base-Backbone interact. energy: -0.105 local terms energy: -61.545509 where: bonds (distance) C4'-P energy: -7.350 bonds (distance) P-C4' energy: -11.538 flat angles C4'-P-C4' energy: -16.305 flat angles P-C4'-P energy: -7.797 tors. eta vs tors. theta energy: -18.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -288.670314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.670314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.670314 (E_RNA) where: Base-Base interactions energy: -198.737 where: short stacking energy: -89.354 Base-Backbone interact. energy: -0.988 local terms energy: -88.945990 where: bonds (distance) C4'-P energy: -16.107 bonds (distance) P-C4' energy: -18.227 flat angles C4'-P-C4' energy: -18.475 flat angles P-C4'-P energy: -13.733 tors. eta vs tors. theta energy: -22.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -286.841546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.841546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.841546 (E_RNA) where: Base-Base interactions energy: -207.566 where: short stacking energy: -91.348 Base-Backbone interact. energy: -2.220 local terms energy: -77.055098 where: bonds (distance) C4'-P energy: -13.805 bonds (distance) P-C4' energy: -17.619 flat angles C4'-P-C4' energy: -17.093 flat angles P-C4'-P energy: -7.187 tors. eta vs tors. theta energy: -21.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -268.308443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.308443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.308443 (E_RNA) where: Base-Base interactions energy: -186.745 where: short stacking energy: -82.728 Base-Backbone interact. energy: 0.651 local terms energy: -82.214242 where: bonds (distance) C4'-P energy: -17.411 bonds (distance) P-C4' energy: -14.571 flat angles C4'-P-C4' energy: -14.101 flat angles P-C4'-P energy: -12.914 tors. eta vs tors. theta energy: -23.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -249.591869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.591869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.591869 (E_RNA) where: Base-Base interactions energy: -173.245 where: short stacking energy: -84.271 Base-Backbone interact. energy: -0.300 local terms energy: -76.046908 where: bonds (distance) C4'-P energy: -12.514 bonds (distance) P-C4' energy: -17.271 flat angles C4'-P-C4' energy: -16.029 flat angles P-C4'-P energy: -11.328 tors. eta vs tors. theta energy: -18.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -235.529226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.529226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.529226 (E_RNA) where: Base-Base interactions energy: -158.589 where: short stacking energy: -80.675 Base-Backbone interact. energy: -0.620 local terms energy: -76.320094 where: bonds (distance) C4'-P energy: -14.263 bonds (distance) P-C4' energy: -15.076 flat angles C4'-P-C4' energy: -16.340 flat angles P-C4'-P energy: -11.054 tors. eta vs tors. theta energy: -19.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -221.536668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.536668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.536668 (E_RNA) where: Base-Base interactions energy: -152.774 where: short stacking energy: -71.958 Base-Backbone interact. energy: -1.202 local terms energy: -67.560428 where: bonds (distance) C4'-P energy: -12.360 bonds (distance) P-C4' energy: -16.173 flat angles C4'-P-C4' energy: -15.073 flat angles P-C4'-P energy: -7.181 tors. eta vs tors. theta energy: -16.774 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: 428 Temperature: 1.200000 Total energy: -233.837602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.837602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.837602 (E_RNA) where: Base-Base interactions energy: -163.674 where: short stacking energy: -83.861 Base-Backbone interact. energy: -0.432 local terms energy: -69.732266 where: bonds (distance) C4'-P energy: -9.703 bonds (distance) P-C4' energy: -18.136 flat angles C4'-P-C4' energy: -15.155 flat angles P-C4'-P energy: -6.435 tors. eta vs tors. theta energy: -20.304 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: 10 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -221.905232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.905232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.905232 (E_RNA) where: Base-Base interactions energy: -155.674 where: short stacking energy: -73.642 Base-Backbone interact. energy: -0.938 local terms energy: -65.292995 where: bonds (distance) C4'-P energy: -16.273 bonds (distance) P-C4' energy: -13.138 flat angles C4'-P-C4' energy: -11.092 flat angles P-C4'-P energy: -6.443 tors. eta vs tors. theta energy: -18.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -207.025037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.025037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.025037 (E_RNA) where: Base-Base interactions energy: -145.713 where: short stacking energy: -67.656 Base-Backbone interact. energy: -0.101 local terms energy: -61.210666 where: bonds (distance) C4'-P energy: -12.745 bonds (distance) P-C4' energy: -10.360 flat angles C4'-P-C4' energy: -13.689 flat angles P-C4'-P energy: -12.579 tors. eta vs tors. theta energy: -11.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -198.502146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.502146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.502146 (E_RNA) where: Base-Base interactions energy: -135.829 where: short stacking energy: -60.600 Base-Backbone interact. energy: -0.122 local terms energy: -62.551304 where: bonds (distance) C4'-P energy: -10.842 bonds (distance) P-C4' energy: -12.374 flat angles C4'-P-C4' energy: -17.162 flat angles P-C4'-P energy: -12.239 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: 1, replica: 1 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -296.304049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.304049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.304049 (E_RNA) where: Base-Base interactions energy: -211.211 where: short stacking energy: -97.666 Base-Backbone interact. energy: -2.307 local terms energy: -82.785440 where: bonds (distance) C4'-P energy: -16.202 bonds (distance) P-C4' energy: -18.923 flat angles C4'-P-C4' energy: -13.924 flat angles P-C4'-P energy: -11.440 tors. eta vs tors. theta energy: -22.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -291.047259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.047259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.047259 (E_RNA) where: Base-Base interactions energy: -203.916 where: short stacking energy: -79.946 Base-Backbone interact. energy: -0.269 local terms energy: -86.863069 where: bonds (distance) C4'-P energy: -18.984 bonds (distance) P-C4' energy: -18.019 flat angles C4'-P-C4' energy: -18.298 flat angles P-C4'-P energy: -13.649 tors. eta vs tors. theta energy: -17.913 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: 9 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -266.889443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.889443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.889443 (E_RNA) where: Base-Base interactions energy: -194.512 where: short stacking energy: -73.531 Base-Backbone interact. energy: -1.168 local terms energy: -71.209408 where: bonds (distance) C4'-P energy: -14.538 bonds (distance) P-C4' energy: -15.898 flat angles C4'-P-C4' energy: -16.445 flat angles P-C4'-P energy: -9.155 tors. eta vs tors. theta energy: -15.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -231.574716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.574716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.574716 (E_RNA) where: Base-Base interactions energy: -152.100 where: short stacking energy: -72.940 Base-Backbone interact. energy: -0.100 local terms energy: -79.374421 where: bonds (distance) C4'-P energy: -16.972 bonds (distance) P-C4' energy: -18.795 flat angles C4'-P-C4' energy: -18.386 flat angles P-C4'-P energy: -12.038 tors. eta vs tors. theta energy: -13.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -237.188745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.188745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.188745 (E_RNA) where: Base-Base interactions energy: -158.555 where: short stacking energy: -72.581 Base-Backbone interact. energy: -0.005 local terms energy: -78.629246 where: bonds (distance) C4'-P energy: -16.040 bonds (distance) P-C4' energy: -16.146 flat angles C4'-P-C4' energy: -16.943 flat angles P-C4'-P energy: -9.583 tors. eta vs tors. theta energy: -19.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -227.381887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.381887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.381887 (E_RNA) where: Base-Base interactions energy: -151.334 where: short stacking energy: -83.270 Base-Backbone interact. energy: -0.873 local terms energy: -75.175239 where: bonds (distance) C4'-P energy: -15.578 bonds (distance) P-C4' energy: -14.374 flat angles C4'-P-C4' energy: -14.856 flat angles P-C4'-P energy: -11.998 tors. eta vs tors. theta energy: -18.369 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: 4 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -221.319718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.319718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.319718 (E_RNA) where: Base-Base interactions energy: -150.007 where: short stacking energy: -68.037 Base-Backbone interact. energy: -0.347 local terms energy: -70.965696 where: bonds (distance) C4'-P energy: -11.573 bonds (distance) P-C4' energy: -13.944 flat angles C4'-P-C4' energy: -15.976 flat angles P-C4'-P energy: -13.965 tors. eta vs tors. theta energy: -15.507 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: 10 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -213.242602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.242602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.242602 (E_RNA) where: Base-Base interactions energy: -150.738 where: short stacking energy: -68.700 Base-Backbone interact. energy: 0.068 local terms energy: -62.573180 where: bonds (distance) C4'-P energy: -11.490 bonds (distance) P-C4' energy: -16.659 flat angles C4'-P-C4' energy: -16.753 flat angles P-C4'-P energy: -5.307 tors. eta vs tors. theta energy: -12.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -191.094937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.094937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.094937 (E_RNA) where: Base-Base interactions energy: -132.009 where: short stacking energy: -61.997 Base-Backbone interact. energy: -0.232 local terms energy: -58.854543 where: bonds (distance) C4'-P energy: -11.454 bonds (distance) P-C4' energy: -17.206 flat angles C4'-P-C4' energy: -13.300 flat angles P-C4'-P energy: -6.073 tors. eta vs tors. theta energy: -10.821 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: 429 Temperature: 1.350000 Total energy: -210.206590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.206590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.206590 (E_RNA) where: Base-Base interactions energy: -143.420 where: short stacking energy: -72.512 Base-Backbone interact. energy: 0.433 local terms energy: -67.219827 where: bonds (distance) C4'-P energy: -13.556 bonds (distance) P-C4' energy: -14.289 flat angles C4'-P-C4' energy: -9.525 flat angles P-C4'-P energy: -12.806 tors. eta vs tors. theta energy: -17.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -295.150740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.150740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.150740 (E_RNA) where: Base-Base interactions energy: -214.946 where: short stacking energy: -88.048 Base-Backbone interact. energy: -1.349 local terms energy: -78.855607 where: bonds (distance) C4'-P energy: -18.661 bonds (distance) P-C4' energy: -16.525 flat angles C4'-P-C4' energy: -15.879 flat angles P-C4'-P energy: -6.725 tors. eta vs tors. theta energy: -21.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -289.183912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.183912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.183912 (E_RNA) where: Base-Base interactions energy: -206.550 where: short stacking energy: -96.960 Base-Backbone interact. energy: -0.135 local terms energy: -82.498181 where: bonds (distance) C4'-P energy: -13.325 bonds (distance) P-C4' energy: -15.144 flat angles C4'-P-C4' energy: -18.821 flat angles P-C4'-P energy: -11.741 tors. eta vs tors. theta energy: -23.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -273.618208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.618208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.618208 (E_RNA) where: Base-Base interactions energy: -201.194 where: short stacking energy: -79.708 Base-Backbone interact. energy: -0.866 local terms energy: -71.557689 where: bonds (distance) C4'-P energy: -14.616 bonds (distance) P-C4' energy: -16.621 flat angles C4'-P-C4' energy: -15.857 flat angles P-C4'-P energy: -9.225 tors. eta vs tors. theta energy: -15.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -231.597585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.597585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.597585 (E_RNA) where: Base-Base interactions energy: -157.713 where: short stacking energy: -79.855 Base-Backbone interact. energy: -0.004 local terms energy: -73.880703 where: bonds (distance) C4'-P energy: -15.528 bonds (distance) P-C4' energy: -19.686 flat angles C4'-P-C4' energy: -17.301 flat angles P-C4'-P energy: -3.533 tors. eta vs tors. theta energy: -17.831 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: 2 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -220.005570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.005570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.005570 (E_RNA) where: Base-Base interactions energy: -146.294 where: short stacking energy: -76.340 Base-Backbone interact. energy: 1.845 local terms energy: -75.556330 where: bonds (distance) C4'-P energy: -17.498 bonds (distance) P-C4' energy: -17.555 flat angles C4'-P-C4' energy: -14.540 flat angles P-C4'-P energy: -10.675 tors. eta vs tors. theta energy: -15.288 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: 6, replica: 7 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -230.103553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.103553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.103553 (E_RNA) where: Base-Base interactions energy: -156.751 where: short stacking energy: -76.870 Base-Backbone interact. energy: -0.250 local terms energy: -73.103263 where: bonds (distance) C4'-P energy: -14.771 bonds (distance) P-C4' energy: -16.163 flat angles C4'-P-C4' energy: -17.724 flat angles P-C4'-P energy: -8.290 tors. eta vs tors. theta energy: -16.156 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: 430 Temperature: 1.200000 Total energy: -220.684306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.684306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.684306 (E_RNA) where: Base-Base interactions energy: -153.457 where: short stacking energy: -80.837 Base-Backbone interact. energy: -0.045 local terms energy: -67.182050 where: bonds (distance) C4'-P energy: -14.641 bonds (distance) P-C4' energy: -10.812 flat angles C4'-P-C4' energy: -13.723 flat angles P-C4'-P energy: -8.342 tors. eta vs tors. theta energy: -19.664 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: 10 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -214.665385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.665385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.665385 (E_RNA) where: Base-Base interactions energy: -148.459 where: short stacking energy: -65.037 Base-Backbone interact. energy: -0.065 local terms energy: -66.141719 where: bonds (distance) C4'-P energy: -19.212 bonds (distance) P-C4' energy: -10.119 flat angles C4'-P-C4' energy: -14.201 flat angles P-C4'-P energy: -5.663 tors. eta vs tors. theta energy: -16.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -209.559039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.559039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.559039 (E_RNA) where: Base-Base interactions energy: -143.063 where: short stacking energy: -59.289 Base-Backbone interact. energy: -0.947 local terms energy: -65.549162 where: bonds (distance) C4'-P energy: -11.318 bonds (distance) P-C4' energy: -13.538 flat angles C4'-P-C4' energy: -15.945 flat angles P-C4'-P energy: -10.659 tors. eta vs tors. theta energy: -14.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -188.807028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.807028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.807028 (E_RNA) where: Base-Base interactions energy: -127.179 where: short stacking energy: -53.800 Base-Backbone interact. energy: -0.022 local terms energy: -61.605733 where: bonds (distance) C4'-P energy: -14.893 bonds (distance) P-C4' energy: -14.112 flat angles C4'-P-C4' energy: -9.187 flat angles P-C4'-P energy: -10.734 tors. eta vs tors. theta energy: -12.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -296.573728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.573728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.573728 (E_RNA) where: Base-Base interactions energy: -206.417 where: short stacking energy: -93.846 Base-Backbone interact. energy: -0.855 local terms energy: -89.301931 where: bonds (distance) C4'-P energy: -15.618 bonds (distance) P-C4' energy: -16.856 flat angles C4'-P-C4' energy: -20.122 flat angles P-C4'-P energy: -14.235 tors. eta vs tors. theta energy: -22.470 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: 2, replica: 1 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -291.685888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.685888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.685888 (E_RNA) where: Base-Base interactions energy: -208.365 where: short stacking energy: -99.228 Base-Backbone interact. energy: -0.572 local terms energy: -82.749076 where: bonds (distance) C4'-P energy: -15.708 bonds (distance) P-C4' energy: -16.061 flat angles C4'-P-C4' energy: -19.398 flat angles P-C4'-P energy: -9.586 tors. eta vs tors. theta energy: -21.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -272.815791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.815791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.815791 (E_RNA) where: Base-Base interactions energy: -192.588 where: short stacking energy: -74.928 Base-Backbone interact. energy: 1.483 local terms energy: -81.711189 where: bonds (distance) C4'-P energy: -17.241 bonds (distance) P-C4' energy: -16.929 flat angles C4'-P-C4' energy: -19.437 flat angles P-C4'-P energy: -7.904 tors. eta vs tors. theta energy: -20.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -241.018135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.018135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.018135 (E_RNA) where: Base-Base interactions energy: -158.058 where: short stacking energy: -83.845 Base-Backbone interact. energy: -0.019 local terms energy: -82.941227 where: bonds (distance) C4'-P energy: -17.437 bonds (distance) P-C4' energy: -16.304 flat angles C4'-P-C4' energy: -19.085 flat angles P-C4'-P energy: -11.493 tors. eta vs tors. theta energy: -18.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -235.038957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.038957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.038957 (E_RNA) where: Base-Base interactions energy: -150.577 where: short stacking energy: -80.094 Base-Backbone interact. energy: -1.294 local terms energy: -83.168372 where: bonds (distance) C4'-P energy: -15.728 bonds (distance) P-C4' energy: -16.203 flat angles C4'-P-C4' energy: -18.293 flat angles P-C4'-P energy: -13.085 tors. eta vs tors. theta energy: -19.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -224.476022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.476022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.476022 (E_RNA) where: Base-Base interactions energy: -145.367 where: short stacking energy: -65.264 Base-Backbone interact. energy: -0.945 local terms energy: -78.163697 where: bonds (distance) C4'-P energy: -15.820 bonds (distance) P-C4' energy: -18.395 flat angles C4'-P-C4' energy: -17.261 flat angles P-C4'-P energy: -11.763 tors. eta vs tors. theta energy: -14.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -217.196961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.196961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.196961 (E_RNA) where: Base-Base interactions energy: -148.738 where: short stacking energy: -66.564 Base-Backbone interact. energy: 0.695 local terms energy: -69.153831 where: bonds (distance) C4'-P energy: -10.785 bonds (distance) P-C4' energy: -13.313 flat angles C4'-P-C4' energy: -17.752 flat angles P-C4'-P energy: -13.540 tors. eta vs tors. theta energy: -13.764 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: 8, replica: 10 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -223.658648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.658648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.658648 (E_RNA) where: Base-Base interactions energy: -144.898 where: short stacking energy: -70.529 Base-Backbone interact. energy: -0.062 local terms energy: -78.698999 where: bonds (distance) C4'-P energy: -15.656 bonds (distance) P-C4' energy: -16.908 flat angles C4'-P-C4' energy: -15.813 flat angles P-C4'-P energy: -9.561 tors. eta vs tors. theta energy: -20.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -202.263562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.263562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.263562 (E_RNA) where: Base-Base interactions energy: -135.208 where: short stacking energy: -55.552 Base-Backbone interact. energy: 0.321 local terms energy: -67.376172 where: bonds (distance) C4'-P energy: -16.971 bonds (distance) P-C4' energy: -13.410 flat angles C4'-P-C4' energy: -17.039 flat angles P-C4'-P energy: -8.631 tors. eta vs tors. theta energy: -11.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -193.022534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.022534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.022534 (E_RNA) where: Base-Base interactions energy: -133.773 where: short stacking energy: -57.066 Base-Backbone interact. energy: -0.147 local terms energy: -59.102796 where: bonds (distance) C4'-P energy: -15.100 bonds (distance) P-C4' energy: -14.451 flat angles C4'-P-C4' energy: -14.512 flat angles P-C4'-P energy: -4.636 tors. eta vs tors. theta energy: -10.403 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: 1 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -289.411136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.411136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.411136 (E_RNA) where: Base-Base interactions energy: -205.806 where: short stacking energy: -96.310 Base-Backbone interact. energy: -2.118 local terms energy: -81.487019 where: bonds (distance) C4'-P energy: -15.408 bonds (distance) P-C4' energy: -14.464 flat angles C4'-P-C4' energy: -19.960 flat angles P-C4'-P energy: -8.504 tors. eta vs tors. theta energy: -23.152 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: 8 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -286.405442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.405442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.405442 (E_RNA) where: Base-Base interactions energy: -198.970 where: short stacking energy: -86.827 Base-Backbone interact. energy: -0.170 local terms energy: -87.265704 where: bonds (distance) C4'-P energy: -16.177 bonds (distance) P-C4' energy: -19.598 flat angles C4'-P-C4' energy: -19.989 flat angles P-C4'-P energy: -9.521 tors. eta vs tors. theta energy: -21.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -282.867865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.867865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.867865 (E_RNA) where: Base-Base interactions energy: -202.059 where: short stacking energy: -79.623 Base-Backbone interact. energy: -1.135 local terms energy: -79.674406 where: bonds (distance) C4'-P energy: -17.462 bonds (distance) P-C4' energy: -18.244 flat angles C4'-P-C4' energy: -15.993 flat angles P-C4'-P energy: -8.217 tors. eta vs tors. theta energy: -19.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -237.696440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.696440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.696440 (E_RNA) where: Base-Base interactions energy: -162.287 where: short stacking energy: -75.794 Base-Backbone interact. energy: -0.404 local terms energy: -75.005109 where: bonds (distance) C4'-P energy: -16.317 bonds (distance) P-C4' energy: -17.912 flat angles C4'-P-C4' energy: -17.203 flat angles P-C4'-P energy: -8.088 tors. eta vs tors. theta energy: -15.485 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: 4 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -238.661020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.661020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.661020 (E_RNA) where: Base-Base interactions energy: -164.487 where: short stacking energy: -87.300 Base-Backbone interact. energy: -0.422 local terms energy: -73.752559 where: bonds (distance) C4'-P energy: -7.653 bonds (distance) P-C4' energy: -17.427 flat angles C4'-P-C4' energy: -17.125 flat angles P-C4'-P energy: -11.318 tors. eta vs tors. theta energy: -20.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -219.328875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.328875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.328875 (E_RNA) where: Base-Base interactions energy: -153.281 where: short stacking energy: -71.397 Base-Backbone interact. energy: 1.086 local terms energy: -67.133786 where: bonds (distance) C4'-P energy: -14.786 bonds (distance) P-C4' energy: -8.681 flat angles C4'-P-C4' energy: -15.773 flat angles P-C4'-P energy: -6.792 tors. eta vs tors. theta energy: -21.101 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: 432 Temperature: 1.200000 Total energy: -224.232821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.232821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.232821 (E_RNA) where: Base-Base interactions energy: -155.763 where: short stacking energy: -73.501 Base-Backbone interact. energy: -0.009 local terms energy: -68.460970 where: bonds (distance) C4'-P energy: -13.408 bonds (distance) P-C4' energy: -14.515 flat angles C4'-P-C4' energy: -10.293 flat angles P-C4'-P energy: -10.704 tors. eta vs tors. theta energy: -19.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -210.302456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.302456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.302456 (E_RNA) where: Base-Base interactions energy: -140.464 where: short stacking energy: -60.578 Base-Backbone interact. energy: -0.045 local terms energy: -69.793538 where: bonds (distance) C4'-P energy: -19.643 bonds (distance) P-C4' energy: -14.412 flat angles C4'-P-C4' energy: -17.890 flat angles P-C4'-P energy: -5.461 tors. eta vs tors. theta energy: -12.388 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: 9, replica: 5 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -206.240313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.240313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.240313 (E_RNA) where: Base-Base interactions energy: -130.720 where: short stacking energy: -56.615 Base-Backbone interact. energy: -0.093 local terms energy: -75.427883 where: bonds (distance) C4'-P energy: -19.013 bonds (distance) P-C4' energy: -19.061 flat angles C4'-P-C4' energy: -16.536 flat angles P-C4'-P energy: -9.010 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: 10, replica: 6 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -201.126794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.126794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.126794 (E_RNA) where: Base-Base interactions energy: -131.014 where: short stacking energy: -59.249 Base-Backbone interact. energy: -0.268 local terms energy: -69.844591 where: bonds (distance) C4'-P energy: -13.151 bonds (distance) P-C4' energy: -16.275 flat angles C4'-P-C4' energy: -16.214 flat angles P-C4'-P energy: -9.735 tors. eta vs tors. theta energy: -14.470 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: 1 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -297.625663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.625663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.625663 (E_RNA) where: Base-Base interactions energy: -205.507 where: short stacking energy: -90.944 Base-Backbone interact. energy: -1.973 local terms energy: -90.145719 where: bonds (distance) C4'-P energy: -17.701 bonds (distance) P-C4' energy: -16.690 flat angles C4'-P-C4' energy: -18.583 flat angles P-C4'-P energy: -13.185 tors. eta vs tors. theta energy: -23.987 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: 9 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -285.908282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.908282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.908282 (E_RNA) where: Base-Base interactions energy: -201.317 where: short stacking energy: -92.673 Base-Backbone interact. energy: -0.508 local terms energy: -84.083599 where: bonds (distance) C4'-P energy: -11.374 bonds (distance) P-C4' energy: -18.850 flat angles C4'-P-C4' energy: -20.499 flat angles P-C4'-P energy: -12.007 tors. eta vs tors. theta energy: -21.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -277.046897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.046897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.046897 (E_RNA) where: Base-Base interactions energy: -196.335 where: short stacking energy: -89.840 Base-Backbone interact. energy: -1.680 local terms energy: -79.032003 where: bonds (distance) C4'-P energy: -12.054 bonds (distance) P-C4' energy: -19.728 flat angles C4'-P-C4' energy: -17.182 flat angles P-C4'-P energy: -10.796 tors. eta vs tors. theta energy: -19.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -241.088688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.088688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.088688 (E_RNA) where: Base-Base interactions energy: -158.922 where: short stacking energy: -78.255 Base-Backbone interact. energy: -0.083 local terms energy: -82.083525 where: bonds (distance) C4'-P energy: -18.136 bonds (distance) P-C4' energy: -19.287 flat angles C4'-P-C4' energy: -17.259 flat angles P-C4'-P energy: -11.164 tors. eta vs tors. theta energy: -16.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -228.435579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.435579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.435579 (E_RNA) where: Base-Base interactions energy: -161.950 where: short stacking energy: -75.452 Base-Backbone interact. energy: -0.058 local terms energy: -66.427362 where: bonds (distance) C4'-P energy: -16.099 bonds (distance) P-C4' energy: -12.597 flat angles C4'-P-C4' energy: -13.074 flat angles P-C4'-P energy: -6.974 tors. eta vs tors. theta energy: -17.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -230.310409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.310409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.310409 (E_RNA) where: Base-Base interactions energy: -156.606 where: short stacking energy: -74.183 Base-Backbone interact. energy: 1.455 local terms energy: -75.159393 where: bonds (distance) C4'-P energy: -16.997 bonds (distance) P-C4' energy: -19.633 flat angles C4'-P-C4' energy: -16.434 flat angles P-C4'-P energy: -5.183 tors. eta vs tors. theta energy: -16.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -200.051161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.051161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.051161 (E_RNA) where: Base-Base interactions energy: -132.641 where: short stacking energy: -67.837 Base-Backbone interact. energy: -0.311 local terms energy: -67.099514 where: bonds (distance) C4'-P energy: -13.042 bonds (distance) P-C4' energy: -13.712 flat angles C4'-P-C4' energy: -18.520 flat angles P-C4'-P energy: -10.312 tors. eta vs tors. theta energy: -11.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -218.606139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.606139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.606139 (E_RNA) where: Base-Base interactions energy: -148.202 where: short stacking energy: -64.831 Base-Backbone interact. energy: -0.282 local terms energy: -70.121588 where: bonds (distance) C4'-P energy: -12.269 bonds (distance) P-C4' energy: -13.270 flat angles C4'-P-C4' energy: -14.396 flat angles P-C4'-P energy: -10.074 tors. eta vs tors. theta energy: -20.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -207.710933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.710933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.710933 (E_RNA) where: Base-Base interactions energy: -134.067 where: short stacking energy: -66.539 Base-Backbone interact. energy: -0.027 local terms energy: -73.616216 where: bonds (distance) C4'-P energy: -13.169 bonds (distance) P-C4' energy: -13.303 flat angles C4'-P-C4' energy: -16.700 flat angles P-C4'-P energy: -12.530 tors. eta vs tors. theta energy: -17.914 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: 6 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -205.933320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.933320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.933320 (E_RNA) where: Base-Base interactions energy: -139.185 where: short stacking energy: -68.600 Base-Backbone interact. energy: 1.790 local terms energy: -68.538349 where: bonds (distance) C4'-P energy: -12.662 bonds (distance) P-C4' energy: -14.501 flat angles C4'-P-C4' energy: -17.991 flat angles P-C4'-P energy: -7.531 tors. eta vs tors. theta energy: -15.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -291.484141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.484141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.484141 (E_RNA) where: Base-Base interactions energy: -202.631 where: short stacking energy: -92.269 Base-Backbone interact. energy: -1.176 local terms energy: -87.677344 where: bonds (distance) C4'-P energy: -16.273 bonds (distance) P-C4' energy: -19.644 flat angles C4'-P-C4' energy: -17.744 flat angles P-C4'-P energy: -9.563 tors. eta vs tors. theta energy: -24.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -287.668917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.668917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.668917 (E_RNA) where: Base-Base interactions energy: -201.973 where: short stacking energy: -92.652 Base-Backbone interact. energy: -0.069 local terms energy: -85.626882 where: bonds (distance) C4'-P energy: -19.455 bonds (distance) P-C4' energy: -16.384 flat angles C4'-P-C4' energy: -20.468 flat angles P-C4'-P energy: -6.833 tors. eta vs tors. theta energy: -22.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -248.092556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.092556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.092556 (E_RNA) where: Base-Base interactions energy: -170.512 where: short stacking energy: -80.148 Base-Backbone interact. energy: -0.347 local terms energy: -77.234368 where: bonds (distance) C4'-P energy: -17.735 bonds (distance) P-C4' energy: -14.954 flat angles C4'-P-C4' energy: -16.500 flat angles P-C4'-P energy: -7.182 tors. eta vs tors. theta energy: -20.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -242.647351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.647351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.647351 (E_RNA) where: Base-Base interactions energy: -169.279 where: short stacking energy: -68.440 Base-Backbone interact. energy: -0.728 local terms energy: -72.640171 where: bonds (distance) C4'-P energy: -14.719 bonds (distance) P-C4' energy: -16.809 flat angles C4'-P-C4' energy: -16.556 flat angles P-C4'-P energy: -11.090 tors. eta vs tors. theta energy: -13.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -243.773483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.773483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.773483 (E_RNA) where: Base-Base interactions energy: -157.911 where: short stacking energy: -81.298 Base-Backbone interact. energy: -1.280 local terms energy: -84.583182 where: bonds (distance) C4'-P energy: -15.523 bonds (distance) P-C4' energy: -19.756 flat angles C4'-P-C4' energy: -18.319 flat angles P-C4'-P energy: -10.426 tors. eta vs tors. theta energy: -20.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -213.373576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.373576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.373576 (E_RNA) where: Base-Base interactions energy: -146.283 where: short stacking energy: -62.118 Base-Backbone interact. energy: 0.575 local terms energy: -67.666062 where: bonds (distance) C4'-P energy: -14.512 bonds (distance) P-C4' energy: -15.331 flat angles C4'-P-C4' energy: -15.955 flat angles P-C4'-P energy: -8.867 tors. eta vs tors. theta energy: -13.001 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: 7 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -223.924964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.924964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.924964 (E_RNA) where: Base-Base interactions energy: -154.915 where: short stacking energy: -75.098 Base-Backbone interact. energy: -0.877 local terms energy: -68.133442 where: bonds (distance) C4'-P energy: -12.878 bonds (distance) P-C4' energy: -16.837 flat angles C4'-P-C4' energy: -14.779 flat angles P-C4'-P energy: -9.548 tors. eta vs tors. theta energy: -14.092 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: 2 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -207.100161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.100161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.100161 (E_RNA) where: Base-Base interactions energy: -139.460 where: short stacking energy: -68.578 Base-Backbone interact. energy: -0.551 local terms energy: -67.089183 where: bonds (distance) C4'-P energy: -13.568 bonds (distance) P-C4' energy: -14.623 flat angles C4'-P-C4' energy: -17.705 flat angles P-C4'-P energy: -7.229 tors. eta vs tors. theta energy: -13.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -202.985683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.985683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.985683 (E_RNA) where: Base-Base interactions energy: -129.731 where: short stacking energy: -53.300 Base-Backbone interact. energy: -0.623 local terms energy: -72.632240 where: bonds (distance) C4'-P energy: -18.937 bonds (distance) P-C4' energy: -16.350 flat angles C4'-P-C4' energy: -19.220 flat angles P-C4'-P energy: -6.894 tors. eta vs tors. theta energy: -11.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -228.169973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.169973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.169973 (E_RNA) where: Base-Base interactions energy: -157.534 where: short stacking energy: -64.459 Base-Backbone interact. energy: -1.209 local terms energy: -69.426981 where: bonds (distance) C4'-P energy: -17.792 bonds (distance) P-C4' energy: -17.104 flat angles C4'-P-C4' energy: -15.817 flat angles P-C4'-P energy: -7.762 tors. eta vs tors. theta energy: -10.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -289.375441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.375441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.375441 (E_RNA) where: Base-Base interactions energy: -205.495 where: short stacking energy: -91.451 Base-Backbone interact. energy: -0.006 local terms energy: -83.874103 where: bonds (distance) C4'-P energy: -19.902 bonds (distance) P-C4' energy: -14.084 flat angles C4'-P-C4' energy: -16.919 flat angles P-C4'-P energy: -11.124 tors. eta vs tors. theta energy: -21.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -294.297230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.297230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.297230 (E_RNA) where: Base-Base interactions energy: -203.613 where: short stacking energy: -87.670 Base-Backbone interact. energy: -2.167 local terms energy: -88.517238 where: bonds (distance) C4'-P energy: -16.236 bonds (distance) P-C4' energy: -17.510 flat angles C4'-P-C4' energy: -20.161 flat angles P-C4'-P energy: -12.896 tors. eta vs tors. theta energy: -21.715 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: 4 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -242.134037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.134037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.134037 (E_RNA) where: Base-Base interactions energy: -158.263 where: short stacking energy: -77.896 Base-Backbone interact. energy: -0.285 local terms energy: -83.586444 where: bonds (distance) C4'-P energy: -14.151 bonds (distance) P-C4' energy: -18.439 flat angles C4'-P-C4' energy: -18.739 flat angles P-C4'-P energy: -12.395 tors. eta vs tors. theta energy: -19.862 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: 8 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -237.757251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.757251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.757251 (E_RNA) where: Base-Base interactions energy: -162.156 where: short stacking energy: -84.230 Base-Backbone interact. energy: -0.005 local terms energy: -75.596393 where: bonds (distance) C4'-P energy: -18.367 bonds (distance) P-C4' energy: -14.214 flat angles C4'-P-C4' energy: -13.874 flat angles P-C4'-P energy: -9.152 tors. eta vs tors. theta energy: -19.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -247.743535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.743535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.743535 (E_RNA) where: Base-Base interactions energy: -170.355 where: short stacking energy: -85.527 Base-Backbone interact. energy: -0.429 local terms energy: -76.959386 where: bonds (distance) C4'-P energy: -13.068 bonds (distance) P-C4' energy: -17.014 flat angles C4'-P-C4' energy: -18.706 flat angles P-C4'-P energy: -10.279 tors. eta vs tors. theta energy: -17.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -221.626088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.626088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.626088 (E_RNA) where: Base-Base interactions energy: -149.713 where: short stacking energy: -72.460 Base-Backbone interact. energy: -0.176 local terms energy: -71.736657 where: bonds (distance) C4'-P energy: -12.771 bonds (distance) P-C4' energy: -17.367 flat angles C4'-P-C4' energy: -17.076 flat angles P-C4'-P energy: -7.961 tors. eta vs tors. theta energy: -16.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -206.054478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.054478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.054478 (E_RNA) where: Base-Base interactions energy: -130.308 where: short stacking energy: -61.545 Base-Backbone interact. energy: -0.301 local terms energy: -75.444944 where: bonds (distance) C4'-P energy: -18.438 bonds (distance) P-C4' energy: -18.582 flat angles C4'-P-C4' energy: -13.366 flat angles P-C4'-P energy: -7.336 tors. eta vs tors. theta energy: -17.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -209.201339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.201339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.201339 (E_RNA) where: Base-Base interactions energy: -135.517 where: short stacking energy: -75.580 Base-Backbone interact. energy: -0.230 local terms energy: -73.454387 where: bonds (distance) C4'-P energy: -15.536 bonds (distance) P-C4' energy: -17.034 flat angles C4'-P-C4' energy: -15.808 flat angles P-C4'-P energy: -9.823 tors. eta vs tors. theta energy: -15.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -205.118447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.118447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.118447 (E_RNA) where: Base-Base interactions energy: -133.565 where: short stacking energy: -62.982 Base-Backbone interact. energy: 0.427 local terms energy: -71.981170 where: bonds (distance) C4'-P energy: -14.086 bonds (distance) P-C4' energy: -15.277 flat angles C4'-P-C4' energy: -13.196 flat angles P-C4'-P energy: -11.740 tors. eta vs tors. theta energy: -17.682 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: 10, replica: 5 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -204.444724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.444724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.444724 (E_RNA) where: Base-Base interactions energy: -145.418 where: short stacking energy: -61.048 Base-Backbone interact. energy: 1.151 local terms energy: -60.177851 where: bonds (distance) C4'-P energy: -15.353 bonds (distance) P-C4' energy: -16.900 flat angles C4'-P-C4' energy: -13.630 flat angles P-C4'-P energy: -4.233 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: 1, replica: 1 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -290.598059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.598059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.598059 (E_RNA) where: Base-Base interactions energy: -201.833 where: short stacking energy: -88.331 Base-Backbone interact. energy: -0.344 local terms energy: -88.420497 where: bonds (distance) C4'-P energy: -18.703 bonds (distance) P-C4' energy: -19.524 flat angles C4'-P-C4' energy: -19.347 flat angles P-C4'-P energy: -10.655 tors. eta vs tors. theta energy: -20.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -278.937935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.937935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.937935 (E_RNA) where: Base-Base interactions energy: -197.253 where: short stacking energy: -88.818 Base-Backbone interact. energy: -1.633 local terms energy: -80.052581 where: bonds (distance) C4'-P energy: -16.633 bonds (distance) P-C4' energy: -16.355 flat angles C4'-P-C4' energy: -19.891 flat angles P-C4'-P energy: -8.758 tors. eta vs tors. theta energy: -18.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -228.383910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.383910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.383910 (E_RNA) where: Base-Base interactions energy: -152.786 where: short stacking energy: -72.774 Base-Backbone interact. energy: -0.234 local terms energy: -75.364221 where: bonds (distance) C4'-P energy: -13.412 bonds (distance) P-C4' energy: -17.653 flat angles C4'-P-C4' energy: -17.197 flat angles P-C4'-P energy: -10.662 tors. eta vs tors. theta energy: -16.439 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: 4 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -245.909845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.909845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.909845 (E_RNA) where: Base-Base interactions energy: -171.247 where: short stacking energy: -81.887 Base-Backbone interact. energy: 0.366 local terms energy: -75.028762 where: bonds (distance) C4'-P energy: -16.262 bonds (distance) P-C4' energy: -15.497 flat angles C4'-P-C4' energy: -17.324 flat angles P-C4'-P energy: -4.721 tors. eta vs tors. theta energy: -21.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -230.775251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.775251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.775251 (E_RNA) where: Base-Base interactions energy: -152.933 where: short stacking energy: -75.287 Base-Backbone interact. energy: -0.015 local terms energy: -77.828131 where: bonds (distance) C4'-P energy: -17.162 bonds (distance) P-C4' energy: -16.668 flat angles C4'-P-C4' energy: -18.911 flat angles P-C4'-P energy: -6.009 tors. eta vs tors. theta energy: -19.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -240.133759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.133759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.133759 (E_RNA) where: Base-Base interactions energy: -166.222 where: short stacking energy: -88.377 Base-Backbone interact. energy: -0.003 local terms energy: -73.908763 where: bonds (distance) C4'-P energy: -17.234 bonds (distance) P-C4' energy: -15.463 flat angles C4'-P-C4' energy: -15.497 flat angles P-C4'-P energy: -6.961 tors. eta vs tors. theta energy: -18.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -209.486172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.486172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.486172 (E_RNA) where: Base-Base interactions energy: -135.140 where: short stacking energy: -64.599 Base-Backbone interact. energy: -0.439 local terms energy: -73.906732 where: bonds (distance) C4'-P energy: -17.966 bonds (distance) P-C4' energy: -18.988 flat angles C4'-P-C4' energy: -16.772 flat angles P-C4'-P energy: -11.661 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: 3 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -212.969550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.969550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.969550 (E_RNA) where: Base-Base interactions energy: -140.089 where: short stacking energy: -63.862 Base-Backbone interact. energy: -1.012 local terms energy: -71.869147 where: bonds (distance) C4'-P energy: -18.442 bonds (distance) P-C4' energy: -17.935 flat angles C4'-P-C4' energy: -15.022 flat angles P-C4'-P energy: -5.194 tors. eta vs tors. theta energy: -15.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -190.713089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.713089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.713089 (E_RNA) where: Base-Base interactions energy: -137.165 where: short stacking energy: -56.977 Base-Backbone interact. energy: -0.935 local terms energy: -52.612871 where: bonds (distance) C4'-P energy: -13.992 bonds (distance) P-C4' energy: -12.314 flat angles C4'-P-C4' energy: -17.890 flat angles P-C4'-P energy: -3.369 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: 2 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -189.808900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.808900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.808900 (E_RNA) where: Base-Base interactions energy: -129.406 where: short stacking energy: -58.274 Base-Backbone interact. energy: -0.109 local terms energy: -60.294633 where: bonds (distance) C4'-P energy: -12.585 bonds (distance) P-C4' energy: -13.438 flat angles C4'-P-C4' energy: -16.091 flat angles P-C4'-P energy: -6.095 tors. eta vs tors. theta energy: -12.085 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: 1 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -287.458353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.458353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.458353 (E_RNA) where: Base-Base interactions energy: -201.886 where: short stacking energy: -86.557 Base-Backbone interact. energy: -1.674 local terms energy: -83.899006 where: bonds (distance) C4'-P energy: -14.446 bonds (distance) P-C4' energy: -18.011 flat angles C4'-P-C4' energy: -16.875 flat angles P-C4'-P energy: -13.722 tors. eta vs tors. theta energy: -20.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -281.747596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.747596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.747596 (E_RNA) where: Base-Base interactions energy: -200.167 where: short stacking energy: -81.669 Base-Backbone interact. energy: -1.138 local terms energy: -80.442457 where: bonds (distance) C4'-P energy: -16.224 bonds (distance) P-C4' energy: -17.769 flat angles C4'-P-C4' energy: -19.431 flat angles P-C4'-P energy: -7.418 tors. eta vs tors. theta energy: -19.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -250.084477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.084477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.084477 (E_RNA) where: Base-Base interactions energy: -166.957 where: short stacking energy: -82.077 Base-Backbone interact. energy: -0.351 local terms energy: -82.776207 where: bonds (distance) C4'-P energy: -17.188 bonds (distance) P-C4' energy: -16.265 flat angles C4'-P-C4' energy: -17.903 flat angles P-C4'-P energy: -10.541 tors. eta vs tors. theta energy: -20.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -233.554971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.554971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.554971 (E_RNA) where: Base-Base interactions energy: -158.135 where: short stacking energy: -78.077 Base-Backbone interact. energy: -0.021 local terms energy: -75.399175 where: bonds (distance) C4'-P energy: -13.776 bonds (distance) P-C4' energy: -17.414 flat angles C4'-P-C4' energy: -16.968 flat angles P-C4'-P energy: -12.197 tors. eta vs tors. theta energy: -15.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -236.767462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.767462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.767462 (E_RNA) where: Base-Base interactions energy: -160.019 where: short stacking energy: -78.837 Base-Backbone interact. energy: -0.141 local terms energy: -76.608024 where: bonds (distance) C4'-P energy: -17.310 bonds (distance) P-C4' energy: -20.803 flat angles C4'-P-C4' energy: -19.192 flat angles P-C4'-P energy: -4.939 tors. eta vs tors. theta energy: -14.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -227.103225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.103225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.103225 (E_RNA) where: Base-Base interactions energy: -149.838 where: short stacking energy: -66.348 Base-Backbone interact. energy: -1.099 local terms energy: -76.166200 where: bonds (distance) C4'-P energy: -16.745 bonds (distance) P-C4' energy: -15.521 flat angles C4'-P-C4' energy: -17.438 flat angles P-C4'-P energy: -9.257 tors. eta vs tors. theta energy: -17.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -214.864822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.864822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.864822 (E_RNA) where: Base-Base interactions energy: -151.911 where: short stacking energy: -73.297 Base-Backbone interact. energy: 1.034 local terms energy: -63.988157 where: bonds (distance) C4'-P energy: -14.774 bonds (distance) P-C4' energy: -19.634 flat angles C4'-P-C4' energy: -13.559 flat angles P-C4'-P energy: -3.244 tors. eta vs tors. theta energy: -12.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -231.062281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.062281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.062281 (E_RNA) where: Base-Base interactions energy: -162.432 where: short stacking energy: -76.670 Base-Backbone interact. energy: -0.575 local terms energy: -68.055463 where: bonds (distance) C4'-P energy: -12.368 bonds (distance) P-C4' energy: -10.328 flat angles C4'-P-C4' energy: -17.912 flat angles P-C4'-P energy: -9.546 tors. eta vs tors. theta energy: -17.901 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: 5 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -196.213045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.213045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.213045 (E_RNA) where: Base-Base interactions energy: -135.025 where: short stacking energy: -63.523 Base-Backbone interact. energy: -0.034 local terms energy: -61.154228 where: bonds (distance) C4'-P energy: -14.674 bonds (distance) P-C4' energy: -8.006 flat angles C4'-P-C4' energy: -13.091 flat angles P-C4'-P energy: -10.272 tors. eta vs tors. theta energy: -15.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -193.111488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.111488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.111488 (E_RNA) where: Base-Base interactions energy: -130.483 where: short stacking energy: -60.450 Base-Backbone interact. energy: -0.132 local terms energy: -62.496756 where: bonds (distance) C4'-P energy: -10.888 bonds (distance) P-C4' energy: -14.546 flat angles C4'-P-C4' energy: -15.252 flat angles P-C4'-P energy: -10.735 tors. eta vs tors. theta energy: -11.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -289.191298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.191298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.191298 (E_RNA) where: Base-Base interactions energy: -199.590 where: short stacking energy: -87.499 Base-Backbone interact. energy: -3.546 local terms energy: -86.055913 where: bonds (distance) C4'-P energy: -17.001 bonds (distance) P-C4' energy: -14.331 flat angles C4'-P-C4' energy: -15.107 flat angles P-C4'-P energy: -15.395 tors. eta vs tors. theta energy: -24.222 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: 2, replica: 9 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -288.023976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.023976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.023976 (E_RNA) where: Base-Base interactions energy: -206.999 where: short stacking energy: -91.729 Base-Backbone interact. energy: -0.082 local terms energy: -80.943640 where: bonds (distance) C4'-P energy: -15.839 bonds (distance) P-C4' energy: -16.108 flat angles C4'-P-C4' energy: -18.362 flat angles P-C4'-P energy: -8.035 tors. eta vs tors. theta energy: -22.601 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: 438 Temperature: 1.000000 Total energy: -251.411757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.411757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.411757 (E_RNA) where: Base-Base interactions energy: -181.378 where: short stacking energy: -71.956 Base-Backbone interact. energy: -1.299 local terms energy: -68.734520 where: bonds (distance) C4'-P energy: -13.961 bonds (distance) P-C4' energy: -18.597 flat angles C4'-P-C4' energy: -14.905 flat angles P-C4'-P energy: -5.949 tors. eta vs tors. theta energy: -15.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -227.184576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.184576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.184576 (E_RNA) where: Base-Base interactions energy: -148.837 where: short stacking energy: -70.126 Base-Backbone interact. energy: 1.238 local terms energy: -79.585790 where: bonds (distance) C4'-P energy: -13.092 bonds (distance) P-C4' energy: -19.488 flat angles C4'-P-C4' energy: -16.531 flat angles P-C4'-P energy: -12.977 tors. eta vs tors. theta energy: -17.498 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: 10 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -228.330157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.330157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.330157 (E_RNA) where: Base-Base interactions energy: -154.311 where: short stacking energy: -70.434 Base-Backbone interact. energy: 1.930 local terms energy: -75.948895 where: bonds (distance) C4'-P energy: -18.918 bonds (distance) P-C4' energy: -16.832 flat angles C4'-P-C4' energy: -15.059 flat angles P-C4'-P energy: -11.939 tors. eta vs tors. theta energy: -13.201 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: 6, replica: 4 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -229.167408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.167408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.167408 (E_RNA) where: Base-Base interactions energy: -153.089 where: short stacking energy: -75.681 Base-Backbone interact. energy: -0.161 local terms energy: -75.917990 where: bonds (distance) C4'-P energy: -16.549 bonds (distance) P-C4' energy: -20.272 flat angles C4'-P-C4' energy: -14.784 flat angles P-C4'-P energy: -4.153 tors. eta vs tors. theta energy: -20.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -215.381691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.381691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.381691 (E_RNA) where: Base-Base interactions energy: -148.633 where: short stacking energy: -58.899 Base-Backbone interact. energy: -0.144 local terms energy: -66.604472 where: bonds (distance) C4'-P energy: -11.914 bonds (distance) P-C4' energy: -15.175 flat angles C4'-P-C4' energy: -14.395 flat angles P-C4'-P energy: -9.046 tors. eta vs tors. theta energy: -16.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -204.923736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.923736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.923736 (E_RNA) where: Base-Base interactions energy: -132.310 where: short stacking energy: -63.460 Base-Backbone interact. energy: -0.027 local terms energy: -72.586080 where: bonds (distance) C4'-P energy: -14.152 bonds (distance) P-C4' energy: -15.196 flat angles C4'-P-C4' energy: -18.393 flat angles P-C4'-P energy: -10.880 tors. eta vs tors. theta energy: -13.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -199.054903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.054903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.054903 (E_RNA) where: Base-Base interactions energy: -131.094 where: short stacking energy: -56.051 Base-Backbone interact. energy: -0.105 local terms energy: -67.855415 where: bonds (distance) C4'-P energy: -18.412 bonds (distance) P-C4' energy: -17.036 flat angles C4'-P-C4' energy: -12.064 flat angles P-C4'-P energy: -6.838 tors. eta vs tors. theta energy: -13.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -202.509921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.509921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.509921 (E_RNA) where: Base-Base interactions energy: -139.268 where: short stacking energy: -70.024 Base-Backbone interact. energy: -1.202 local terms energy: -62.039209 where: bonds (distance) C4'-P energy: -14.483 bonds (distance) P-C4' energy: -11.264 flat angles C4'-P-C4' energy: -11.551 flat angles P-C4'-P energy: -11.066 tors. eta vs tors. theta energy: -13.676 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: 1 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -287.481899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.481899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.481899 (E_RNA) where: Base-Base interactions energy: -197.441 where: short stacking energy: -84.647 Base-Backbone interact. energy: -3.220 local terms energy: -86.820235 where: bonds (distance) C4'-P energy: -15.726 bonds (distance) P-C4' energy: -20.862 flat angles C4'-P-C4' energy: -18.004 flat angles P-C4'-P energy: -11.987 tors. eta vs tors. theta energy: -20.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -283.083104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.083104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.083104 (E_RNA) where: Base-Base interactions energy: -205.529 where: short stacking energy: -87.619 Base-Backbone interact. energy: -2.549 local terms energy: -75.005014 where: bonds (distance) C4'-P energy: -12.605 bonds (distance) P-C4' energy: -15.437 flat angles C4'-P-C4' energy: -14.262 flat angles P-C4'-P energy: -9.393 tors. eta vs tors. theta energy: -23.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -239.623857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.623857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.623857 (E_RNA) where: Base-Base interactions energy: -167.641 where: short stacking energy: -74.847 Base-Backbone interact. energy: 0.334 local terms energy: -72.316015 where: bonds (distance) C4'-P energy: -11.653 bonds (distance) P-C4' energy: -18.083 flat angles C4'-P-C4' energy: -15.862 flat angles P-C4'-P energy: -11.188 tors. eta vs tors. theta energy: -15.530 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: 4, replica: 10 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -223.820556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.820556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.820556 (E_RNA) where: Base-Base interactions energy: -148.006 where: short stacking energy: -71.479 Base-Backbone interact. energy: -1.293 local terms energy: -74.521470 where: bonds (distance) C4'-P energy: -14.927 bonds (distance) P-C4' energy: -16.613 flat angles C4'-P-C4' energy: -16.864 flat angles P-C4'-P energy: -8.162 tors. eta vs tors. theta energy: -17.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -223.564018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.564018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.564018 (E_RNA) where: Base-Base interactions energy: -153.359 where: short stacking energy: -75.316 Base-Backbone interact. energy: -0.475 local terms energy: -69.730404 where: bonds (distance) C4'-P energy: -15.204 bonds (distance) P-C4' energy: -13.990 flat angles C4'-P-C4' energy: -18.033 flat angles P-C4'-P energy: -3.400 tors. eta vs tors. theta energy: -19.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -232.234274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.234274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.234274 (E_RNA) where: Base-Base interactions energy: -153.943 where: short stacking energy: -76.018 Base-Backbone interact. energy: -0.093 local terms energy: -78.198424 where: bonds (distance) C4'-P energy: -14.857 bonds (distance) P-C4' energy: -17.528 flat angles C4'-P-C4' energy: -16.089 flat angles P-C4'-P energy: -10.865 tors. eta vs tors. theta energy: -18.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -205.780161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.780161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.780161 (E_RNA) where: Base-Base interactions energy: -139.464 where: short stacking energy: -67.843 Base-Backbone interact. energy: -0.503 local terms energy: -65.812702 where: bonds (distance) C4'-P energy: -13.369 bonds (distance) P-C4' energy: -12.420 flat angles C4'-P-C4' energy: -14.257 flat angles P-C4'-P energy: -10.574 tors. eta vs tors. theta energy: -15.193 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: 3 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -214.437711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.437711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.437711 (E_RNA) where: Base-Base interactions energy: -141.101 where: short stacking energy: -64.138 Base-Backbone interact. energy: -0.295 local terms energy: -73.041908 where: bonds (distance) C4'-P energy: -17.295 bonds (distance) P-C4' energy: -15.926 flat angles C4'-P-C4' energy: -19.408 flat angles P-C4'-P energy: -9.479 tors. eta vs tors. theta energy: -10.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -211.678595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.678595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.678595 (E_RNA) where: Base-Base interactions energy: -147.397 where: short stacking energy: -67.999 Base-Backbone interact. energy: -0.190 local terms energy: -64.091913 where: bonds (distance) C4'-P energy: -13.473 bonds (distance) P-C4' energy: -13.029 flat angles C4'-P-C4' energy: -14.989 flat angles P-C4'-P energy: -6.359 tors. eta vs tors. theta energy: -16.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -203.521034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.521034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.521034 (E_RNA) where: Base-Base interactions energy: -128.186 where: short stacking energy: -53.653 Base-Backbone interact. energy: -0.198 local terms energy: -75.136839 where: bonds (distance) C4'-P energy: -16.085 bonds (distance) P-C4' energy: -17.604 flat angles C4'-P-C4' energy: -20.768 flat angles P-C4'-P energy: -8.404 tors. eta vs tors. theta energy: -12.276 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: 1 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -288.471931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.471931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.471931 (E_RNA) where: Base-Base interactions energy: -207.104 where: short stacking energy: -92.640 Base-Backbone interact. energy: -0.318 local terms energy: -81.049707 where: bonds (distance) C4'-P energy: -14.894 bonds (distance) P-C4' energy: -15.850 flat angles C4'-P-C4' energy: -18.575 flat angles P-C4'-P energy: -9.535 tors. eta vs tors. theta energy: -22.195 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: 2, replica: 9 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -263.512312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.512312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.512312 (E_RNA) where: Base-Base interactions energy: -188.930 where: short stacking energy: -81.524 Base-Backbone interact. energy: -1.488 local terms energy: -73.094273 where: bonds (distance) C4'-P energy: -12.328 bonds (distance) P-C4' energy: -17.229 flat angles C4'-P-C4' energy: -14.287 flat angles P-C4'-P energy: -9.239 tors. eta vs tors. theta energy: -20.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -238.814717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.814717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.814717 (E_RNA) where: Base-Base interactions energy: -158.535 where: short stacking energy: -76.460 Base-Backbone interact. energy: 0.908 local terms energy: -81.187274 where: bonds (distance) C4'-P energy: -16.606 bonds (distance) P-C4' energy: -17.525 flat angles C4'-P-C4' energy: -16.735 flat angles P-C4'-P energy: -11.933 tors. eta vs tors. theta energy: -18.388 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: 8 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -230.331303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.331303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.331303 (E_RNA) where: Base-Base interactions energy: -154.768 where: short stacking energy: -76.950 Base-Backbone interact. energy: 0.417 local terms energy: -75.980432 where: bonds (distance) C4'-P energy: -19.360 bonds (distance) P-C4' energy: -18.573 flat angles C4'-P-C4' energy: -16.301 flat angles P-C4'-P energy: -7.837 tors. eta vs tors. theta energy: -13.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -245.667009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.667009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.667009 (E_RNA) where: Base-Base interactions energy: -168.755 where: short stacking energy: -70.001 Base-Backbone interact. energy: -0.798 local terms energy: -76.114140 where: bonds (distance) C4'-P energy: -16.404 bonds (distance) P-C4' energy: -15.937 flat angles C4'-P-C4' energy: -17.743 flat angles P-C4'-P energy: -8.940 tors. eta vs tors. theta energy: -17.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -234.237914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.237914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.237914 (E_RNA) where: Base-Base interactions energy: -156.426 where: short stacking energy: -73.962 Base-Backbone interact. energy: -0.568 local terms energy: -77.243762 where: bonds (distance) C4'-P energy: -16.095 bonds (distance) P-C4' energy: -17.681 flat angles C4'-P-C4' energy: -18.719 flat angles P-C4'-P energy: -7.038 tors. eta vs tors. theta energy: -17.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -216.256452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.256452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.256452 (E_RNA) where: Base-Base interactions energy: -139.090 where: short stacking energy: -63.773 Base-Backbone interact. energy: -0.011 local terms energy: -77.155666 where: bonds (distance) C4'-P energy: -12.050 bonds (distance) P-C4' energy: -17.476 flat angles C4'-P-C4' energy: -19.560 flat angles P-C4'-P energy: -8.030 tors. eta vs tors. theta energy: -20.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -206.059249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.059249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.059249 (E_RNA) where: Base-Base interactions energy: -139.579 where: short stacking energy: -66.532 Base-Backbone interact. energy: -0.251 local terms energy: -66.228829 where: bonds (distance) C4'-P energy: -10.556 bonds (distance) P-C4' energy: -18.175 flat angles C4'-P-C4' energy: -9.341 flat angles P-C4'-P energy: -12.404 tors. eta vs tors. theta energy: -15.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -192.639318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.639318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.639318 (E_RNA) where: Base-Base interactions energy: -140.175 where: short stacking energy: -66.107 Base-Backbone interact. energy: -1.622 local terms energy: -50.841979 where: bonds (distance) C4'-P energy: -14.748 bonds (distance) P-C4' energy: -13.624 flat angles C4'-P-C4' energy: -12.194 flat angles P-C4'-P energy: -1.165 tors. eta vs tors. theta energy: -9.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -189.412516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.412516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.412516 (E_RNA) where: Base-Base interactions energy: -126.275 where: short stacking energy: -54.576 Base-Backbone interact. energy: 0.834 local terms energy: -63.971562 where: bonds (distance) C4'-P energy: -12.194 bonds (distance) P-C4' energy: -14.238 flat angles C4'-P-C4' energy: -15.489 flat angles P-C4'-P energy: -9.228 tors. eta vs tors. theta energy: -12.822 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: 1 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -295.283905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.283905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.283905 (E_RNA) where: Base-Base interactions energy: -200.140 where: short stacking energy: -86.343 Base-Backbone interact. energy: -2.752 local terms energy: -92.392390 where: bonds (distance) C4'-P energy: -18.204 bonds (distance) P-C4' energy: -20.681 flat angles C4'-P-C4' energy: -19.377 flat angles P-C4'-P energy: -10.511 tors. eta vs tors. theta energy: -23.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -283.898809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.898809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.898809 (E_RNA) where: Base-Base interactions energy: -205.791 where: short stacking energy: -91.744 Base-Backbone interact. energy: -2.999 local terms energy: -75.108439 where: bonds (distance) C4'-P energy: -15.466 bonds (distance) P-C4' energy: -15.520 flat angles C4'-P-C4' energy: -18.115 flat angles P-C4'-P energy: -6.761 tors. eta vs tors. theta energy: -19.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -253.741036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.741036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.741036 (E_RNA) where: Base-Base interactions energy: -164.478 where: short stacking energy: -88.184 Base-Backbone interact. energy: -0.104 local terms energy: -89.159083 where: bonds (distance) C4'-P energy: -19.130 bonds (distance) P-C4' energy: -19.337 flat angles C4'-P-C4' energy: -18.822 flat angles P-C4'-P energy: -10.516 tors. eta vs tors. theta energy: -21.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -274.390600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.390600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.390600 (E_RNA) where: Base-Base interactions energy: -190.604 where: short stacking energy: -86.080 Base-Backbone interact. energy: -0.308 local terms energy: -83.479092 where: bonds (distance) C4'-P energy: -10.430 bonds (distance) P-C4' energy: -20.004 flat angles C4'-P-C4' energy: -20.549 flat angles P-C4'-P energy: -11.738 tors. eta vs tors. theta energy: -20.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -235.363632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.363632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.363632 (E_RNA) where: Base-Base interactions energy: -168.564 where: short stacking energy: -80.509 Base-Backbone interact. energy: -0.010 local terms energy: -66.788948 where: bonds (distance) C4'-P energy: -13.429 bonds (distance) P-C4' energy: -12.193 flat angles C4'-P-C4' energy: -16.081 flat angles P-C4'-P energy: -5.965 tors. eta vs tors. theta energy: -19.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -221.354380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.354380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.354380 (E_RNA) where: Base-Base interactions energy: -155.124 where: short stacking energy: -76.180 Base-Backbone interact. energy: -1.302 local terms energy: -64.928666 where: bonds (distance) C4'-P energy: -11.678 bonds (distance) P-C4' energy: -12.683 flat angles C4'-P-C4' energy: -16.119 flat angles P-C4'-P energy: -7.292 tors. eta vs tors. theta energy: -17.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -215.251261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.251261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.251261 (E_RNA) where: Base-Base interactions energy: -146.170 where: short stacking energy: -73.504 Base-Backbone interact. energy: -0.235 local terms energy: -68.845985 where: bonds (distance) C4'-P energy: -14.164 bonds (distance) P-C4' energy: -17.432 flat angles C4'-P-C4' energy: -14.323 flat angles P-C4'-P energy: -7.480 tors. eta vs tors. theta energy: -15.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -208.245345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.245345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.245345 (E_RNA) where: Base-Base interactions energy: -137.071 where: short stacking energy: -62.751 Base-Backbone interact. energy: -0.155 local terms energy: -71.019442 where: bonds (distance) C4'-P energy: -13.829 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -15.746 flat angles P-C4'-P energy: -10.584 tors. eta vs tors. theta energy: -15.552 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: 9, replica: 4 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -204.475609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.475609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.475609 (E_RNA) where: Base-Base interactions energy: -140.133 where: short stacking energy: -64.711 Base-Backbone interact. energy: -0.152 local terms energy: -64.190564 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -17.439 flat angles C4'-P-C4' energy: -13.418 flat angles P-C4'-P energy: -8.719 tors. eta vs tors. theta energy: -15.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -196.036051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.036051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.036051 (E_RNA) where: Base-Base interactions energy: -135.534 where: short stacking energy: -56.692 Base-Backbone interact. energy: -1.875 local terms energy: -58.626668 where: bonds (distance) C4'-P energy: -12.898 bonds (distance) P-C4' energy: -8.482 flat angles C4'-P-C4' energy: -18.097 flat angles P-C4'-P energy: -11.654 tors. eta vs tors. theta energy: -7.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -291.113504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.113504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.113504 (E_RNA) where: Base-Base interactions energy: -204.767 where: short stacking energy: -86.318 Base-Backbone interact. energy: -1.576 local terms energy: -84.770747 where: bonds (distance) C4'-P energy: -18.422 bonds (distance) P-C4' energy: -15.165 flat angles C4'-P-C4' energy: -19.997 flat angles P-C4'-P energy: -11.362 tors. eta vs tors. theta energy: -19.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -290.358048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.358048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.358048 (E_RNA) where: Base-Base interactions energy: -204.110 where: short stacking energy: -85.775 Base-Backbone interact. energy: -1.017 local terms energy: -85.230732 where: bonds (distance) C4'-P energy: -17.428 bonds (distance) P-C4' energy: -16.494 flat angles C4'-P-C4' energy: -19.887 flat angles P-C4'-P energy: -11.154 tors. eta vs tors. theta energy: -20.267 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: 6 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -263.337487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.337487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.337487 (E_RNA) where: Base-Base interactions energy: -185.021 where: short stacking energy: -86.806 Base-Backbone interact. energy: -0.768 local terms energy: -77.548097 where: bonds (distance) C4'-P energy: -14.624 bonds (distance) P-C4' energy: -16.273 flat angles C4'-P-C4' energy: -16.451 flat angles P-C4'-P energy: -8.579 tors. eta vs tors. theta energy: -21.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -235.307837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.307837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.307837 (E_RNA) where: Base-Base interactions energy: -158.263 where: short stacking energy: -77.345 Base-Backbone interact. energy: -0.452 local terms energy: -76.591930 where: bonds (distance) C4'-P energy: -17.995 bonds (distance) P-C4' energy: -16.496 flat angles C4'-P-C4' energy: -16.588 flat angles P-C4'-P energy: -8.249 tors. eta vs tors. theta energy: -17.264 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: 7 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -234.404153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.404153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.404153 (E_RNA) where: Base-Base interactions energy: -162.729 where: short stacking energy: -82.155 Base-Backbone interact. energy: -0.083 local terms energy: -71.592301 where: bonds (distance) C4'-P energy: -12.505 bonds (distance) P-C4' energy: -16.700 flat angles C4'-P-C4' energy: -12.351 flat angles P-C4'-P energy: -10.411 tors. eta vs tors. theta energy: -19.626 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: 8 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -232.777964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.777964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.777964 (E_RNA) where: Base-Base interactions energy: -147.601 where: short stacking energy: -68.652 Base-Backbone interact. energy: -0.791 local terms energy: -84.385407 where: bonds (distance) C4'-P energy: -17.896 bonds (distance) P-C4' energy: -15.750 flat angles C4'-P-C4' energy: -17.312 flat angles P-C4'-P energy: -10.938 tors. eta vs tors. theta energy: -22.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -223.968196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.968196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.968196 (E_RNA) where: Base-Base interactions energy: -153.427 where: short stacking energy: -69.941 Base-Backbone interact. energy: -0.016 local terms energy: -70.525787 where: bonds (distance) C4'-P energy: -13.059 bonds (distance) P-C4' energy: -16.205 flat angles C4'-P-C4' energy: -18.086 flat angles P-C4'-P energy: -8.120 tors. eta vs tors. theta energy: -15.056 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: 3 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -219.626491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.626491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.626491 (E_RNA) where: Base-Base interactions energy: -147.370 where: short stacking energy: -70.445 Base-Backbone interact. energy: -0.298 local terms energy: -71.958981 where: bonds (distance) C4'-P energy: -9.131 bonds (distance) P-C4' energy: -18.125 flat angles C4'-P-C4' energy: -13.689 flat angles P-C4'-P energy: -11.345 tors. eta vs tors. theta energy: -19.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -213.340620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.340620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.340620 (E_RNA) where: Base-Base interactions energy: -141.445 where: short stacking energy: -67.438 Base-Backbone interact. energy: 1.275 local terms energy: -73.170327 where: bonds (distance) C4'-P energy: -16.318 bonds (distance) P-C4' energy: -14.863 flat angles C4'-P-C4' energy: -17.896 flat angles P-C4'-P energy: -9.750 tors. eta vs tors. theta energy: -14.344 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: 442 Temperature: 1.350000 Total energy: -198.348278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.348278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.348278 (E_RNA) where: Base-Base interactions energy: -134.060 where: short stacking energy: -56.411 Base-Backbone interact. energy: -0.502 local terms energy: -63.786059 where: bonds (distance) C4'-P energy: -12.567 bonds (distance) P-C4' energy: -17.715 flat angles C4'-P-C4' energy: -15.092 flat angles P-C4'-P energy: -6.328 tors. eta vs tors. theta energy: -12.084 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: 1 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -299.991635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.991635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.991635 (E_RNA) where: Base-Base interactions energy: -212.391 where: short stacking energy: -95.047 Base-Backbone interact. energy: -2.762 local terms energy: -84.838486 where: bonds (distance) C4'-P energy: -12.551 bonds (distance) P-C4' energy: -21.582 flat angles C4'-P-C4' energy: -17.488 flat angles P-C4'-P energy: -10.692 tors. eta vs tors. theta energy: -22.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -284.421629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.421629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.421629 (E_RNA) where: Base-Base interactions energy: -208.566 where: short stacking energy: -90.386 Base-Backbone interact. energy: -1.512 local terms energy: -74.343390 where: bonds (distance) C4'-P energy: -14.430 bonds (distance) P-C4' energy: -16.274 flat angles C4'-P-C4' energy: -14.296 flat angles P-C4'-P energy: -7.594 tors. eta vs tors. theta energy: -21.750 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: 6 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -266.781067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.781067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.781067 (E_RNA) where: Base-Base interactions energy: -186.467 where: short stacking energy: -82.418 Base-Backbone interact. energy: -0.804 local terms energy: -79.509809 where: bonds (distance) C4'-P energy: -16.264 bonds (distance) P-C4' energy: -15.486 flat angles C4'-P-C4' energy: -17.626 flat angles P-C4'-P energy: -13.374 tors. eta vs tors. theta energy: -16.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -239.487622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.487622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.487622 (E_RNA) where: Base-Base interactions energy: -154.946 where: short stacking energy: -73.900 Base-Backbone interact. energy: -0.151 local terms energy: -84.390592 where: bonds (distance) C4'-P energy: -17.329 bonds (distance) P-C4' energy: -17.726 flat angles C4'-P-C4' energy: -16.982 flat angles P-C4'-P energy: -11.907 tors. eta vs tors. theta energy: -20.448 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: 10 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -230.540913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.540913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.540913 (E_RNA) where: Base-Base interactions energy: -151.840 where: short stacking energy: -70.653 Base-Backbone interact. energy: -0.104 local terms energy: -78.597256 where: bonds (distance) C4'-P energy: -15.765 bonds (distance) P-C4' energy: -17.194 flat angles C4'-P-C4' energy: -19.735 flat angles P-C4'-P energy: -12.323 tors. eta vs tors. theta energy: -13.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -227.004827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.004827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.004827 (E_RNA) where: Base-Base interactions energy: -152.756 where: short stacking energy: -69.711 Base-Backbone interact. energy: -1.214 local terms energy: -73.034636 where: bonds (distance) C4'-P energy: -17.344 bonds (distance) P-C4' energy: -16.483 flat angles C4'-P-C4' energy: -16.630 flat angles P-C4'-P energy: -3.834 tors. eta vs tors. theta energy: -18.743 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: 443 Temperature: 1.200000 Total energy: -214.333156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.333156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.333156 (E_RNA) where: Base-Base interactions energy: -137.635 where: short stacking energy: -63.826 Base-Backbone interact. energy: -0.052 local terms energy: -76.645882 where: bonds (distance) C4'-P energy: -16.327 bonds (distance) P-C4' energy: -17.579 flat angles C4'-P-C4' energy: -16.221 flat angles P-C4'-P energy: -9.187 tors. eta vs tors. theta energy: -17.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -215.176237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.176237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.176237 (E_RNA) where: Base-Base interactions energy: -139.050 where: short stacking energy: -61.393 Base-Backbone interact. energy: -0.381 local terms energy: -75.744802 where: bonds (distance) C4'-P energy: -17.398 bonds (distance) P-C4' energy: -15.256 flat angles C4'-P-C4' energy: -18.463 flat angles P-C4'-P energy: -9.681 tors. eta vs tors. theta energy: -14.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -211.073638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.073638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.073638 (E_RNA) where: Base-Base interactions energy: -143.046 where: short stacking energy: -71.931 Base-Backbone interact. energy: -0.416 local terms energy: -67.611682 where: bonds (distance) C4'-P energy: -15.321 bonds (distance) P-C4' energy: -14.653 flat angles C4'-P-C4' energy: -14.603 flat angles P-C4'-P energy: -6.351 tors. eta vs tors. theta energy: -16.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -181.716000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.716000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.716000 (E_RNA) where: Base-Base interactions energy: -122.610 where: short stacking energy: -51.958 Base-Backbone interact. energy: -0.611 local terms energy: -58.494576 where: bonds (distance) C4'-P energy: -14.481 bonds (distance) P-C4' energy: -12.574 flat angles C4'-P-C4' energy: -16.803 flat angles P-C4'-P energy: -4.171 tors. eta vs tors. theta energy: -10.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -288.067337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.067337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.067337 (E_RNA) where: Base-Base interactions energy: -198.868 where: short stacking energy: -87.115 Base-Backbone interact. energy: -0.465 local terms energy: -88.733948 where: bonds (distance) C4'-P energy: -18.934 bonds (distance) P-C4' energy: -19.696 flat angles C4'-P-C4' energy: -20.005 flat angles P-C4'-P energy: -8.631 tors. eta vs tors. theta energy: -21.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -299.158820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.158820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.158820 (E_RNA) where: Base-Base interactions energy: -214.476 where: short stacking energy: -96.499 Base-Backbone interact. energy: -1.917 local terms energy: -82.766016 where: bonds (distance) C4'-P energy: -13.284 bonds (distance) P-C4' energy: -15.942 flat angles C4'-P-C4' energy: -19.225 flat angles P-C4'-P energy: -9.510 tors. eta vs tors. theta energy: -24.806 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: 6 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -276.297537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.297537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.297537 (E_RNA) where: Base-Base interactions energy: -194.922 where: short stacking energy: -79.219 Base-Backbone interact. energy: -0.685 local terms energy: -80.690410 where: bonds (distance) C4'-P energy: -16.728 bonds (distance) P-C4' energy: -17.700 flat angles C4'-P-C4' energy: -17.856 flat angles P-C4'-P energy: -8.218 tors. eta vs tors. theta energy: -20.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -243.015843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.015843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.015843 (E_RNA) where: Base-Base interactions energy: -165.615 where: short stacking energy: -78.657 Base-Backbone interact. energy: -0.247 local terms energy: -77.153368 where: bonds (distance) C4'-P energy: -13.753 bonds (distance) P-C4' energy: -16.750 flat angles C4'-P-C4' energy: -17.351 flat angles P-C4'-P energy: -7.613 tors. eta vs tors. theta energy: -21.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -237.447526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.447526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.447526 (E_RNA) where: Base-Base interactions energy: -161.740 where: short stacking energy: -85.255 Base-Backbone interact. energy: -0.008 local terms energy: -75.700265 where: bonds (distance) C4'-P energy: -17.762 bonds (distance) P-C4' energy: -12.179 flat angles C4'-P-C4' energy: -15.832 flat angles P-C4'-P energy: -7.692 tors. eta vs tors. theta energy: -22.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -213.747953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.747953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.747953 (E_RNA) where: Base-Base interactions energy: -139.978 where: short stacking energy: -64.176 Base-Backbone interact. energy: 0.694 local terms energy: -74.464579 where: bonds (distance) C4'-P energy: -13.474 bonds (distance) P-C4' energy: -15.639 flat angles C4'-P-C4' energy: -19.095 flat angles P-C4'-P energy: -10.691 tors. eta vs tors. theta energy: -15.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -230.841245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.841245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.841245 (E_RNA) where: Base-Base interactions energy: -157.953 where: short stacking energy: -72.773 Base-Backbone interact. energy: -0.006 local terms energy: -72.882358 where: bonds (distance) C4'-P energy: -14.269 bonds (distance) P-C4' energy: -16.124 flat angles C4'-P-C4' energy: -16.716 flat angles P-C4'-P energy: -7.760 tors. eta vs tors. theta energy: -18.014 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: 5 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -227.251409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.251409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.251409 (E_RNA) where: Base-Base interactions energy: -149.386 where: short stacking energy: -70.740 Base-Backbone interact. energy: -1.242 local terms energy: -76.623625 where: bonds (distance) C4'-P energy: -16.397 bonds (distance) P-C4' energy: -15.251 flat angles C4'-P-C4' energy: -15.160 flat angles P-C4'-P energy: -10.761 tors. eta vs tors. theta energy: -19.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -212.949046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.949046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.949046 (E_RNA) where: Base-Base interactions energy: -145.315 where: short stacking energy: -72.760 Base-Backbone interact. energy: -0.761 local terms energy: -66.873594 where: bonds (distance) C4'-P energy: -13.830 bonds (distance) P-C4' energy: -12.690 flat angles C4'-P-C4' energy: -13.178 flat angles P-C4'-P energy: -13.409 tors. eta vs tors. theta energy: -13.767 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: 3 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -189.116793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.116793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.116793 (E_RNA) where: Base-Base interactions energy: -129.359 where: short stacking energy: -59.628 Base-Backbone interact. energy: -0.282 local terms energy: -59.476184 where: bonds (distance) C4'-P energy: -10.282 bonds (distance) P-C4' energy: -16.480 flat angles C4'-P-C4' energy: -17.904 flat angles P-C4'-P energy: -6.539 tors. eta vs tors. theta energy: -8.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -276.424607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.424607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.424607 (E_RNA) where: Base-Base interactions energy: -188.106 where: short stacking energy: -73.983 Base-Backbone interact. energy: -0.652 local terms energy: -87.666807 where: bonds (distance) C4'-P energy: -18.781 bonds (distance) P-C4' energy: -17.927 flat angles C4'-P-C4' energy: -20.274 flat angles P-C4'-P energy: -11.596 tors. eta vs tors. theta energy: -19.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -269.366364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.366364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.366364 (E_RNA) where: Base-Base interactions energy: -187.014 where: short stacking energy: -83.018 Base-Backbone interact. energy: -0.120 local terms energy: -82.232140 where: bonds (distance) C4'-P energy: -18.322 bonds (distance) P-C4' energy: -17.966 flat angles C4'-P-C4' energy: -13.592 flat angles P-C4'-P energy: -10.382 tors. eta vs tors. theta energy: -21.969 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: 1 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -287.343128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.343128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.343128 (E_RNA) where: Base-Base interactions energy: -200.481 where: short stacking energy: -86.593 Base-Backbone interact. energy: 0.356 local terms energy: -87.217968 where: bonds (distance) C4'-P energy: -20.028 bonds (distance) P-C4' energy: -18.850 flat angles C4'-P-C4' energy: -16.116 flat angles P-C4'-P energy: -10.950 tors. eta vs tors. theta energy: -21.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -244.242288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.242288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.242288 (E_RNA) where: Base-Base interactions energy: -166.035 where: short stacking energy: -86.574 Base-Backbone interact. energy: -0.138 local terms energy: -78.068965 where: bonds (distance) C4'-P energy: -13.938 bonds (distance) P-C4' energy: -16.970 flat angles C4'-P-C4' energy: -14.751 flat angles P-C4'-P energy: -10.575 tors. eta vs tors. theta energy: -21.835 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: 7 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -234.612123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.612123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.612123 (E_RNA) where: Base-Base interactions energy: -162.103 where: short stacking energy: -72.600 Base-Backbone interact. energy: -0.043 local terms energy: -72.465333 where: bonds (distance) C4'-P energy: -13.805 bonds (distance) P-C4' energy: -18.269 flat angles C4'-P-C4' energy: -17.220 flat angles P-C4'-P energy: -9.988 tors. eta vs tors. theta energy: -13.183 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: 445 Temperature: 1.150000 Total energy: -220.762656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.762656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.762656 (E_RNA) where: Base-Base interactions energy: -142.662 where: short stacking energy: -67.551 Base-Backbone interact. energy: -1.151 local terms energy: -76.949738 where: bonds (distance) C4'-P energy: -19.928 bonds (distance) P-C4' energy: -17.094 flat angles C4'-P-C4' energy: -16.418 flat angles P-C4'-P energy: -6.296 tors. eta vs tors. theta energy: -17.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -225.234947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.234947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.234947 (E_RNA) where: Base-Base interactions energy: -146.695 where: short stacking energy: -66.799 Base-Backbone interact. energy: -1.675 local terms energy: -76.865057 where: bonds (distance) C4'-P energy: -13.421 bonds (distance) P-C4' energy: -12.706 flat angles C4'-P-C4' energy: -20.773 flat angles P-C4'-P energy: -12.904 tors. eta vs tors. theta energy: -17.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -208.337227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.337227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.337227 (E_RNA) where: Base-Base interactions energy: -131.628 where: short stacking energy: -60.352 Base-Backbone interact. energy: -1.140 local terms energy: -75.569358 where: bonds (distance) C4'-P energy: -17.845 bonds (distance) P-C4' energy: -13.159 flat angles C4'-P-C4' energy: -17.556 flat angles P-C4'-P energy: -12.437 tors. eta vs tors. theta energy: -14.573 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: 4 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -209.748344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.748344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.748344 (E_RNA) where: Base-Base interactions energy: -137.658 where: short stacking energy: -68.093 Base-Backbone interact. energy: 2.374 local terms energy: -74.464479 where: bonds (distance) C4'-P energy: -14.381 bonds (distance) P-C4' energy: -17.275 flat angles C4'-P-C4' energy: -17.803 flat angles P-C4'-P energy: -8.021 tors. eta vs tors. theta energy: -16.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -194.501426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.501426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.501426 (E_RNA) where: Base-Base interactions energy: -132.192 where: short stacking energy: -64.224 Base-Backbone interact. energy: -1.317 local terms energy: -60.991986 where: bonds (distance) C4'-P energy: -10.827 bonds (distance) P-C4' energy: -13.432 flat angles C4'-P-C4' energy: -15.423 flat angles P-C4'-P energy: -9.515 tors. eta vs tors. theta energy: -11.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -287.643870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.643870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.643870 (E_RNA) where: Base-Base interactions energy: -205.056 where: short stacking energy: -92.353 Base-Backbone interact. energy: -0.390 local terms energy: -82.198209 where: bonds (distance) C4'-P energy: -19.264 bonds (distance) P-C4' energy: -17.206 flat angles C4'-P-C4' energy: -15.380 flat angles P-C4'-P energy: -8.718 tors. eta vs tors. theta energy: -21.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -278.453101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.453101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.453101 (E_RNA) where: Base-Base interactions energy: -203.286 where: short stacking energy: -90.326 Base-Backbone interact. energy: -0.008 local terms energy: -75.158867 where: bonds (distance) C4'-P energy: -16.028 bonds (distance) P-C4' energy: -15.299 flat angles C4'-P-C4' energy: -13.636 flat angles P-C4'-P energy: -9.920 tors. eta vs tors. theta energy: -20.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -283.640771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.640771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.640771 (E_RNA) where: Base-Base interactions energy: -199.304 where: short stacking energy: -82.825 Base-Backbone interact. energy: -1.585 local terms energy: -82.752496 where: bonds (distance) C4'-P energy: -11.063 bonds (distance) P-C4' energy: -20.395 flat angles C4'-P-C4' energy: -17.114 flat angles P-C4'-P energy: -13.837 tors. eta vs tors. theta energy: -20.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -230.736938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.736938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.736938 (E_RNA) where: Base-Base interactions energy: -159.450 where: short stacking energy: -82.533 Base-Backbone interact. energy: -0.270 local terms energy: -71.017260 where: bonds (distance) C4'-P energy: -15.937 bonds (distance) P-C4' energy: -14.518 flat angles C4'-P-C4' energy: -13.898 flat angles P-C4'-P energy: -8.387 tors. eta vs tors. theta energy: -18.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -239.550336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.550336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.550336 (E_RNA) where: Base-Base interactions energy: -164.854 where: short stacking energy: -85.964 Base-Backbone interact. energy: -0.160 local terms energy: -74.536067 where: bonds (distance) C4'-P energy: -12.531 bonds (distance) P-C4' energy: -15.979 flat angles C4'-P-C4' energy: -16.606 flat angles P-C4'-P energy: -10.985 tors. eta vs tors. theta energy: -18.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -224.263133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.263133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.263133 (E_RNA) where: Base-Base interactions energy: -147.576 where: short stacking energy: -75.867 Base-Backbone interact. energy: -0.119 local terms energy: -76.567427 where: bonds (distance) C4'-P energy: -14.404 bonds (distance) P-C4' energy: -16.904 flat angles C4'-P-C4' energy: -19.090 flat angles P-C4'-P energy: -11.825 tors. eta vs tors. theta energy: -14.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -222.977882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.977882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.977882 (E_RNA) where: Base-Base interactions energy: -152.030 where: short stacking energy: -69.559 Base-Backbone interact. energy: -0.293 local terms energy: -70.655120 where: bonds (distance) C4'-P energy: -14.255 bonds (distance) P-C4' energy: -13.984 flat angles C4'-P-C4' energy: -18.492 flat angles P-C4'-P energy: -8.769 tors. eta vs tors. theta energy: -15.156 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: 8 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -210.954464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.954464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.954464 (E_RNA) where: Base-Base interactions energy: -150.560 where: short stacking energy: -72.143 Base-Backbone interact. energy: -0.067 local terms energy: -60.327427 where: bonds (distance) C4'-P energy: -8.633 bonds (distance) P-C4' energy: -16.196 flat angles C4'-P-C4' energy: -10.362 flat angles P-C4'-P energy: -10.833 tors. eta vs tors. theta energy: -14.303 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: 3 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -196.632594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.632594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.632594 (E_RNA) where: Base-Base interactions energy: -133.478 where: short stacking energy: -54.595 Base-Backbone interact. energy: -0.384 local terms energy: -62.770270 where: bonds (distance) C4'-P energy: -13.309 bonds (distance) P-C4' energy: -15.381 flat angles C4'-P-C4' energy: -14.166 flat angles P-C4'-P energy: -9.578 tors. eta vs tors. theta energy: -10.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -196.788377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.788377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.788377 (E_RNA) where: Base-Base interactions energy: -138.206 where: short stacking energy: -60.058 Base-Backbone interact. energy: -0.144 local terms energy: -58.438154 where: bonds (distance) C4'-P energy: -16.624 bonds (distance) P-C4' energy: -12.133 flat angles C4'-P-C4' energy: -13.911 flat angles P-C4'-P energy: -4.736 tors. eta vs tors. theta energy: -11.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -295.474422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.474422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.474422 (E_RNA) where: Base-Base interactions energy: -212.585 where: short stacking energy: -102.782 Base-Backbone interact. energy: -0.110 local terms energy: -82.779563 where: bonds (distance) C4'-P energy: -15.386 bonds (distance) P-C4' energy: -17.671 flat angles C4'-P-C4' energy: -19.885 flat angles P-C4'-P energy: -8.241 tors. eta vs tors. theta energy: -21.598 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: 1 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -285.646556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.646556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.646556 (E_RNA) where: Base-Base interactions energy: -202.575 where: short stacking energy: -85.087 Base-Backbone interact. energy: -1.898 local terms energy: -81.172778 where: bonds (distance) C4'-P energy: -13.929 bonds (distance) P-C4' energy: -17.802 flat angles C4'-P-C4' energy: -20.411 flat angles P-C4'-P energy: -9.511 tors. eta vs tors. theta energy: -19.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -271.098981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.098981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.098981 (E_RNA) where: Base-Base interactions energy: -190.919 where: short stacking energy: -83.407 Base-Backbone interact. energy: 0.093 local terms energy: -80.272981 where: bonds (distance) C4'-P energy: -15.740 bonds (distance) P-C4' energy: -15.787 flat angles C4'-P-C4' energy: -18.406 flat angles P-C4'-P energy: -11.380 tors. eta vs tors. theta energy: -18.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -237.751956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.751956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.751956 (E_RNA) where: Base-Base interactions energy: -158.214 where: short stacking energy: -84.537 Base-Backbone interact. energy: -0.243 local terms energy: -79.295488 where: bonds (distance) C4'-P energy: -14.799 bonds (distance) P-C4' energy: -21.547 flat angles C4'-P-C4' energy: -15.929 flat angles P-C4'-P energy: -6.941 tors. eta vs tors. theta energy: -20.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -232.837869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.837869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.837869 (E_RNA) where: Base-Base interactions energy: -153.074 where: short stacking energy: -82.396 Base-Backbone interact. energy: -0.925 local terms energy: -78.838304 where: bonds (distance) C4'-P energy: -17.738 bonds (distance) P-C4' energy: -16.549 flat angles C4'-P-C4' energy: -18.612 flat angles P-C4'-P energy: -9.590 tors. eta vs tors. theta energy: -16.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -223.566603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.566603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.566603 (E_RNA) where: Base-Base interactions energy: -150.036 where: short stacking energy: -67.129 Base-Backbone interact. energy: -2.106 local terms energy: -71.424178 where: bonds (distance) C4'-P energy: -13.582 bonds (distance) P-C4' energy: -13.804 flat angles C4'-P-C4' energy: -14.545 flat angles P-C4'-P energy: -11.979 tors. eta vs tors. theta energy: -17.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -222.254097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.254097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.254097 (E_RNA) where: Base-Base interactions energy: -156.020 where: short stacking energy: -77.946 Base-Backbone interact. energy: -0.159 local terms energy: -66.075080 where: bonds (distance) C4'-P energy: -13.456 bonds (distance) P-C4' energy: -16.433 flat angles C4'-P-C4' energy: -13.956 flat angles P-C4'-P energy: -5.097 tors. eta vs tors. theta energy: -17.134 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: 8 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -229.843774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.843774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.843774 (E_RNA) where: Base-Base interactions energy: -157.325 where: short stacking energy: -71.199 Base-Backbone interact. energy: 0.071 local terms energy: -72.589617 where: bonds (distance) C4'-P energy: -16.980 bonds (distance) P-C4' energy: -13.019 flat angles C4'-P-C4' energy: -14.314 flat angles P-C4'-P energy: -9.734 tors. eta vs tors. theta energy: -18.542 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: 9, replica: 3 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -207.390473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.390473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.390473 (E_RNA) where: Base-Base interactions energy: -141.433 where: short stacking energy: -65.982 Base-Backbone interact. energy: -0.616 local terms energy: -65.341463 where: bonds (distance) C4'-P energy: -16.020 bonds (distance) P-C4' energy: -17.749 flat angles C4'-P-C4' energy: -10.063 flat angles P-C4'-P energy: -7.987 tors. eta vs tors. theta energy: -13.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -184.069709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.069709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.069709 (E_RNA) where: Base-Base interactions energy: -119.584 where: short stacking energy: -49.459 Base-Backbone interact. energy: -0.348 local terms energy: -64.137407 where: bonds (distance) C4'-P energy: -14.533 bonds (distance) P-C4' energy: -19.052 flat angles C4'-P-C4' energy: -12.124 flat angles P-C4'-P energy: -10.165 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: 1, replica: 1 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -296.558985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.558985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.558985 (E_RNA) where: Base-Base interactions energy: -208.820 where: short stacking energy: -87.315 Base-Backbone interact. energy: -2.681 local terms energy: -85.057576 where: bonds (distance) C4'-P energy: -19.869 bonds (distance) P-C4' energy: -17.815 flat angles C4'-P-C4' energy: -15.128 flat angles P-C4'-P energy: -10.547 tors. eta vs tors. theta energy: -21.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -292.117668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.117668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.117668 (E_RNA) where: Base-Base interactions energy: -203.501 where: short stacking energy: -87.335 Base-Backbone interact. energy: -2.050 local terms energy: -86.566988 where: bonds (distance) C4'-P energy: -17.015 bonds (distance) P-C4' energy: -20.613 flat angles C4'-P-C4' energy: -16.891 flat angles P-C4'-P energy: -11.498 tors. eta vs tors. theta energy: -20.550 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: 6 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -283.007148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.007148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.007148 (E_RNA) where: Base-Base interactions energy: -204.231 where: short stacking energy: -90.829 Base-Backbone interact. energy: 1.987 local terms energy: -80.763646 where: bonds (distance) C4'-P energy: -16.148 bonds (distance) P-C4' energy: -15.993 flat angles C4'-P-C4' energy: -18.461 flat angles P-C4'-P energy: -10.309 tors. eta vs tors. theta energy: -19.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -245.330421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.330421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.330421 (E_RNA) where: Base-Base interactions energy: -167.053 where: short stacking energy: -78.456 Base-Backbone interact. energy: -0.357 local terms energy: -77.920961 where: bonds (distance) C4'-P energy: -13.576 bonds (distance) P-C4' energy: -17.646 flat angles C4'-P-C4' energy: -17.940 flat angles P-C4'-P energy: -9.250 tors. eta vs tors. theta energy: -19.509 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: 448 Temperature: 1.100000 Total energy: -222.333894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.333894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.333894 (E_RNA) where: Base-Base interactions energy: -147.821 where: short stacking energy: -75.065 Base-Backbone interact. energy: -0.829 local terms energy: -73.684061 where: bonds (distance) C4'-P energy: -13.532 bonds (distance) P-C4' energy: -18.290 flat angles C4'-P-C4' energy: -17.080 flat angles P-C4'-P energy: -8.420 tors. eta vs tors. theta energy: -16.362 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: 6, replica: 2 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -218.123558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.123558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.123558 (E_RNA) where: Base-Base interactions energy: -143.894 where: short stacking energy: -69.688 Base-Backbone interact. energy: -0.064 local terms energy: -74.165170 where: bonds (distance) C4'-P energy: -12.169 bonds (distance) P-C4' energy: -17.696 flat angles C4'-P-C4' energy: -20.098 flat angles P-C4'-P energy: -8.351 tors. eta vs tors. theta energy: -15.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -217.058711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.058711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.058711 (E_RNA) where: Base-Base interactions energy: -147.261 where: short stacking energy: -79.143 Base-Backbone interact. energy: -0.412 local terms energy: -69.385764 where: bonds (distance) C4'-P energy: -18.218 bonds (distance) P-C4' energy: -14.621 flat angles C4'-P-C4' energy: -12.158 flat angles P-C4'-P energy: -7.052 tors. eta vs tors. theta energy: -17.337 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: 8 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -209.476658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.476658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.476658 (E_RNA) where: Base-Base interactions energy: -137.640 where: short stacking energy: -60.916 Base-Backbone interact. energy: -0.187 local terms energy: -71.649199 where: bonds (distance) C4'-P energy: -16.070 bonds (distance) P-C4' energy: -13.310 flat angles C4'-P-C4' energy: -20.728 flat angles P-C4'-P energy: -6.548 tors. eta vs tors. theta energy: -14.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -207.919505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.919505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.919505 (E_RNA) where: Base-Base interactions energy: -146.121 where: short stacking energy: -64.142 Base-Backbone interact. energy: -1.086 local terms energy: -60.712163 where: bonds (distance) C4'-P energy: -13.424 bonds (distance) P-C4' energy: -11.684 flat angles C4'-P-C4' energy: -17.110 flat angles P-C4'-P energy: -9.050 tors. eta vs tors. theta energy: -9.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -190.191831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.191831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.191831 (E_RNA) where: Base-Base interactions energy: -134.407 where: short stacking energy: -57.111 Base-Backbone interact. energy: -0.664 local terms energy: -55.120762 where: bonds (distance) C4'-P energy: -10.708 bonds (distance) P-C4' energy: -12.780 flat angles C4'-P-C4' energy: -8.552 flat angles P-C4'-P energy: -9.773 tors. eta vs tors. theta energy: -13.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -290.830005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.830005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.830005 (E_RNA) where: Base-Base interactions energy: -208.747 where: short stacking energy: -91.728 Base-Backbone interact. energy: -0.259 local terms energy: -81.823578 where: bonds (distance) C4'-P energy: -16.972 bonds (distance) P-C4' energy: -15.458 flat angles C4'-P-C4' energy: -15.762 flat angles P-C4'-P energy: -13.386 tors. eta vs tors. theta energy: -20.245 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: 9 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -290.136253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.136253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.136253 (E_RNA) where: Base-Base interactions energy: -204.109 where: short stacking energy: -85.697 Base-Backbone interact. energy: -2.541 local terms energy: -83.486183 where: bonds (distance) C4'-P energy: -16.077 bonds (distance) P-C4' energy: -14.262 flat angles C4'-P-C4' energy: -18.365 flat angles P-C4'-P energy: -9.626 tors. eta vs tors. theta energy: -25.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -277.166337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.166337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.166337 (E_RNA) where: Base-Base interactions energy: -196.148 where: short stacking energy: -87.203 Base-Backbone interact. energy: 0.549 local terms energy: -81.567156 where: bonds (distance) C4'-P energy: -17.216 bonds (distance) P-C4' energy: -17.983 flat angles C4'-P-C4' energy: -18.307 flat angles P-C4'-P energy: -9.123 tors. eta vs tors. theta energy: -18.938 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: 7 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -258.241026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.241026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.241026 (E_RNA) where: Base-Base interactions energy: -178.595 where: short stacking energy: -95.276 Base-Backbone interact. energy: -0.008 local terms energy: -79.638072 where: bonds (distance) C4'-P energy: -14.458 bonds (distance) P-C4' energy: -18.330 flat angles C4'-P-C4' energy: -16.414 flat angles P-C4'-P energy: -6.851 tors. eta vs tors. theta energy: -23.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -239.117907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.117907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.117907 (E_RNA) where: Base-Base interactions energy: -158.758 where: short stacking energy: -74.589 Base-Backbone interact. energy: 0.238 local terms energy: -80.597537 where: bonds (distance) C4'-P energy: -19.440 bonds (distance) P-C4' energy: -12.895 flat angles C4'-P-C4' energy: -17.142 flat angles P-C4'-P energy: -13.753 tors. eta vs tors. theta energy: -17.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -209.436634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.436634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.436634 (E_RNA) where: Base-Base interactions energy: -134.841 where: short stacking energy: -57.156 Base-Backbone interact. energy: -0.479 local terms energy: -74.116578 where: bonds (distance) C4'-P energy: -18.235 bonds (distance) P-C4' energy: -18.377 flat angles C4'-P-C4' energy: -17.391 flat angles P-C4'-P energy: -9.466 tors. eta vs tors. theta energy: -10.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -217.565313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.565313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.565313 (E_RNA) where: Base-Base interactions energy: -155.686 where: short stacking energy: -69.838 Base-Backbone interact. energy: -0.548 local terms energy: -61.331986 where: bonds (distance) C4'-P energy: -12.916 bonds (distance) P-C4' energy: -10.161 flat angles C4'-P-C4' energy: -14.985 flat angles P-C4'-P energy: -11.197 tors. eta vs tors. theta energy: -12.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -212.351748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.351748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.351748 (E_RNA) where: Base-Base interactions energy: -146.967 where: short stacking energy: -67.701 Base-Backbone interact. energy: 0.467 local terms energy: -65.851086 where: bonds (distance) C4'-P energy: -8.584 bonds (distance) P-C4' energy: -16.246 flat angles C4'-P-C4' energy: -16.932 flat angles P-C4'-P energy: -10.642 tors. eta vs tors. theta energy: -13.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -198.433094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.433094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.433094 (E_RNA) where: Base-Base interactions energy: -138.327 where: short stacking energy: -62.808 Base-Backbone interact. energy: 3.890 local terms energy: -63.996004 where: bonds (distance) C4'-P energy: -15.629 bonds (distance) P-C4' energy: -14.492 flat angles C4'-P-C4' energy: -13.655 flat angles P-C4'-P energy: -8.008 tors. eta vs tors. theta energy: -12.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -188.724077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.724077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.724077 (E_RNA) where: Base-Base interactions energy: -127.759 where: short stacking energy: -53.382 Base-Backbone interact. energy: -0.411 local terms energy: -60.553925 where: bonds (distance) C4'-P energy: -10.004 bonds (distance) P-C4' energy: -17.823 flat angles C4'-P-C4' energy: -11.946 flat angles P-C4'-P energy: -9.323 tors. eta vs tors. theta energy: -11.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -301.305282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.305282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.305282 (E_RNA) where: Base-Base interactions energy: -211.257 where: short stacking energy: -90.044 Base-Backbone interact. energy: -1.574 local terms energy: -88.474032 where: bonds (distance) C4'-P energy: -17.691 bonds (distance) P-C4' energy: -16.878 flat angles C4'-P-C4' energy: -18.670 flat angles P-C4'-P energy: -11.412 tors. eta vs tors. theta energy: -23.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -295.120877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.120877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.120877 (E_RNA) where: Base-Base interactions energy: -210.299 where: short stacking energy: -92.231 Base-Backbone interact. energy: -1.607 local terms energy: -83.214018 where: bonds (distance) C4'-P energy: -14.574 bonds (distance) P-C4' energy: -17.054 flat angles C4'-P-C4' energy: -19.019 flat angles P-C4'-P energy: -10.847 tors. eta vs tors. theta energy: -21.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -245.819224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.819224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.819224 (E_RNA) where: Base-Base interactions energy: -159.813 where: short stacking energy: -86.840 Base-Backbone interact. energy: -0.097 local terms energy: -85.909323 where: bonds (distance) C4'-P energy: -16.677 bonds (distance) P-C4' energy: -17.998 flat angles C4'-P-C4' energy: -19.035 flat angles P-C4'-P energy: -13.953 tors. eta vs tors. theta energy: -18.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -269.100543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.100543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.100543 (E_RNA) where: Base-Base interactions energy: -191.539 where: short stacking energy: -80.311 Base-Backbone interact. energy: -0.475 local terms energy: -77.086817 where: bonds (distance) C4'-P energy: -9.574 bonds (distance) P-C4' energy: -16.694 flat angles C4'-P-C4' energy: -18.351 flat angles P-C4'-P energy: -10.211 tors. eta vs tors. theta energy: -22.257 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: 5, replica: 5 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -253.886301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.886301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.886301 (E_RNA) where: Base-Base interactions energy: -170.579 where: short stacking energy: -87.965 Base-Backbone interact. energy: -0.409 local terms energy: -82.897749 where: bonds (distance) C4'-P energy: -15.971 bonds (distance) P-C4' energy: -11.229 flat angles C4'-P-C4' energy: -21.343 flat angles P-C4'-P energy: -13.523 tors. eta vs tors. theta energy: -20.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -216.707469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.707469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.707469 (E_RNA) where: Base-Base interactions energy: -141.616 where: short stacking energy: -62.857 Base-Backbone interact. energy: -0.194 local terms energy: -74.896693 where: bonds (distance) C4'-P energy: -19.866 bonds (distance) P-C4' energy: -14.198 flat angles C4'-P-C4' energy: -17.526 flat angles P-C4'-P energy: -12.733 tors. eta vs tors. theta energy: -10.574 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: 7, replica: 4 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -226.727935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.727935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.727935 (E_RNA) where: Base-Base interactions energy: -159.523 where: short stacking energy: -67.235 Base-Backbone interact. energy: -0.554 local terms energy: -66.651454 where: bonds (distance) C4'-P energy: -11.065 bonds (distance) P-C4' energy: -13.923 flat angles C4'-P-C4' energy: -16.979 flat angles P-C4'-P energy: -7.381 tors. eta vs tors. theta energy: -17.304 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: 2 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -212.650508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.650508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.650508 (E_RNA) where: Base-Base interactions energy: -141.402 where: short stacking energy: -69.006 Base-Backbone interact. energy: -0.123 local terms energy: -71.124799 where: bonds (distance) C4'-P energy: -14.289 bonds (distance) P-C4' energy: -12.297 flat angles C4'-P-C4' energy: -16.717 flat angles P-C4'-P energy: -8.328 tors. eta vs tors. theta energy: -19.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -201.064662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.064662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.064662 (E_RNA) where: Base-Base interactions energy: -139.238 where: short stacking energy: -65.656 Base-Backbone interact. energy: -0.540 local terms energy: -61.286312 where: bonds (distance) C4'-P energy: -15.370 bonds (distance) P-C4' energy: -14.219 flat angles C4'-P-C4' energy: -15.412 flat angles P-C4'-P energy: -6.745 tors. eta vs tors. theta energy: -9.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -190.095561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.095561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.095561 (E_RNA) where: Base-Base interactions energy: -132.454 where: short stacking energy: -58.757 Base-Backbone interact. energy: -0.061 local terms energy: -57.581041 where: bonds (distance) C4'-P energy: -9.615 bonds (distance) P-C4' energy: -15.085 flat angles C4'-P-C4' energy: -17.395 flat angles P-C4'-P energy: -5.701 tors. eta vs tors. theta energy: -9.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -280.547708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.547708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.547708 (E_RNA) where: Base-Base interactions energy: -197.987 where: short stacking energy: -84.911 Base-Backbone interact. energy: -1.854 local terms energy: -80.707347 where: bonds (distance) C4'-P energy: -14.430 bonds (distance) P-C4' energy: -19.982 flat angles C4'-P-C4' energy: -17.714 flat angles P-C4'-P energy: -9.397 tors. eta vs tors. theta energy: -19.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -287.513168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.513168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.513168 (E_RNA) where: Base-Base interactions energy: -205.167 where: short stacking energy: -90.918 Base-Backbone interact. energy: -1.235 local terms energy: -81.111206 where: bonds (distance) C4'-P energy: -17.445 bonds (distance) P-C4' energy: -15.457 flat angles C4'-P-C4' energy: -16.806 flat angles P-C4'-P energy: -7.818 tors. eta vs tors. theta energy: -23.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -245.186569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.186569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.186569 (E_RNA) where: Base-Base interactions energy: -169.555 where: short stacking energy: -84.582 Base-Backbone interact. energy: -0.011 local terms energy: -75.620159 where: bonds (distance) C4'-P energy: -10.192 bonds (distance) P-C4' energy: -17.084 flat angles C4'-P-C4' energy: -17.383 flat angles P-C4'-P energy: -7.920 tors. eta vs tors. theta energy: -23.041 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: 6 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -272.534846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.534846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.534846 (E_RNA) where: Base-Base interactions energy: -190.231 where: short stacking energy: -82.215 Base-Backbone interact. energy: 1.326 local terms energy: -83.629274 where: bonds (distance) C4'-P energy: -15.553 bonds (distance) P-C4' energy: -18.962 flat angles C4'-P-C4' energy: -17.368 flat angles P-C4'-P energy: -10.265 tors. eta vs tors. theta energy: -21.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -240.283812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.283812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.283812 (E_RNA) where: Base-Base interactions energy: -157.303 where: short stacking energy: -73.326 Base-Backbone interact. energy: -0.300 local terms energy: -82.679879 where: bonds (distance) C4'-P energy: -15.580 bonds (distance) P-C4' energy: -18.518 flat angles C4'-P-C4' energy: -16.126 flat angles P-C4'-P energy: -10.772 tors. eta vs tors. theta energy: -21.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -228.115407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.115407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.115407 (E_RNA) where: Base-Base interactions energy: -152.841 where: short stacking energy: -72.211 Base-Backbone interact. energy: -0.524 local terms energy: -74.750457 where: bonds (distance) C4'-P energy: -15.324 bonds (distance) P-C4' energy: -13.399 flat angles C4'-P-C4' energy: -14.903 flat angles P-C4'-P energy: -12.507 tors. eta vs tors. theta energy: -18.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -221.405040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.405040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.405040 (E_RNA) where: Base-Base interactions energy: -153.431 where: short stacking energy: -78.554 Base-Backbone interact. energy: -0.438 local terms energy: -67.536734 where: bonds (distance) C4'-P energy: -17.402 bonds (distance) P-C4' energy: -15.105 flat angles C4'-P-C4' energy: -16.285 flat angles P-C4'-P energy: -2.885 tors. eta vs tors. theta energy: -15.860 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: 8, replica: 3 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -196.905033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.905033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.905033 (E_RNA) where: Base-Base interactions energy: -138.240 where: short stacking energy: -63.224 Base-Backbone interact. energy: -0.225 local terms energy: -58.440256 where: bonds (distance) C4'-P energy: -5.856 bonds (distance) P-C4' energy: -16.794 flat angles C4'-P-C4' energy: -17.672 flat angles P-C4'-P energy: -6.164 tors. eta vs tors. theta energy: -11.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -221.385135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.385135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.385135 (E_RNA) where: Base-Base interactions energy: -142.612 where: short stacking energy: -73.855 Base-Backbone interact. energy: -0.324 local terms energy: -78.449693 where: bonds (distance) C4'-P energy: -16.785 bonds (distance) P-C4' energy: -16.396 flat angles C4'-P-C4' energy: -18.752 flat angles P-C4'-P energy: -9.298 tors. eta vs tors. theta energy: -17.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -198.476494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.476494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.476494 (E_RNA) where: Base-Base interactions energy: -139.981 where: short stacking energy: -60.126 Base-Backbone interact. energy: -0.216 local terms energy: -58.279226 where: bonds (distance) C4'-P energy: -14.351 bonds (distance) P-C4' energy: -16.606 flat angles C4'-P-C4' energy: -15.046 flat angles P-C4'-P energy: -3.120 tors. eta vs tors. theta energy: -9.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -284.505285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.505285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.505285 (E_RNA) where: Base-Base interactions energy: -203.853 where: short stacking energy: -89.571 Base-Backbone interact. energy: -1.624 local terms energy: -79.028665 where: bonds (distance) C4'-P energy: -15.382 bonds (distance) P-C4' energy: -18.984 flat angles C4'-P-C4' energy: -17.640 flat angles P-C4'-P energy: -4.003 tors. eta vs tors. theta energy: -23.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -277.648350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.648350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.648350 (E_RNA) where: Base-Base interactions energy: -196.898 where: short stacking energy: -88.981 Base-Backbone interact. energy: -0.940 local terms energy: -79.810785 where: bonds (distance) C4'-P energy: -9.992 bonds (distance) P-C4' energy: -20.355 flat angles C4'-P-C4' energy: -18.045 flat angles P-C4'-P energy: -12.392 tors. eta vs tors. theta energy: -19.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -270.405090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.405090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.405090 (E_RNA) where: Base-Base interactions energy: -196.341 where: short stacking energy: -83.697 Base-Backbone interact. energy: -1.197 local terms energy: -72.867443 where: bonds (distance) C4'-P energy: -15.240 bonds (distance) P-C4' energy: -19.886 flat angles C4'-P-C4' energy: -14.340 flat angles P-C4'-P energy: -7.272 tors. eta vs tors. theta energy: -16.130 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: 7 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -248.969795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.969795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.969795 (E_RNA) where: Base-Base interactions energy: -165.644 where: short stacking energy: -86.503 Base-Backbone interact. energy: -0.003 local terms energy: -83.323366 where: bonds (distance) C4'-P energy: -17.274 bonds (distance) P-C4' energy: -11.619 flat angles C4'-P-C4' energy: -19.674 flat angles P-C4'-P energy: -11.754 tors. eta vs tors. theta energy: -23.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -236.902549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.902549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.902549 (E_RNA) where: Base-Base interactions energy: -162.053 where: short stacking energy: -80.421 Base-Backbone interact. energy: 1.390 local terms energy: -76.239320 where: bonds (distance) C4'-P energy: -15.747 bonds (distance) P-C4' energy: -16.094 flat angles C4'-P-C4' energy: -17.845 flat angles P-C4'-P energy: -9.714 tors. eta vs tors. theta energy: -16.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -220.830413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.830413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.830413 (E_RNA) where: Base-Base interactions energy: -149.057 where: short stacking energy: -73.962 Base-Backbone interact. energy: -0.839 local terms energy: -70.935203 where: bonds (distance) C4'-P energy: -14.352 bonds (distance) P-C4' energy: -17.295 flat angles C4'-P-C4' energy: -13.651 flat angles P-C4'-P energy: -9.349 tors. eta vs tors. theta energy: -16.288 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: 4 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -216.646675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.646675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.646675 (E_RNA) where: Base-Base interactions energy: -143.819 where: short stacking energy: -66.915 Base-Backbone interact. energy: 1.395 local terms energy: -74.222771 where: bonds (distance) C4'-P energy: -13.875 bonds (distance) P-C4' energy: -17.904 flat angles C4'-P-C4' energy: -17.370 flat angles P-C4'-P energy: -9.369 tors. eta vs tors. theta energy: -15.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -207.506336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.506336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.506336 (E_RNA) where: Base-Base interactions energy: -137.044 where: short stacking energy: -60.811 Base-Backbone interact. energy: -0.250 local terms energy: -70.212140 where: bonds (distance) C4'-P energy: -17.229 bonds (distance) P-C4' energy: -17.580 flat angles C4'-P-C4' energy: -14.899 flat angles P-C4'-P energy: -7.310 tors. eta vs tors. theta energy: -13.193 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: 9, replica: 8 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -198.631431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.631431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.631431 (E_RNA) where: Base-Base interactions energy: -136.379 where: short stacking energy: -65.105 Base-Backbone interact. energy: -0.232 local terms energy: -62.021029 where: bonds (distance) C4'-P energy: -16.914 bonds (distance) P-C4' energy: -13.304 flat angles C4'-P-C4' energy: -12.639 flat angles P-C4'-P energy: -6.047 tors. eta vs tors. theta energy: -13.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -200.661840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.661840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.661840 (E_RNA) where: Base-Base interactions energy: -139.508 where: short stacking energy: -66.393 Base-Backbone interact. energy: -0.381 local terms energy: -60.773335 where: bonds (distance) C4'-P energy: -15.148 bonds (distance) P-C4' energy: -14.723 flat angles C4'-P-C4' energy: -12.336 flat angles P-C4'-P energy: -3.497 tors. eta vs tors. theta energy: -15.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -290.309859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.309859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.309859 (E_RNA) where: Base-Base interactions energy: -203.333 where: short stacking energy: -91.668 Base-Backbone interact. energy: -0.699 local terms energy: -86.277190 where: bonds (distance) C4'-P energy: -19.832 bonds (distance) P-C4' energy: -18.697 flat angles C4'-P-C4' energy: -18.767 flat angles P-C4'-P energy: -7.022 tors. eta vs tors. theta energy: -21.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -281.870269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.870269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.870269 (E_RNA) where: Base-Base interactions energy: -202.762 where: short stacking energy: -99.711 Base-Backbone interact. energy: 1.192 local terms energy: -80.300465 where: bonds (distance) C4'-P energy: -13.200 bonds (distance) P-C4' energy: -13.886 flat angles C4'-P-C4' energy: -17.754 flat angles P-C4'-P energy: -12.343 tors. eta vs tors. theta energy: -23.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -276.016560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.016560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.016560 (E_RNA) where: Base-Base interactions energy: -194.644 where: short stacking energy: -79.134 Base-Backbone interact. energy: 2.181 local terms energy: -83.553740 where: bonds (distance) C4'-P energy: -17.050 bonds (distance) P-C4' energy: -18.193 flat angles C4'-P-C4' energy: -13.242 flat angles P-C4'-P energy: -14.013 tors. eta vs tors. theta energy: -21.056 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: 7 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -252.038879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.038879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.038879 (E_RNA) where: Base-Base interactions energy: -169.206 where: short stacking energy: -92.131 Base-Backbone interact. energy: -0.303 local terms energy: -82.530705 where: bonds (distance) C4'-P energy: -14.831 bonds (distance) P-C4' energy: -15.983 flat angles C4'-P-C4' energy: -18.819 flat angles P-C4'-P energy: -8.750 tors. eta vs tors. theta energy: -24.148 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: 5 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -246.107270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.107270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.107270 (E_RNA) where: Base-Base interactions energy: -174.092 where: short stacking energy: -92.606 Base-Backbone interact. energy: -0.474 local terms energy: -71.541136 where: bonds (distance) C4'-P energy: -12.836 bonds (distance) P-C4' energy: -16.159 flat angles C4'-P-C4' energy: -13.052 flat angles P-C4'-P energy: -7.021 tors. eta vs tors. theta energy: -22.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -224.351689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.351689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.351689 (E_RNA) where: Base-Base interactions energy: -149.046 where: short stacking energy: -74.434 Base-Backbone interact. energy: -0.091 local terms energy: -75.214285 where: bonds (distance) C4'-P energy: -12.662 bonds (distance) P-C4' energy: -16.743 flat angles C4'-P-C4' energy: -20.665 flat angles P-C4'-P energy: -7.637 tors. eta vs tors. theta energy: -17.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -214.430910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.430910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.430910 (E_RNA) where: Base-Base interactions energy: -141.606 where: short stacking energy: -65.810 Base-Backbone interact. energy: -0.383 local terms energy: -72.441944 where: bonds (distance) C4'-P energy: -16.782 bonds (distance) P-C4' energy: -12.789 flat angles C4'-P-C4' energy: -18.532 flat angles P-C4'-P energy: -8.287 tors. eta vs tors. theta energy: -16.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -220.083582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.083582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.083582 (E_RNA) where: Base-Base interactions energy: -153.309 where: short stacking energy: -73.558 Base-Backbone interact. energy: -0.382 local terms energy: -66.392292 where: bonds (distance) C4'-P energy: -14.142 bonds (distance) P-C4' energy: -14.034 flat angles C4'-P-C4' energy: -15.582 flat angles P-C4'-P energy: -5.661 tors. eta vs tors. theta energy: -16.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -183.165509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.165509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.165509 (E_RNA) where: Base-Base interactions energy: -128.190 where: short stacking energy: -53.579 Base-Backbone interact. energy: -0.523 local terms energy: -54.452142 where: bonds (distance) C4'-P energy: -5.429 bonds (distance) P-C4' energy: -6.707 flat angles C4'-P-C4' energy: -16.201 flat angles P-C4'-P energy: -8.636 tors. eta vs tors. theta energy: -17.479 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: 2 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -193.402921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.402921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.402921 (E_RNA) where: Base-Base interactions energy: -135.756 where: short stacking energy: -61.710 Base-Backbone interact. energy: -0.206 local terms energy: -57.440713 where: bonds (distance) C4'-P energy: -9.789 bonds (distance) P-C4' energy: -14.547 flat angles C4'-P-C4' energy: -14.531 flat angles P-C4'-P energy: -7.258 tors. eta vs tors. theta energy: -11.315 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: 6 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -285.697201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.697201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.697201 (E_RNA) where: Base-Base interactions energy: -208.647 where: short stacking energy: -95.713 Base-Backbone interact. energy: 0.842 local terms energy: -77.891889 where: bonds (distance) C4'-P energy: -16.446 bonds (distance) P-C4' energy: -12.770 flat angles C4'-P-C4' energy: -17.335 flat angles P-C4'-P energy: -11.548 tors. eta vs tors. theta energy: -19.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -277.558266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.558266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.558266 (E_RNA) where: Base-Base interactions energy: -197.424 where: short stacking energy: -84.101 Base-Backbone interact. energy: 0.300 local terms energy: -80.434220 where: bonds (distance) C4'-P energy: -12.067 bonds (distance) P-C4' energy: -19.033 flat angles C4'-P-C4' energy: -18.516 flat angles P-C4'-P energy: -12.000 tors. eta vs tors. theta energy: -18.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -271.886352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.886352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.886352 (E_RNA) where: Base-Base interactions energy: -185.128 where: short stacking energy: -82.250 Base-Backbone interact. energy: -0.425 local terms energy: -86.333888 where: bonds (distance) C4'-P energy: -17.010 bonds (distance) P-C4' energy: -19.614 flat angles C4'-P-C4' energy: -16.814 flat angles P-C4'-P energy: -12.114 tors. eta vs tors. theta energy: -20.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -241.175276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.175276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.175276 (E_RNA) where: Base-Base interactions energy: -166.614 where: short stacking energy: -88.230 Base-Backbone interact. energy: 0.383 local terms energy: -74.944444 where: bonds (distance) C4'-P energy: -18.685 bonds (distance) P-C4' energy: -14.878 flat angles C4'-P-C4' energy: -16.992 flat angles P-C4'-P energy: -2.551 tors. eta vs tors. theta energy: -21.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -232.267919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.267919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.267919 (E_RNA) where: Base-Base interactions energy: -157.083 where: short stacking energy: -78.090 Base-Backbone interact. energy: -0.309 local terms energy: -74.876664 where: bonds (distance) C4'-P energy: -16.430 bonds (distance) P-C4' energy: -14.951 flat angles C4'-P-C4' energy: -18.101 flat angles P-C4'-P energy: -6.418 tors. eta vs tors. theta energy: -18.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -218.184932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.184932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.184932 (E_RNA) where: Base-Base interactions energy: -141.849 where: short stacking energy: -62.412 Base-Backbone interact. energy: -0.280 local terms energy: -76.055866 where: bonds (distance) C4'-P energy: -17.357 bonds (distance) P-C4' energy: -14.337 flat angles C4'-P-C4' energy: -16.382 flat angles P-C4'-P energy: -13.110 tors. eta vs tors. theta energy: -14.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -215.855485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.855485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.855485 (E_RNA) where: Base-Base interactions energy: -140.477 where: short stacking energy: -63.055 Base-Backbone interact. energy: -0.004 local terms energy: -75.374318 where: bonds (distance) C4'-P energy: -16.585 bonds (distance) P-C4' energy: -19.488 flat angles C4'-P-C4' energy: -16.117 flat angles P-C4'-P energy: -8.471 tors. eta vs tors. theta energy: -14.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -222.130905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.130905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.130905 (E_RNA) where: Base-Base interactions energy: -152.616 where: short stacking energy: -60.085 Base-Backbone interact. energy: -2.264 local terms energy: -67.250435 where: bonds (distance) C4'-P energy: -14.243 bonds (distance) P-C4' energy: -14.188 flat angles C4'-P-C4' energy: -19.633 flat angles P-C4'-P energy: -5.323 tors. eta vs tors. theta energy: -13.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -217.479584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.479584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.479584 (E_RNA) where: Base-Base interactions energy: -146.968 where: short stacking energy: -75.416 Base-Backbone interact. energy: 1.046 local terms energy: -71.557186 where: bonds (distance) C4'-P energy: -15.029 bonds (distance) P-C4' energy: -13.746 flat angles C4'-P-C4' energy: -13.629 flat angles P-C4'-P energy: -12.069 tors. eta vs tors. theta energy: -17.084 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: 3 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -207.408332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.408332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.408332 (E_RNA) where: Base-Base interactions energy: -147.402 where: short stacking energy: -64.675 Base-Backbone interact. energy: -0.206 local terms energy: -59.800663 where: bonds (distance) C4'-P energy: -15.443 bonds (distance) P-C4' energy: -8.638 flat angles C4'-P-C4' energy: -13.816 flat angles P-C4'-P energy: -7.674 tors. eta vs tors. theta energy: -14.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -285.109881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.109881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.109881 (E_RNA) where: Base-Base interactions energy: -194.675 where: short stacking energy: -88.055 Base-Backbone interact. energy: -1.368 local terms energy: -89.066900 where: bonds (distance) C4'-P energy: -17.750 bonds (distance) P-C4' energy: -17.830 flat angles C4'-P-C4' energy: -19.222 flat angles P-C4'-P energy: -13.861 tors. eta vs tors. theta energy: -20.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -283.876879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.876879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.876879 (E_RNA) where: Base-Base interactions energy: -199.758 where: short stacking energy: -92.739 Base-Backbone interact. energy: -1.874 local terms energy: -82.245435 where: bonds (distance) C4'-P energy: -17.145 bonds (distance) P-C4' energy: -14.950 flat angles C4'-P-C4' energy: -17.687 flat angles P-C4'-P energy: -11.298 tors. eta vs tors. theta energy: -21.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -282.003963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.003963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.003963 (E_RNA) where: Base-Base interactions energy: -198.625 where: short stacking energy: -92.175 Base-Backbone interact. energy: -0.775 local terms energy: -82.603929 where: bonds (distance) C4'-P energy: -17.982 bonds (distance) P-C4' energy: -17.258 flat angles C4'-P-C4' energy: -18.918 flat angles P-C4'-P energy: -4.108 tors. eta vs tors. theta energy: -24.337 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: 4 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -241.725048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.725048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.725048 (E_RNA) where: Base-Base interactions energy: -164.499 where: short stacking energy: -76.093 Base-Backbone interact. energy: -0.272 local terms energy: -76.953608 where: bonds (distance) C4'-P energy: -16.758 bonds (distance) P-C4' energy: -15.797 flat angles C4'-P-C4' energy: -16.644 flat angles P-C4'-P energy: -9.176 tors. eta vs tors. theta energy: -18.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -229.799094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.799094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.799094 (E_RNA) where: Base-Base interactions energy: -161.346 where: short stacking energy: -78.503 Base-Backbone interact. energy: 0.244 local terms energy: -68.697076 where: bonds (distance) C4'-P energy: -8.869 bonds (distance) P-C4' energy: -15.685 flat angles C4'-P-C4' energy: -19.641 flat angles P-C4'-P energy: -6.909 tors. eta vs tors. theta energy: -17.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -240.809427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.809427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.809427 (E_RNA) where: Base-Base interactions energy: -152.384 where: short stacking energy: -69.320 Base-Backbone interact. energy: -1.426 local terms energy: -86.999731 where: bonds (distance) C4'-P energy: -19.874 bonds (distance) P-C4' energy: -18.369 flat angles C4'-P-C4' energy: -17.103 flat angles P-C4'-P energy: -12.204 tors. eta vs tors. theta energy: -19.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -213.858623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.858623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.858623 (E_RNA) where: Base-Base interactions energy: -135.211 where: short stacking energy: -73.753 Base-Backbone interact. energy: -1.049 local terms energy: -77.598140 where: bonds (distance) C4'-P energy: -16.795 bonds (distance) P-C4' energy: -17.985 flat angles C4'-P-C4' energy: -15.689 flat angles P-C4'-P energy: -9.810 tors. eta vs tors. theta energy: -17.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -202.034609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.034609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.034609 (E_RNA) where: Base-Base interactions energy: -127.618 where: short stacking energy: -61.892 Base-Backbone interact. energy: -0.145 local terms energy: -74.271542 where: bonds (distance) C4'-P energy: -18.640 bonds (distance) P-C4' energy: -18.333 flat angles C4'-P-C4' energy: -15.282 flat angles P-C4'-P energy: -9.608 tors. eta vs tors. theta energy: -12.409 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: 10 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -213.343408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.343408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.343408 (E_RNA) where: Base-Base interactions energy: -145.817 where: short stacking energy: -58.081 Base-Backbone interact. energy: 0.648 local terms energy: -68.174446 where: bonds (distance) C4'-P energy: -15.565 bonds (distance) P-C4' energy: -17.177 flat angles C4'-P-C4' energy: -16.928 flat angles P-C4'-P energy: -6.009 tors. eta vs tors. theta energy: -12.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -204.887892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.887892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.887892 (E_RNA) where: Base-Base interactions energy: -134.612 where: short stacking energy: -63.816 Base-Backbone interact. energy: -0.006 local terms energy: -70.269857 where: bonds (distance) C4'-P energy: -10.490 bonds (distance) P-C4' energy: -17.851 flat angles C4'-P-C4' energy: -14.123 flat angles P-C4'-P energy: -12.302 tors. eta vs tors. theta energy: -15.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -281.335948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.335948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.335948 (E_RNA) where: Base-Base interactions energy: -191.819 where: short stacking energy: -93.243 Base-Backbone interact. energy: -0.306 local terms energy: -89.211064 where: bonds (distance) C4'-P energy: -17.708 bonds (distance) P-C4' energy: -19.475 flat angles C4'-P-C4' energy: -19.201 flat angles P-C4'-P energy: -14.400 tors. eta vs tors. theta energy: -18.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -258.141030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.141030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.141030 (E_RNA) where: Base-Base interactions energy: -181.182 where: short stacking energy: -71.799 Base-Backbone interact. energy: -0.351 local terms energy: -76.608384 where: bonds (distance) C4'-P energy: -16.045 bonds (distance) P-C4' energy: -16.871 flat angles C4'-P-C4' energy: -19.673 flat angles P-C4'-P energy: -11.240 tors. eta vs tors. theta energy: -12.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -285.005459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.005459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.005459 (E_RNA) where: Base-Base interactions energy: -211.419 where: short stacking energy: -89.306 Base-Backbone interact. energy: -1.257 local terms energy: -72.329227 where: bonds (distance) C4'-P energy: -10.021 bonds (distance) P-C4' energy: -17.194 flat angles C4'-P-C4' energy: -14.685 flat angles P-C4'-P energy: -9.053 tors. eta vs tors. theta energy: -21.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -241.871323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.871323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.871323 (E_RNA) where: Base-Base interactions energy: -166.556 where: short stacking energy: -77.305 Base-Backbone interact. energy: -0.583 local terms energy: -74.732340 where: bonds (distance) C4'-P energy: -18.615 bonds (distance) P-C4' energy: -16.279 flat angles C4'-P-C4' energy: -13.951 flat angles P-C4'-P energy: -8.418 tors. eta vs tors. theta energy: -17.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -225.881146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.881146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.881146 (E_RNA) where: Base-Base interactions energy: -151.619 where: short stacking energy: -66.904 Base-Backbone interact. energy: -1.225 local terms energy: -73.037206 where: bonds (distance) C4'-P energy: -15.122 bonds (distance) P-C4' energy: -14.593 flat angles C4'-P-C4' energy: -16.085 flat angles P-C4'-P energy: -8.938 tors. eta vs tors. theta energy: -18.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -230.163244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.163244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.163244 (E_RNA) where: Base-Base interactions energy: -149.610 where: short stacking energy: -68.377 Base-Backbone interact. energy: -1.364 local terms energy: -79.189915 where: bonds (distance) C4'-P energy: -15.009 bonds (distance) P-C4' energy: -18.222 flat angles C4'-P-C4' energy: -17.758 flat angles P-C4'-P energy: -11.788 tors. eta vs tors. theta energy: -16.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -210.053775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.053775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.053775 (E_RNA) where: Base-Base interactions energy: -136.972 where: short stacking energy: -59.237 Base-Backbone interact. energy: 0.429 local terms energy: -73.511582 where: bonds (distance) C4'-P energy: -17.497 bonds (distance) P-C4' energy: -18.809 flat angles C4'-P-C4' energy: -15.441 flat angles P-C4'-P energy: -8.880 tors. eta vs tors. theta energy: -12.884 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: 5 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -219.892884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.892884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.892884 (E_RNA) where: Base-Base interactions energy: -148.511 where: short stacking energy: -72.639 Base-Backbone interact. energy: -0.390 local terms energy: -70.992657 where: bonds (distance) C4'-P energy: -14.258 bonds (distance) P-C4' energy: -16.307 flat angles C4'-P-C4' energy: -13.232 flat angles P-C4'-P energy: -12.346 tors. eta vs tors. theta energy: -14.849 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: 456 Temperature: 1.300000 Total energy: -210.766121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.766121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.766121 (E_RNA) where: Base-Base interactions energy: -140.957 where: short stacking energy: -65.458 Base-Backbone interact. energy: -0.212 local terms energy: -69.596881 where: bonds (distance) C4'-P energy: -10.803 bonds (distance) P-C4' energy: -18.125 flat angles C4'-P-C4' energy: -13.780 flat angles P-C4'-P energy: -11.396 tors. eta vs tors. theta energy: -15.493 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: 10 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -197.091287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.091287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.091287 (E_RNA) where: Base-Base interactions energy: -130.364 where: short stacking energy: -65.349 Base-Backbone interact. energy: -0.052 local terms energy: -66.674639 where: bonds (distance) C4'-P energy: -11.334 bonds (distance) P-C4' energy: -19.315 flat angles C4'-P-C4' energy: -13.726 flat angles P-C4'-P energy: -8.097 tors. eta vs tors. theta energy: -14.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -282.434303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.434303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.434303 (E_RNA) where: Base-Base interactions energy: -196.638 where: short stacking energy: -89.323 Base-Backbone interact. energy: -0.501 local terms energy: -85.295280 where: bonds (distance) C4'-P energy: -17.887 bonds (distance) P-C4' energy: -16.209 flat angles C4'-P-C4' energy: -20.495 flat angles P-C4'-P energy: -11.519 tors. eta vs tors. theta energy: -19.185 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: 9 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -279.625663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.625663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.625663 (E_RNA) where: Base-Base interactions energy: -197.233 where: short stacking energy: -84.961 Base-Backbone interact. energy: -2.278 local terms energy: -80.114968 where: bonds (distance) C4'-P energy: -14.159 bonds (distance) P-C4' energy: -18.361 flat angles C4'-P-C4' energy: -16.467 flat angles P-C4'-P energy: -13.334 tors. eta vs tors. theta energy: -17.793 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: 1 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -263.001618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.001618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.001618 (E_RNA) where: Base-Base interactions energy: -183.346 where: short stacking energy: -87.930 Base-Backbone interact. energy: -1.905 local terms energy: -77.750243 where: bonds (distance) C4'-P energy: -14.361 bonds (distance) P-C4' energy: -12.051 flat angles C4'-P-C4' energy: -16.623 flat angles P-C4'-P energy: -9.400 tors. eta vs tors. theta energy: -25.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -240.204340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.204340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.204340 (E_RNA) where: Base-Base interactions energy: -156.986 where: short stacking energy: -79.016 Base-Backbone interact. energy: -0.119 local terms energy: -83.099891 where: bonds (distance) C4'-P energy: -17.318 bonds (distance) P-C4' energy: -18.324 flat angles C4'-P-C4' energy: -15.995 flat angles P-C4'-P energy: -11.042 tors. eta vs tors. theta energy: -20.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -241.831817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.831817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.831817 (E_RNA) where: Base-Base interactions energy: -161.966 where: short stacking energy: -84.027 Base-Backbone interact. energy: -0.191 local terms energy: -79.675501 where: bonds (distance) C4'-P energy: -16.811 bonds (distance) P-C4' energy: -15.810 flat angles C4'-P-C4' energy: -18.311 flat angles P-C4'-P energy: -8.603 tors. eta vs tors. theta energy: -20.140 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: 8 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -227.887467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.887467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.887467 (E_RNA) where: Base-Base interactions energy: -158.035 where: short stacking energy: -79.485 Base-Backbone interact. energy: -0.553 local terms energy: -69.299483 where: bonds (distance) C4'-P energy: -16.463 bonds (distance) P-C4' energy: -12.110 flat angles C4'-P-C4' energy: -11.845 flat angles P-C4'-P energy: -8.487 tors. eta vs tors. theta energy: -20.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -211.842146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.842146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.842146 (E_RNA) where: Base-Base interactions energy: -136.931 where: short stacking energy: -58.357 Base-Backbone interact. energy: -0.114 local terms energy: -74.797363 where: bonds (distance) C4'-P energy: -15.482 bonds (distance) P-C4' energy: -16.138 flat angles C4'-P-C4' energy: -18.183 flat angles P-C4'-P energy: -11.231 tors. eta vs tors. theta energy: -13.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -218.224881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.224881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.224881 (E_RNA) where: Base-Base interactions energy: -150.115 where: short stacking energy: -67.067 Base-Backbone interact. energy: 0.101 local terms energy: -68.210691 where: bonds (distance) C4'-P energy: -16.756 bonds (distance) P-C4' energy: -14.885 flat angles C4'-P-C4' energy: -15.682 flat angles P-C4'-P energy: -7.878 tors. eta vs tors. theta energy: -13.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -217.376867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.376867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.376867 (E_RNA) where: Base-Base interactions energy: -151.188 where: short stacking energy: -62.143 Base-Backbone interact. energy: 1.116 local terms energy: -67.304921 where: bonds (distance) C4'-P energy: -15.655 bonds (distance) P-C4' energy: -15.988 flat angles C4'-P-C4' energy: -15.889 flat angles P-C4'-P energy: -6.207 tors. eta vs tors. theta energy: -13.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -186.954371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.954371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.954371 (E_RNA) where: Base-Base interactions energy: -130.642 where: short stacking energy: -61.484 Base-Backbone interact. energy: -0.143 local terms energy: -56.169448 where: bonds (distance) C4'-P energy: -14.465 bonds (distance) P-C4' energy: -14.199 flat angles C4'-P-C4' energy: -13.793 flat angles P-C4'-P energy: -0.861 tors. eta vs tors. theta energy: -12.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -287.983655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.983655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.983655 (E_RNA) where: Base-Base interactions energy: -197.618 where: short stacking energy: -87.985 Base-Backbone interact. energy: -0.998 local terms energy: -89.367605 where: bonds (distance) C4'-P energy: -15.755 bonds (distance) P-C4' energy: -18.661 flat angles C4'-P-C4' energy: -19.629 flat angles P-C4'-P energy: -11.277 tors. eta vs tors. theta energy: -24.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -280.703591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.703591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.703591 (E_RNA) where: Base-Base interactions energy: -200.014 where: short stacking energy: -92.015 Base-Backbone interact. energy: 2.891 local terms energy: -83.581045 where: bonds (distance) C4'-P energy: -14.296 bonds (distance) P-C4' energy: -18.815 flat angles C4'-P-C4' energy: -18.126 flat angles P-C4'-P energy: -10.139 tors. eta vs tors. theta energy: -22.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -278.437933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.437933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.437933 (E_RNA) where: Base-Base interactions energy: -199.870 where: short stacking energy: -90.597 Base-Backbone interact. energy: 0.623 local terms energy: -79.190722 where: bonds (distance) C4'-P energy: -16.315 bonds (distance) P-C4' energy: -14.517 flat angles C4'-P-C4' energy: -17.165 flat angles P-C4'-P energy: -9.669 tors. eta vs tors. theta energy: -21.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -242.475547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.475547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.475547 (E_RNA) where: Base-Base interactions energy: -157.535 where: short stacking energy: -80.559 Base-Backbone interact. energy: -0.619 local terms energy: -84.321737 where: bonds (distance) C4'-P energy: -16.776 bonds (distance) P-C4' energy: -19.550 flat angles C4'-P-C4' energy: -18.506 flat angles P-C4'-P energy: -8.196 tors. eta vs tors. theta energy: -21.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -241.731842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.731842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.731842 (E_RNA) where: Base-Base interactions energy: -165.217 where: short stacking energy: -83.471 Base-Backbone interact. energy: 0.833 local terms energy: -77.347641 where: bonds (distance) C4'-P energy: -11.777 bonds (distance) P-C4' energy: -15.070 flat angles C4'-P-C4' energy: -16.966 flat angles P-C4'-P energy: -13.998 tors. eta vs tors. theta energy: -19.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -226.572932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.572932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.572932 (E_RNA) where: Base-Base interactions energy: -153.335 where: short stacking energy: -73.463 Base-Backbone interact. energy: -0.183 local terms energy: -73.054917 where: bonds (distance) C4'-P energy: -12.773 bonds (distance) P-C4' energy: -15.390 flat angles C4'-P-C4' energy: -19.293 flat angles P-C4'-P energy: -7.485 tors. eta vs tors. theta energy: -18.114 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: 3 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -210.823952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.823952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.823952 (E_RNA) where: Base-Base interactions energy: -133.679 where: short stacking energy: -59.617 Base-Backbone interact. energy: 1.134 local terms energy: -78.279093 where: bonds (distance) C4'-P energy: -15.382 bonds (distance) P-C4' energy: -17.984 flat angles C4'-P-C4' energy: -19.322 flat angles P-C4'-P energy: -10.251 tors. eta vs tors. theta energy: -15.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -218.932941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.932941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.932941 (E_RNA) where: Base-Base interactions energy: -152.440 where: short stacking energy: -75.630 Base-Backbone interact. energy: -0.163 local terms energy: -66.329945 where: bonds (distance) C4'-P energy: -11.430 bonds (distance) P-C4' energy: -13.923 flat angles C4'-P-C4' energy: -15.888 flat angles P-C4'-P energy: -4.567 tors. eta vs tors. theta energy: -20.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -199.278371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.278371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.278371 (E_RNA) where: Base-Base interactions energy: -131.917 where: short stacking energy: -56.407 Base-Backbone interact. energy: 0.151 local terms energy: -67.512436 where: bonds (distance) C4'-P energy: -12.546 bonds (distance) P-C4' energy: -15.853 flat angles C4'-P-C4' energy: -19.024 flat angles P-C4'-P energy: -7.479 tors. eta vs tors. theta energy: -12.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -219.718623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.718623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.718623 (E_RNA) where: Base-Base interactions energy: -150.182 where: short stacking energy: -68.163 Base-Backbone interact. energy: -0.002 local terms energy: -69.534363 where: bonds (distance) C4'-P energy: -19.199 bonds (distance) P-C4' energy: -11.564 flat angles C4'-P-C4' energy: -15.239 flat angles P-C4'-P energy: -8.281 tors. eta vs tors. theta energy: -15.251 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: 9 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -278.362677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.362677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.362677 (E_RNA) where: Base-Base interactions energy: -193.996 where: short stacking energy: -82.109 Base-Backbone interact. energy: -0.299 local terms energy: -84.068009 where: bonds (distance) C4'-P energy: -13.875 bonds (distance) P-C4' energy: -16.241 flat angles C4'-P-C4' energy: -17.245 flat angles P-C4'-P energy: -15.132 tors. eta vs tors. theta energy: -21.575 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: 1 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -283.537494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.537494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.537494 (E_RNA) where: Base-Base interactions energy: -199.413 where: short stacking energy: -90.190 Base-Backbone interact. energy: -2.105 local terms energy: -82.019233 where: bonds (distance) C4'-P energy: -16.396 bonds (distance) P-C4' energy: -18.980 flat angles C4'-P-C4' energy: -18.153 flat angles P-C4'-P energy: -7.085 tors. eta vs tors. theta energy: -21.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -271.627225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.627225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.627225 (E_RNA) where: Base-Base interactions energy: -194.118 where: short stacking energy: -77.991 Base-Backbone interact. energy: -0.883 local terms energy: -76.626948 where: bonds (distance) C4'-P energy: -18.939 bonds (distance) P-C4' energy: -15.992 flat angles C4'-P-C4' energy: -15.637 flat angles P-C4'-P energy: -8.547 tors. eta vs tors. theta energy: -17.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -252.604662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.604662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.604662 (E_RNA) where: Base-Base interactions energy: -165.745 where: short stacking energy: -89.079 Base-Backbone interact. energy: -0.969 local terms energy: -85.891450 where: bonds (distance) C4'-P energy: -15.941 bonds (distance) P-C4' energy: -18.052 flat angles C4'-P-C4' energy: -18.340 flat angles P-C4'-P energy: -11.473 tors. eta vs tors. theta energy: -22.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -247.190861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.190861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.190861 (E_RNA) where: Base-Base interactions energy: -160.437 where: short stacking energy: -80.554 Base-Backbone interact. energy: -0.004 local terms energy: -86.750628 where: bonds (distance) C4'-P energy: -17.473 bonds (distance) P-C4' energy: -15.318 flat angles C4'-P-C4' energy: -20.057 flat angles P-C4'-P energy: -10.283 tors. eta vs tors. theta energy: -23.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -225.060788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.060788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.060788 (E_RNA) where: Base-Base interactions energy: -150.033 where: short stacking energy: -75.931 Base-Backbone interact. energy: 0.175 local terms energy: -75.202733 where: bonds (distance) C4'-P energy: -15.940 bonds (distance) P-C4' energy: -19.340 flat angles C4'-P-C4' energy: -15.892 flat angles P-C4'-P energy: -8.262 tors. eta vs tors. theta energy: -15.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -221.535950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.535950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.535950 (E_RNA) where: Base-Base interactions energy: -143.752 where: short stacking energy: -69.171 Base-Backbone interact. energy: -0.561 local terms energy: -77.222513 where: bonds (distance) C4'-P energy: -12.738 bonds (distance) P-C4' energy: -15.625 flat angles C4'-P-C4' energy: -15.990 flat angles P-C4'-P energy: -13.374 tors. eta vs tors. theta energy: -19.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -197.560086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.560086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.560086 (E_RNA) where: Base-Base interactions energy: -126.779 where: short stacking energy: -62.485 Base-Backbone interact. energy: -0.560 local terms energy: -70.220992 where: bonds (distance) C4'-P energy: -14.061 bonds (distance) P-C4' energy: -13.506 flat angles C4'-P-C4' energy: -16.835 flat angles P-C4'-P energy: -9.301 tors. eta vs tors. theta energy: -16.518 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: 5 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -204.863227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.863227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.863227 (E_RNA) where: Base-Base interactions energy: -143.062 where: short stacking energy: -70.870 Base-Backbone interact. energy: -0.098 local terms energy: -61.703722 where: bonds (distance) C4'-P energy: -9.813 bonds (distance) P-C4' energy: -12.455 flat angles C4'-P-C4' energy: -14.004 flat angles P-C4'-P energy: -7.468 tors. eta vs tors. theta energy: -17.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -196.362787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.362787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.362787 (E_RNA) where: Base-Base interactions energy: -122.146 where: short stacking energy: -58.287 Base-Backbone interact. energy: -0.053 local terms energy: -74.163795 where: bonds (distance) C4'-P energy: -15.246 bonds (distance) P-C4' energy: -18.612 flat angles C4'-P-C4' energy: -14.654 flat angles P-C4'-P energy: -10.601 tors. eta vs tors. theta energy: -15.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -277.099172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.099172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.099172 (E_RNA) where: Base-Base interactions energy: -195.902 where: short stacking energy: -81.882 Base-Backbone interact. energy: -0.983 local terms energy: -80.214313 where: bonds (distance) C4'-P energy: -15.866 bonds (distance) P-C4' energy: -15.931 flat angles C4'-P-C4' energy: -14.967 flat angles P-C4'-P energy: -12.195 tors. eta vs tors. theta energy: -21.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -278.013004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.013004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.013004 (E_RNA) where: Base-Base interactions energy: -198.423 where: short stacking energy: -80.025 Base-Backbone interact. energy: -0.401 local terms energy: -79.189219 where: bonds (distance) C4'-P energy: -13.974 bonds (distance) P-C4' energy: -18.005 flat angles C4'-P-C4' energy: -18.058 flat angles P-C4'-P energy: -10.333 tors. eta vs tors. theta energy: -18.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -264.528012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.528012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.528012 (E_RNA) where: Base-Base interactions energy: -195.181 where: short stacking energy: -83.379 Base-Backbone interact. energy: 0.734 local terms energy: -70.081121 where: bonds (distance) C4'-P energy: -12.115 bonds (distance) P-C4' energy: -18.104 flat angles C4'-P-C4' energy: -9.885 flat angles P-C4'-P energy: -11.278 tors. eta vs tors. theta energy: -18.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -242.133067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.133067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.133067 (E_RNA) where: Base-Base interactions energy: -156.658 where: short stacking energy: -81.077 Base-Backbone interact. energy: -0.002 local terms energy: -85.473422 where: bonds (distance) C4'-P energy: -17.656 bonds (distance) P-C4' energy: -17.030 flat angles C4'-P-C4' energy: -17.303 flat angles P-C4'-P energy: -12.952 tors. eta vs tors. theta energy: -20.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -225.504626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.504626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.504626 (E_RNA) where: Base-Base interactions energy: -148.789 where: short stacking energy: -69.093 Base-Backbone interact. energy: -0.206 local terms energy: -76.509869 where: bonds (distance) C4'-P energy: -15.469 bonds (distance) P-C4' energy: -19.306 flat angles C4'-P-C4' energy: -16.777 flat angles P-C4'-P energy: -7.651 tors. eta vs tors. theta energy: -17.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -236.267187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.267187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.267187 (E_RNA) where: Base-Base interactions energy: -157.305 where: short stacking energy: -76.225 Base-Backbone interact. energy: -0.443 local terms energy: -78.519321 where: bonds (distance) C4'-P energy: -18.069 bonds (distance) P-C4' energy: -16.179 flat angles C4'-P-C4' energy: -15.559 flat angles P-C4'-P energy: -11.543 tors. eta vs tors. theta energy: -17.169 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: 4 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -214.868812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.868812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.868812 (E_RNA) where: Base-Base interactions energy: -142.052 where: short stacking energy: -67.748 Base-Backbone interact. energy: -0.378 local terms energy: -72.438967 where: bonds (distance) C4'-P energy: -16.396 bonds (distance) P-C4' energy: -16.675 flat angles C4'-P-C4' energy: -15.849 flat angles P-C4'-P energy: -6.799 tors. eta vs tors. theta energy: -16.721 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: 2 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -204.061101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.061101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.061101 (E_RNA) where: Base-Base interactions energy: -138.891 where: short stacking energy: -59.965 Base-Backbone interact. energy: -0.366 local terms energy: -64.804228 where: bonds (distance) C4'-P energy: -11.906 bonds (distance) P-C4' energy: -16.891 flat angles C4'-P-C4' energy: -18.012 flat angles P-C4'-P energy: -2.616 tors. eta vs tors. theta energy: -15.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -204.741767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.741767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.741767 (E_RNA) where: Base-Base interactions energy: -136.265 where: short stacking energy: -62.938 Base-Backbone interact. energy: -0.415 local terms energy: -68.061540 where: bonds (distance) C4'-P energy: -16.271 bonds (distance) P-C4' energy: -13.520 flat angles C4'-P-C4' energy: -14.047 flat angles P-C4'-P energy: -11.590 tors. eta vs tors. theta energy: -12.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -204.224662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.224662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.224662 (E_RNA) where: Base-Base interactions energy: -138.652 where: short stacking energy: -62.961 Base-Backbone interact. energy: -0.108 local terms energy: -65.464040 where: bonds (distance) C4'-P energy: -14.263 bonds (distance) P-C4' energy: -16.043 flat angles C4'-P-C4' energy: -14.541 flat angles P-C4'-P energy: -11.378 tors. eta vs tors. theta energy: -9.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -289.051646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.051646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.051646 (E_RNA) where: Base-Base interactions energy: -206.517 where: short stacking energy: -81.797 Base-Backbone interact. energy: -0.554 local terms energy: -81.980358 where: bonds (distance) C4'-P energy: -19.025 bonds (distance) P-C4' energy: -14.557 flat angles C4'-P-C4' energy: -19.545 flat angles P-C4'-P energy: -8.785 tors. eta vs tors. theta energy: -20.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -278.309002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.309002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.309002 (E_RNA) where: Base-Base interactions energy: -194.506 where: short stacking energy: -81.350 Base-Backbone interact. energy: -2.067 local terms energy: -81.735519 where: bonds (distance) C4'-P energy: -16.624 bonds (distance) P-C4' energy: -17.012 flat angles C4'-P-C4' energy: -17.096 flat angles P-C4'-P energy: -10.491 tors. eta vs tors. theta energy: -20.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -280.642871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.642871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.642871 (E_RNA) where: Base-Base interactions energy: -197.537 where: short stacking energy: -83.194 Base-Backbone interact. energy: -0.574 local terms energy: -82.531332 where: bonds (distance) C4'-P energy: -14.965 bonds (distance) P-C4' energy: -18.773 flat angles C4'-P-C4' energy: -16.534 flat angles P-C4'-P energy: -10.503 tors. eta vs tors. theta energy: -21.757 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: 7 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -260.343307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.343307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.343307 (E_RNA) where: Base-Base interactions energy: -180.441 where: short stacking energy: -83.913 Base-Backbone interact. energy: -0.075 local terms energy: -79.827499 where: bonds (distance) C4'-P energy: -11.346 bonds (distance) P-C4' energy: -17.538 flat angles C4'-P-C4' energy: -18.559 flat angles P-C4'-P energy: -10.995 tors. eta vs tors. theta energy: -21.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -211.021695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.021695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.021695 (E_RNA) where: Base-Base interactions energy: -139.854 where: short stacking energy: -64.985 Base-Backbone interact. energy: -0.054 local terms energy: -71.114620 where: bonds (distance) C4'-P energy: -15.296 bonds (distance) P-C4' energy: -16.293 flat angles C4'-P-C4' energy: -16.711 flat angles P-C4'-P energy: -8.152 tors. eta vs tors. theta energy: -14.663 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: 8 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -224.216097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.216097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.216097 (E_RNA) where: Base-Base interactions energy: -157.824 where: short stacking energy: -74.676 Base-Backbone interact. energy: -0.019 local terms energy: -66.372408 where: bonds (distance) C4'-P energy: -10.521 bonds (distance) P-C4' energy: -16.172 flat angles C4'-P-C4' energy: -16.070 flat angles P-C4'-P energy: -5.546 tors. eta vs tors. theta energy: -18.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -219.717342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.717342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.717342 (E_RNA) where: Base-Base interactions energy: -152.137 where: short stacking energy: -69.811 Base-Backbone interact. energy: -0.352 local terms energy: -67.228598 where: bonds (distance) C4'-P energy: -11.942 bonds (distance) P-C4' energy: -13.597 flat angles C4'-P-C4' energy: -12.140 flat angles P-C4'-P energy: -12.749 tors. eta vs tors. theta energy: -16.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -217.743740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.743740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.743740 (E_RNA) where: Base-Base interactions energy: -151.628 where: short stacking energy: -74.753 Base-Backbone interact. energy: -0.078 local terms energy: -66.037498 where: bonds (distance) C4'-P energy: -8.203 bonds (distance) P-C4' energy: -14.331 flat angles C4'-P-C4' energy: -17.662 flat angles P-C4'-P energy: -10.694 tors. eta vs tors. theta energy: -15.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -211.234676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.234676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.234676 (E_RNA) where: Base-Base interactions energy: -139.668 where: short stacking energy: -66.246 Base-Backbone interact. energy: -0.542 local terms energy: -71.024626 where: bonds (distance) C4'-P energy: -12.451 bonds (distance) P-C4' energy: -16.710 flat angles C4'-P-C4' energy: -15.790 flat angles P-C4'-P energy: -11.278 tors. eta vs tors. theta energy: -14.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -203.902993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.902993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.902993 (E_RNA) where: Base-Base interactions energy: -145.770 where: short stacking energy: -69.687 Base-Backbone interact. energy: -0.052 local terms energy: -58.080837 where: bonds (distance) C4'-P energy: -4.097 bonds (distance) P-C4' energy: -15.074 flat angles C4'-P-C4' energy: -16.466 flat angles P-C4'-P energy: -10.875 tors. eta vs tors. theta energy: -11.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -284.108948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.108948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.108948 (E_RNA) where: Base-Base interactions energy: -193.459 where: short stacking energy: -80.963 Base-Backbone interact. energy: 0.349 local terms energy: -90.999033 where: bonds (distance) C4'-P energy: -19.236 bonds (distance) P-C4' energy: -19.500 flat angles C4'-P-C4' energy: -19.016 flat angles P-C4'-P energy: -12.191 tors. eta vs tors. theta energy: -21.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -282.396497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.396497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.396497 (E_RNA) where: Base-Base interactions energy: -202.446 where: short stacking energy: -83.764 Base-Backbone interact. energy: -1.705 local terms energy: -78.245468 where: bonds (distance) C4'-P energy: -16.353 bonds (distance) P-C4' energy: -15.591 flat angles C4'-P-C4' energy: -15.839 flat angles P-C4'-P energy: -10.148 tors. eta vs tors. theta energy: -20.314 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: 1 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -282.623749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.623749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.623749 (E_RNA) where: Base-Base interactions energy: -197.521 where: short stacking energy: -87.356 Base-Backbone interact. energy: -0.837 local terms energy: -84.265572 where: bonds (distance) C4'-P energy: -16.066 bonds (distance) P-C4' energy: -19.295 flat angles C4'-P-C4' energy: -17.988 flat angles P-C4'-P energy: -12.044 tors. eta vs tors. theta energy: -18.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -244.486290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.486290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.486290 (E_RNA) where: Base-Base interactions energy: -167.153 where: short stacking energy: -87.468 Base-Backbone interact. energy: -0.427 local terms energy: -76.906170 where: bonds (distance) C4'-P energy: -17.879 bonds (distance) P-C4' energy: -13.617 flat angles C4'-P-C4' energy: -14.249 flat angles P-C4'-P energy: -10.556 tors. eta vs tors. theta energy: -20.605 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: 5, replica: 3 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -243.622359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.622359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.622359 (E_RNA) where: Base-Base interactions energy: -170.450 where: short stacking energy: -85.714 Base-Backbone interact. energy: -0.813 local terms energy: -72.358818 where: bonds (distance) C4'-P energy: -12.717 bonds (distance) P-C4' energy: -15.379 flat angles C4'-P-C4' energy: -13.643 flat angles P-C4'-P energy: -6.250 tors. eta vs tors. theta energy: -24.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -226.930666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.930666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.930666 (E_RNA) where: Base-Base interactions energy: -156.724 where: short stacking energy: -69.880 Base-Backbone interact. energy: -1.133 local terms energy: -69.072883 where: bonds (distance) C4'-P energy: -13.809 bonds (distance) P-C4' energy: -16.973 flat angles C4'-P-C4' energy: -15.190 flat angles P-C4'-P energy: -8.218 tors. eta vs tors. theta energy: -14.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -212.532327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.532327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.532327 (E_RNA) where: Base-Base interactions energy: -140.571 where: short stacking energy: -61.648 Base-Backbone interact. energy: -0.222 local terms energy: -71.740118 where: bonds (distance) C4'-P energy: -16.116 bonds (distance) P-C4' energy: -14.016 flat angles C4'-P-C4' energy: -15.981 flat angles P-C4'-P energy: -10.371 tors. eta vs tors. theta energy: -15.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -213.108232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.108232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.108232 (E_RNA) where: Base-Base interactions energy: -141.960 where: short stacking energy: -68.477 Base-Backbone interact. energy: -0.429 local terms energy: -70.719521 where: bonds (distance) C4'-P energy: -10.631 bonds (distance) P-C4' energy: -17.245 flat angles C4'-P-C4' energy: -18.097 flat angles P-C4'-P energy: -6.788 tors. eta vs tors. theta energy: -17.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -211.658045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.658045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.658045 (E_RNA) where: Base-Base interactions energy: -144.605 where: short stacking energy: -63.945 Base-Backbone interact. energy: -0.755 local terms energy: -66.297850 where: bonds (distance) C4'-P energy: -15.494 bonds (distance) P-C4' energy: -15.137 flat angles C4'-P-C4' energy: -14.749 flat angles P-C4'-P energy: -8.593 tors. eta vs tors. theta energy: -12.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -212.111812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.111812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.111812 (E_RNA) where: Base-Base interactions energy: -138.652 where: short stacking energy: -56.535 Base-Backbone interact. energy: -1.040 local terms energy: -72.420247 where: bonds (distance) C4'-P energy: -14.877 bonds (distance) P-C4' energy: -17.541 flat angles C4'-P-C4' energy: -15.330 flat angles P-C4'-P energy: -11.633 tors. eta vs tors. theta energy: -13.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -285.690300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.690300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.690300 (E_RNA) where: Base-Base interactions energy: -197.831 where: short stacking energy: -81.783 Base-Backbone interact. energy: -2.389 local terms energy: -85.470580 where: bonds (distance) C4'-P energy: -16.905 bonds (distance) P-C4' energy: -20.052 flat angles C4'-P-C4' energy: -17.052 flat angles P-C4'-P energy: -9.646 tors. eta vs tors. theta energy: -21.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -289.368336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.368336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.368336 (E_RNA) where: Base-Base interactions energy: -202.242 where: short stacking energy: -90.086 Base-Backbone interact. energy: -2.871 local terms energy: -84.255285 where: bonds (distance) C4'-P energy: -11.805 bonds (distance) P-C4' energy: -18.582 flat angles C4'-P-C4' energy: -18.172 flat angles P-C4'-P energy: -13.258 tors. eta vs tors. theta energy: -22.438 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: 463 Temperature: 1.000000 Total energy: -279.114643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.114643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.114643 (E_RNA) where: Base-Base interactions energy: -194.558 where: short stacking energy: -89.392 Base-Backbone interact. energy: -1.053 local terms energy: -83.502944 where: bonds (distance) C4'-P energy: -15.192 bonds (distance) P-C4' energy: -18.607 flat angles C4'-P-C4' energy: -17.154 flat angles P-C4'-P energy: -10.611 tors. eta vs tors. theta energy: -21.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -238.338355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.338355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.338355 (E_RNA) where: Base-Base interactions energy: -160.863 where: short stacking energy: -78.073 Base-Backbone interact. energy: -0.370 local terms energy: -77.105846 where: bonds (distance) C4'-P energy: -13.914 bonds (distance) P-C4' energy: -12.765 flat angles C4'-P-C4' energy: -15.730 flat angles P-C4'-P energy: -13.503 tors. eta vs tors. theta energy: -21.194 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: 7 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -240.247990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.247990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.247990 (E_RNA) where: Base-Base interactions energy: -164.244 where: short stacking energy: -84.701 Base-Backbone interact. energy: -0.226 local terms energy: -75.777682 where: bonds (distance) C4'-P energy: -11.594 bonds (distance) P-C4' energy: -18.362 flat angles C4'-P-C4' energy: -15.834 flat angles P-C4'-P energy: -11.379 tors. eta vs tors. theta energy: -18.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -229.173747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.173747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.173747 (E_RNA) where: Base-Base interactions energy: -153.982 where: short stacking energy: -72.242 Base-Backbone interact. energy: -0.679 local terms energy: -74.512746 where: bonds (distance) C4'-P energy: -13.665 bonds (distance) P-C4' energy: -13.314 flat angles C4'-P-C4' energy: -18.657 flat angles P-C4'-P energy: -11.783 tors. eta vs tors. theta energy: -17.095 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: 7, replica: 8 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -218.332451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.332451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.332451 (E_RNA) where: Base-Base interactions energy: -154.899 where: short stacking energy: -68.137 Base-Backbone interact. energy: -0.112 local terms energy: -63.321649 where: bonds (distance) C4'-P energy: -11.224 bonds (distance) P-C4' energy: -11.375 flat angles C4'-P-C4' energy: -15.497 flat angles P-C4'-P energy: -8.929 tors. eta vs tors. theta energy: -16.296 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: 5 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -221.679423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.679423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.679423 (E_RNA) where: Base-Base interactions energy: -139.471 where: short stacking energy: -65.402 Base-Backbone interact. energy: -0.305 local terms energy: -81.904235 where: bonds (distance) C4'-P energy: -19.025 bonds (distance) P-C4' energy: -14.476 flat angles C4'-P-C4' energy: -18.444 flat angles P-C4'-P energy: -11.771 tors. eta vs tors. theta energy: -18.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -208.952561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.952561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.952561 (E_RNA) where: Base-Base interactions energy: -144.858 where: short stacking energy: -62.376 Base-Backbone interact. energy: -0.184 local terms energy: -63.910529 where: bonds (distance) C4'-P energy: -13.799 bonds (distance) P-C4' energy: -15.435 flat angles C4'-P-C4' energy: -14.124 flat angles P-C4'-P energy: -5.030 tors. eta vs tors. theta energy: -15.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -195.665400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.665400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.665400 (E_RNA) where: Base-Base interactions energy: -135.967 where: short stacking energy: -55.927 Base-Backbone interact. energy: -0.136 local terms energy: -59.562787 where: bonds (distance) C4'-P energy: -12.811 bonds (distance) P-C4' energy: -15.990 flat angles C4'-P-C4' energy: -16.926 flat angles P-C4'-P energy: -5.650 tors. eta vs tors. theta energy: -8.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -292.657404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.657404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.657404 (E_RNA) where: Base-Base interactions energy: -207.184 where: short stacking energy: -89.543 Base-Backbone interact. energy: -0.333 local terms energy: -85.140923 where: bonds (distance) C4'-P energy: -18.347 bonds (distance) P-C4' energy: -19.650 flat angles C4'-P-C4' energy: -17.034 flat angles P-C4'-P energy: -10.285 tors. eta vs tors. theta energy: -19.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -273.879649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.879649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.879649 (E_RNA) where: Base-Base interactions energy: -191.695 where: short stacking energy: -85.952 Base-Backbone interact. energy: -0.854 local terms energy: -81.331415 where: bonds (distance) C4'-P energy: -16.835 bonds (distance) P-C4' energy: -13.072 flat angles C4'-P-C4' energy: -21.605 flat angles P-C4'-P energy: -11.328 tors. eta vs tors. theta energy: -18.491 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: 3 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -248.273612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.273612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.273612 (E_RNA) where: Base-Base interactions energy: -166.739 where: short stacking energy: -79.721 Base-Backbone interact. energy: -0.717 local terms energy: -80.818218 where: bonds (distance) C4'-P energy: -16.654 bonds (distance) P-C4' energy: -17.018 flat angles C4'-P-C4' energy: -16.652 flat angles P-C4'-P energy: -12.558 tors. eta vs tors. theta energy: -17.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -275.693150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.693150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.693150 (E_RNA) where: Base-Base interactions energy: -198.817 where: short stacking energy: -88.197 Base-Backbone interact. energy: -0.671 local terms energy: -76.204670 where: bonds (distance) C4'-P energy: -15.933 bonds (distance) P-C4' energy: -15.729 flat angles C4'-P-C4' energy: -15.133 flat angles P-C4'-P energy: -10.098 tors. eta vs tors. theta energy: -19.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -240.378088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.378088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.378088 (E_RNA) where: Base-Base interactions energy: -160.853 where: short stacking energy: -79.747 Base-Backbone interact. energy: -0.336 local terms energy: -79.188742 where: bonds (distance) C4'-P energy: -16.806 bonds (distance) P-C4' energy: -18.353 flat angles C4'-P-C4' energy: -14.273 flat angles P-C4'-P energy: -11.507 tors. eta vs tors. theta energy: -18.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -222.961270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.961270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.961270 (E_RNA) where: Base-Base interactions energy: -154.535 where: short stacking energy: -70.239 Base-Backbone interact. energy: -0.021 local terms energy: -68.404899 where: bonds (distance) C4'-P energy: -8.368 bonds (distance) P-C4' energy: -19.819 flat angles C4'-P-C4' energy: -16.657 flat angles P-C4'-P energy: -10.981 tors. eta vs tors. theta energy: -12.581 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: 5 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -221.693158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.693158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.693158 (E_RNA) where: Base-Base interactions energy: -153.636 where: short stacking energy: -75.015 Base-Backbone interact. energy: 0.084 local terms energy: -68.141205 where: bonds (distance) C4'-P energy: -14.695 bonds (distance) P-C4' energy: -20.405 flat angles C4'-P-C4' energy: -9.384 flat angles P-C4'-P energy: -6.822 tors. eta vs tors. theta energy: -16.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -222.019042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.019042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.019042 (E_RNA) where: Base-Base interactions energy: -155.436 where: short stacking energy: -72.240 Base-Backbone interact. energy: -0.197 local terms energy: -66.385962 where: bonds (distance) C4'-P energy: -9.300 bonds (distance) P-C4' energy: -15.721 flat angles C4'-P-C4' energy: -15.247 flat angles P-C4'-P energy: -7.996 tors. eta vs tors. theta energy: -18.121 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: 2 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -202.550001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.550001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.550001 (E_RNA) where: Base-Base interactions energy: -141.630 where: short stacking energy: -62.040 Base-Backbone interact. energy: 0.823 local terms energy: -61.743281 where: bonds (distance) C4'-P energy: -17.605 bonds (distance) P-C4' energy: -12.160 flat angles C4'-P-C4' energy: -10.635 flat angles P-C4'-P energy: -9.920 tors. eta vs tors. theta energy: -11.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -207.245215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.245215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.245215 (E_RNA) where: Base-Base interactions energy: -132.699 where: short stacking energy: -60.671 Base-Backbone interact. energy: -0.271 local terms energy: -74.275913 where: bonds (distance) C4'-P energy: -12.317 bonds (distance) P-C4' energy: -16.896 flat angles C4'-P-C4' energy: -18.244 flat angles P-C4'-P energy: -10.593 tors. eta vs tors. theta energy: -16.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -289.263587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.263587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.263587 (E_RNA) where: Base-Base interactions energy: -203.489 where: short stacking energy: -88.212 Base-Backbone interact. energy: -1.627 local terms energy: -84.147420 where: bonds (distance) C4'-P energy: -16.417 bonds (distance) P-C4' energy: -16.009 flat angles C4'-P-C4' energy: -18.054 flat angles P-C4'-P energy: -14.401 tors. eta vs tors. theta energy: -19.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -274.921546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.921546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.921546 (E_RNA) where: Base-Base interactions energy: -193.965 where: short stacking energy: -85.152 Base-Backbone interact. energy: -0.058 local terms energy: -80.898965 where: bonds (distance) C4'-P energy: -15.781 bonds (distance) P-C4' energy: -16.212 flat angles C4'-P-C4' energy: -18.496 flat angles P-C4'-P energy: -12.834 tors. eta vs tors. theta energy: -17.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -252.967156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.967156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.967156 (E_RNA) where: Base-Base interactions energy: -176.768 where: short stacking energy: -82.602 Base-Backbone interact. energy: -0.451 local terms energy: -75.748754 where: bonds (distance) C4'-P energy: -16.346 bonds (distance) P-C4' energy: -16.548 flat angles C4'-P-C4' energy: -15.410 flat angles P-C4'-P energy: -10.547 tors. eta vs tors. theta energy: -16.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -280.641049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.641049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.641049 (E_RNA) where: Base-Base interactions energy: -197.205 where: short stacking energy: -82.942 Base-Backbone interact. energy: -0.662 local terms energy: -82.774227 where: bonds (distance) C4'-P energy: -14.215 bonds (distance) P-C4' energy: -18.128 flat angles C4'-P-C4' energy: -18.548 flat angles P-C4'-P energy: -11.280 tors. eta vs tors. theta energy: -20.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -232.857122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.857122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.857122 (E_RNA) where: Base-Base interactions energy: -162.115 where: short stacking energy: -83.501 Base-Backbone interact. energy: -0.260 local terms energy: -70.482146 where: bonds (distance) C4'-P energy: -13.908 bonds (distance) P-C4' energy: -13.750 flat angles C4'-P-C4' energy: -17.686 flat angles P-C4'-P energy: -4.563 tors. eta vs tors. theta energy: -20.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -200.530207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.530207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.530207 (E_RNA) where: Base-Base interactions energy: -143.917 where: short stacking energy: -70.639 Base-Backbone interact. energy: -0.054 local terms energy: -56.559367 where: bonds (distance) C4'-P energy: -12.868 bonds (distance) P-C4' energy: -10.904 flat angles C4'-P-C4' energy: -11.565 flat angles P-C4'-P energy: -8.240 tors. eta vs tors. theta energy: -12.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -215.813937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.813937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.813937 (E_RNA) where: Base-Base interactions energy: -145.190 where: short stacking energy: -68.986 Base-Backbone interact. energy: -0.058 local terms energy: -70.565924 where: bonds (distance) C4'-P energy: -14.815 bonds (distance) P-C4' energy: -15.231 flat angles C4'-P-C4' energy: -17.692 flat angles P-C4'-P energy: -8.916 tors. eta vs tors. theta energy: -13.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -238.351800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.351800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.351800 (E_RNA) where: Base-Base interactions energy: -162.080 where: short stacking energy: -69.110 Base-Backbone interact. energy: -1.410 local terms energy: -74.861989 where: bonds (distance) C4'-P energy: -15.464 bonds (distance) P-C4' energy: -17.591 flat angles C4'-P-C4' energy: -15.724 flat angles P-C4'-P energy: -9.508 tors. eta vs tors. theta energy: -16.575 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: 9, replica: 8 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -220.816155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.816155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.816155 (E_RNA) where: Base-Base interactions energy: -139.101 where: short stacking energy: -57.915 Base-Backbone interact. energy: -0.353 local terms energy: -81.361930 where: bonds (distance) C4'-P energy: -13.970 bonds (distance) P-C4' energy: -17.849 flat angles C4'-P-C4' energy: -19.874 flat angles P-C4'-P energy: -9.649 tors. eta vs tors. theta energy: -20.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -205.124860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.124860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.124860 (E_RNA) where: Base-Base interactions energy: -144.213 where: short stacking energy: -65.000 Base-Backbone interact. energy: -0.030 local terms energy: -60.881739 where: bonds (distance) C4'-P energy: -12.997 bonds (distance) P-C4' energy: -10.311 flat angles C4'-P-C4' energy: -14.882 flat angles P-C4'-P energy: -8.343 tors. eta vs tors. theta energy: -14.347 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: 1, replica: 1 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -289.023845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.023845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.023845 (E_RNA) where: Base-Base interactions energy: -198.910 where: short stacking energy: -91.695 Base-Backbone interact. energy: -1.283 local terms energy: -88.831041 where: bonds (distance) C4'-P energy: -19.324 bonds (distance) P-C4' energy: -19.889 flat angles C4'-P-C4' energy: -17.418 flat angles P-C4'-P energy: -9.728 tors. eta vs tors. theta energy: -22.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -286.186266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.186266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.186266 (E_RNA) where: Base-Base interactions energy: -200.041 where: short stacking energy: -95.895 Base-Backbone interact. energy: -0.519 local terms energy: -85.626285 where: bonds (distance) C4'-P energy: -15.088 bonds (distance) P-C4' energy: -18.887 flat angles C4'-P-C4' energy: -18.749 flat angles P-C4'-P energy: -10.297 tors. eta vs tors. theta energy: -22.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -272.499865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.499865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.499865 (E_RNA) where: Base-Base interactions energy: -192.140 where: short stacking energy: -82.553 Base-Backbone interact. energy: -3.447 local terms energy: -76.913204 where: bonds (distance) C4'-P energy: -12.992 bonds (distance) P-C4' energy: -14.497 flat angles C4'-P-C4' energy: -17.571 flat angles P-C4'-P energy: -12.470 tors. eta vs tors. theta energy: -19.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -249.756860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.756860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.756860 (E_RNA) where: Base-Base interactions energy: -166.526 where: short stacking energy: -74.973 Base-Backbone interact. energy: -0.003 local terms energy: -83.228220 where: bonds (distance) C4'-P energy: -19.709 bonds (distance) P-C4' energy: -12.238 flat angles C4'-P-C4' energy: -19.146 flat angles P-C4'-P energy: -11.957 tors. eta vs tors. theta energy: -20.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -241.097039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.097039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.097039 (E_RNA) where: Base-Base interactions energy: -171.696 where: short stacking energy: -88.390 Base-Backbone interact. energy: -0.160 local terms energy: -69.241509 where: bonds (distance) C4'-P energy: -9.763 bonds (distance) P-C4' energy: -8.648 flat angles C4'-P-C4' energy: -16.472 flat angles P-C4'-P energy: -12.698 tors. eta vs tors. theta energy: -21.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -248.946594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.946594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.946594 (E_RNA) where: Base-Base interactions energy: -163.710 where: short stacking energy: -81.670 Base-Backbone interact. energy: -0.757 local terms energy: -84.480216 where: bonds (distance) C4'-P energy: -18.669 bonds (distance) P-C4' energy: -17.280 flat angles C4'-P-C4' energy: -20.468 flat angles P-C4'-P energy: -7.537 tors. eta vs tors. theta energy: -20.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -240.003350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.003350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.003350 (E_RNA) where: Base-Base interactions energy: -160.247 where: short stacking energy: -59.218 Base-Backbone interact. energy: -0.821 local terms energy: -78.935144 where: bonds (distance) C4'-P energy: -19.112 bonds (distance) P-C4' energy: -14.681 flat angles C4'-P-C4' energy: -15.897 flat angles P-C4'-P energy: -13.030 tors. eta vs tors. theta energy: -16.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -217.579059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.579059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.579059 (E_RNA) where: Base-Base interactions energy: -145.125 where: short stacking energy: -66.884 Base-Backbone interact. energy: -0.559 local terms energy: -71.895057 where: bonds (distance) C4'-P energy: -14.492 bonds (distance) P-C4' energy: -18.505 flat angles C4'-P-C4' energy: -12.869 flat angles P-C4'-P energy: -11.063 tors. eta vs tors. theta energy: -14.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -201.201785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.201785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.201785 (E_RNA) where: Base-Base interactions energy: -136.301 where: short stacking energy: -63.821 Base-Backbone interact. energy: -0.378 local terms energy: -64.523437 where: bonds (distance) C4'-P energy: -17.530 bonds (distance) P-C4' energy: -11.885 flat angles C4'-P-C4' energy: -14.425 flat angles P-C4'-P energy: -8.094 tors. eta vs tors. theta energy: -12.589 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: 4 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -203.763180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.763180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.763180 (E_RNA) where: Base-Base interactions energy: -143.368 where: short stacking energy: -66.654 Base-Backbone interact. energy: -0.091 local terms energy: -60.304582 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -14.767 flat angles C4'-P-C4' energy: -10.219 flat angles P-C4'-P energy: -7.622 tors. eta vs tors. theta energy: -20.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -284.427322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.427322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.427322 (E_RNA) where: Base-Base interactions energy: -200.849 where: short stacking energy: -87.620 Base-Backbone interact. energy: -0.225 local terms energy: -83.353417 where: bonds (distance) C4'-P energy: -16.665 bonds (distance) P-C4' energy: -16.733 flat angles C4'-P-C4' energy: -13.095 flat angles P-C4'-P energy: -11.953 tors. eta vs tors. theta energy: -24.907 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: 6 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -285.649049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.649049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.649049 (E_RNA) where: Base-Base interactions energy: -200.556 where: short stacking energy: -92.875 Base-Backbone interact. energy: -0.346 local terms energy: -84.746792 where: bonds (distance) C4'-P energy: -17.192 bonds (distance) P-C4' energy: -15.890 flat angles C4'-P-C4' energy: -19.178 flat angles P-C4'-P energy: -10.327 tors. eta vs tors. theta energy: -22.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -285.132616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.132616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.132616 (E_RNA) where: Base-Base interactions energy: -201.796 where: short stacking energy: -87.289 Base-Backbone interact. energy: 0.309 local terms energy: -83.645435 where: bonds (distance) C4'-P energy: -16.856 bonds (distance) P-C4' energy: -16.037 flat angles C4'-P-C4' energy: -16.261 flat angles P-C4'-P energy: -10.393 tors. eta vs tors. theta energy: -24.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -239.452213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.452213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.452213 (E_RNA) where: Base-Base interactions energy: -158.739 where: short stacking energy: -84.118 Base-Backbone interact. energy: -0.131 local terms energy: -80.582405 where: bonds (distance) C4'-P energy: -15.711 bonds (distance) P-C4' energy: -18.857 flat angles C4'-P-C4' energy: -18.664 flat angles P-C4'-P energy: -11.319 tors. eta vs tors. theta energy: -16.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -229.759449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.759449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.759449 (E_RNA) where: Base-Base interactions energy: -155.005 where: short stacking energy: -75.927 Base-Backbone interact. energy: 0.703 local terms energy: -75.458097 where: bonds (distance) C4'-P energy: -15.843 bonds (distance) P-C4' energy: -13.255 flat angles C4'-P-C4' energy: -17.918 flat angles P-C4'-P energy: -10.200 tors. eta vs tors. theta energy: -18.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -247.014126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.014126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.014126 (E_RNA) where: Base-Base interactions energy: -171.530 where: short stacking energy: -77.308 Base-Backbone interact. energy: 0.716 local terms energy: -76.200844 where: bonds (distance) C4'-P energy: -17.134 bonds (distance) P-C4' energy: -20.200 flat angles C4'-P-C4' energy: -17.025 flat angles P-C4'-P energy: -3.534 tors. eta vs tors. theta energy: -18.307 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: 7, replica: 7 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -232.873309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.873309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.873309 (E_RNA) where: Base-Base interactions energy: -152.455 where: short stacking energy: -78.102 Base-Backbone interact. energy: -0.191 local terms energy: -80.227514 where: bonds (distance) C4'-P energy: -16.936 bonds (distance) P-C4' energy: -16.675 flat angles C4'-P-C4' energy: -19.376 flat angles P-C4'-P energy: -7.419 tors. eta vs tors. theta energy: -19.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -202.947074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.947074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.947074 (E_RNA) where: Base-Base interactions energy: -136.754 where: short stacking energy: -59.597 Base-Backbone interact. energy: -0.019 local terms energy: -66.173842 where: bonds (distance) C4'-P energy: -13.035 bonds (distance) P-C4' energy: -12.967 flat angles C4'-P-C4' energy: -17.445 flat angles P-C4'-P energy: -9.984 tors. eta vs tors. theta energy: -12.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -203.712301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.712301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.712301 (E_RNA) where: Base-Base interactions energy: -141.572 where: short stacking energy: -56.614 Base-Backbone interact. energy: -0.834 local terms energy: -61.307013 where: bonds (distance) C4'-P energy: -11.677 bonds (distance) P-C4' energy: -14.883 flat angles C4'-P-C4' energy: -17.668 flat angles P-C4'-P energy: -3.499 tors. eta vs tors. theta energy: -13.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -198.811691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.811691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.811691 (E_RNA) where: Base-Base interactions energy: -135.070 where: short stacking energy: -66.752 Base-Backbone interact. energy: 3.044 local terms energy: -66.786536 where: bonds (distance) C4'-P energy: -13.709 bonds (distance) P-C4' energy: -15.312 flat angles C4'-P-C4' energy: -10.417 flat angles P-C4'-P energy: -8.698 tors. eta vs tors. theta energy: -18.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -280.462451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.462451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.462451 (E_RNA) where: Base-Base interactions energy: -193.875 where: short stacking energy: -83.359 Base-Backbone interact. energy: -0.015 local terms energy: -86.572558 where: bonds (distance) C4'-P energy: -17.490 bonds (distance) P-C4' energy: -20.200 flat angles C4'-P-C4' energy: -20.029 flat angles P-C4'-P energy: -10.124 tors. eta vs tors. theta energy: -18.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -281.690684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.690684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.690684 (E_RNA) where: Base-Base interactions energy: -199.714 where: short stacking energy: -89.255 Base-Backbone interact. energy: -0.734 local terms energy: -81.242131 where: bonds (distance) C4'-P energy: -19.315 bonds (distance) P-C4' energy: -16.095 flat angles C4'-P-C4' energy: -17.253 flat angles P-C4'-P energy: -8.694 tors. eta vs tors. theta energy: -19.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -242.043262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.043262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.043262 (E_RNA) where: Base-Base interactions energy: -162.344 where: short stacking energy: -81.346 Base-Backbone interact. energy: -0.005 local terms energy: -79.694103 where: bonds (distance) C4'-P energy: -12.682 bonds (distance) P-C4' energy: -13.797 flat angles C4'-P-C4' energy: -17.486 flat angles P-C4'-P energy: -15.937 tors. eta vs tors. theta energy: -19.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -292.157126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.157126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.157126 (E_RNA) where: Base-Base interactions energy: -211.152 where: short stacking energy: -88.760 Base-Backbone interact. energy: -2.168 local terms energy: -78.836830 where: bonds (distance) C4'-P energy: -16.847 bonds (distance) P-C4' energy: -17.132 flat angles C4'-P-C4' energy: -16.585 flat angles P-C4'-P energy: -5.464 tors. eta vs tors. theta energy: -22.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -244.564581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.564581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.564581 (E_RNA) where: Base-Base interactions energy: -167.777 where: short stacking energy: -73.820 Base-Backbone interact. energy: 0.646 local terms energy: -77.433822 where: bonds (distance) C4'-P energy: -12.737 bonds (distance) P-C4' energy: -16.136 flat angles C4'-P-C4' energy: -18.659 flat angles P-C4'-P energy: -12.802 tors. eta vs tors. theta energy: -17.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -225.783026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.783026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.783026 (E_RNA) where: Base-Base interactions energy: -146.744 where: short stacking energy: -72.712 Base-Backbone interact. energy: 0.328 local terms energy: -79.367501 where: bonds (distance) C4'-P energy: -15.151 bonds (distance) P-C4' energy: -15.676 flat angles C4'-P-C4' energy: -18.357 flat angles P-C4'-P energy: -11.665 tors. eta vs tors. theta energy: -18.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -222.198956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.198956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.198956 (E_RNA) where: Base-Base interactions energy: -142.194 where: short stacking energy: -71.901 Base-Backbone interact. energy: -0.621 local terms energy: -79.384180 where: bonds (distance) C4'-P energy: -12.591 bonds (distance) P-C4' energy: -18.230 flat angles C4'-P-C4' energy: -19.666 flat angles P-C4'-P energy: -10.842 tors. eta vs tors. theta energy: -18.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -228.402758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.402758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.402758 (E_RNA) where: Base-Base interactions energy: -153.275 where: short stacking energy: -79.045 Base-Backbone interact. energy: -0.103 local terms energy: -75.024813 where: bonds (distance) C4'-P energy: -14.451 bonds (distance) P-C4' energy: -13.865 flat angles C4'-P-C4' energy: -16.312 flat angles P-C4'-P energy: -9.646 tors. eta vs tors. theta energy: -20.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -207.282993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.282993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.282993 (E_RNA) where: Base-Base interactions energy: -132.533 where: short stacking energy: -60.028 Base-Backbone interact. energy: -0.178 local terms energy: -74.571019 where: bonds (distance) C4'-P energy: -18.099 bonds (distance) P-C4' energy: -17.535 flat angles C4'-P-C4' energy: -17.148 flat angles P-C4'-P energy: -9.517 tors. eta vs tors. theta energy: -12.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -187.187271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.187271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.187271 (E_RNA) where: Base-Base interactions energy: -123.245 where: short stacking energy: -49.739 Base-Backbone interact. energy: -0.548 local terms energy: -63.394243 where: bonds (distance) C4'-P energy: -13.355 bonds (distance) P-C4' energy: -15.862 flat angles C4'-P-C4' energy: -15.359 flat angles P-C4'-P energy: -8.715 tors. eta vs tors. theta energy: -10.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -277.823464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.823464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.823464 (E_RNA) where: Base-Base interactions energy: -193.778 where: short stacking energy: -89.759 Base-Backbone interact. energy: -1.056 local terms energy: -82.989560 where: bonds (distance) C4'-P energy: -20.152 bonds (distance) P-C4' energy: -16.973 flat angles C4'-P-C4' energy: -15.920 flat angles P-C4'-P energy: -10.384 tors. eta vs tors. theta energy: -19.561 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: 469 Temperature: 0.950000 Total energy: -267.979283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.979283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.979283 (E_RNA) where: Base-Base interactions energy: -180.862 where: short stacking energy: -99.012 Base-Backbone interact. energy: -0.439 local terms energy: -86.678759 where: bonds (distance) C4'-P energy: -16.613 bonds (distance) P-C4' energy: -18.225 flat angles C4'-P-C4' energy: -20.648 flat angles P-C4'-P energy: -7.914 tors. eta vs tors. theta energy: -23.278 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: 6 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -263.190978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.190978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.190978 (E_RNA) where: Base-Base interactions energy: -194.092 where: short stacking energy: -83.046 Base-Backbone interact. energy: -0.958 local terms energy: -68.141121 where: bonds (distance) C4'-P energy: -16.137 bonds (distance) P-C4' energy: -6.408 flat angles C4'-P-C4' energy: -17.912 flat angles P-C4'-P energy: -10.748 tors. eta vs tors. theta energy: -16.936 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: 2 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -257.938404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.938404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.938404 (E_RNA) where: Base-Base interactions energy: -177.347 where: short stacking energy: -81.375 Base-Backbone interact. energy: -0.367 local terms energy: -80.224347 where: bonds (distance) C4'-P energy: -18.236 bonds (distance) P-C4' energy: -18.126 flat angles C4'-P-C4' energy: -15.972 flat angles P-C4'-P energy: -10.843 tors. eta vs tors. theta energy: -17.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -249.364542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.364542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.364542 (E_RNA) where: Base-Base interactions energy: -174.305 where: short stacking energy: -71.167 Base-Backbone interact. energy: -1.820 local terms energy: -73.240305 where: bonds (distance) C4'-P energy: -13.826 bonds (distance) P-C4' energy: -12.984 flat angles C4'-P-C4' energy: -15.065 flat angles P-C4'-P energy: -13.375 tors. eta vs tors. theta energy: -17.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -227.438473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.438473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.438473 (E_RNA) where: Base-Base interactions energy: -151.008 where: short stacking energy: -70.156 Base-Backbone interact. energy: -0.503 local terms energy: -75.927018 where: bonds (distance) C4'-P energy: -13.767 bonds (distance) P-C4' energy: -15.757 flat angles C4'-P-C4' energy: -16.440 flat angles P-C4'-P energy: -13.898 tors. eta vs tors. theta energy: -16.065 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: 469 Temperature: 1.200000 Total energy: -226.732165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.732165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.732165 (E_RNA) where: Base-Base interactions energy: -149.646 where: short stacking energy: -71.322 Base-Backbone interact. energy: -0.103 local terms energy: -76.982946 where: bonds (distance) C4'-P energy: -18.512 bonds (distance) P-C4' energy: -11.608 flat angles C4'-P-C4' energy: -16.762 flat angles P-C4'-P energy: -11.800 tors. eta vs tors. theta energy: -18.301 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: 4 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -212.526861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.526861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.526861 (E_RNA) where: Base-Base interactions energy: -141.211 where: short stacking energy: -69.620 Base-Backbone interact. energy: -0.091 local terms energy: -71.224662 where: bonds (distance) C4'-P energy: -12.874 bonds (distance) P-C4' energy: -19.450 flat angles C4'-P-C4' energy: -14.996 flat angles P-C4'-P energy: -10.277 tors. eta vs tors. theta energy: -13.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -210.190948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.190948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.190948 (E_RNA) where: Base-Base interactions energy: -142.930 where: short stacking energy: -65.764 Base-Backbone interact. energy: -0.526 local terms energy: -66.734899 where: bonds (distance) C4'-P energy: -8.843 bonds (distance) P-C4' energy: -14.007 flat angles C4'-P-C4' energy: -18.214 flat angles P-C4'-P energy: -10.905 tors. eta vs tors. theta energy: -14.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -194.706642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.706642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.706642 (E_RNA) where: Base-Base interactions energy: -127.719 where: short stacking energy: -54.603 Base-Backbone interact. energy: 0.855 local terms energy: -67.842742 where: bonds (distance) C4'-P energy: -14.116 bonds (distance) P-C4' energy: -19.718 flat angles C4'-P-C4' energy: -13.323 flat angles P-C4'-P energy: -5.367 tors. eta vs tors. theta energy: -15.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -280.762984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.762984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.762984 (E_RNA) where: Base-Base interactions energy: -191.509 where: short stacking energy: -81.581 Base-Backbone interact. energy: -1.422 local terms energy: -87.831188 where: bonds (distance) C4'-P energy: -16.466 bonds (distance) P-C4' energy: -17.037 flat angles C4'-P-C4' energy: -19.680 flat angles P-C4'-P energy: -14.715 tors. eta vs tors. theta energy: -19.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -270.623156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.623156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.623156 (E_RNA) where: Base-Base interactions energy: -179.987 where: short stacking energy: -87.833 Base-Backbone interact. energy: -0.314 local terms energy: -90.322696 where: bonds (distance) C4'-P energy: -16.330 bonds (distance) P-C4' energy: -20.605 flat angles C4'-P-C4' energy: -18.560 flat angles P-C4'-P energy: -10.989 tors. eta vs tors. theta energy: -23.839 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: 2 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -268.266888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.266888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.266888 (E_RNA) where: Base-Base interactions energy: -187.774 where: short stacking energy: -89.423 Base-Backbone interact. energy: 0.109 local terms energy: -80.601484 where: bonds (distance) C4'-P energy: -17.832 bonds (distance) P-C4' energy: -16.520 flat angles C4'-P-C4' energy: -17.918 flat angles P-C4'-P energy: -11.719 tors. eta vs tors. theta energy: -16.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -271.682838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.682838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.682838 (E_RNA) where: Base-Base interactions energy: -192.144 where: short stacking energy: -85.078 Base-Backbone interact. energy: -0.967 local terms energy: -78.572313 where: bonds (distance) C4'-P energy: -12.824 bonds (distance) P-C4' energy: -19.212 flat angles C4'-P-C4' energy: -17.359 flat angles P-C4'-P energy: -11.515 tors. eta vs tors. theta energy: -17.662 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: 9 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -271.591166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.591166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.591166 (E_RNA) where: Base-Base interactions energy: -193.731 where: short stacking energy: -78.384 Base-Backbone interact. energy: -1.374 local terms energy: -76.486472 where: bonds (distance) C4'-P energy: -14.712 bonds (distance) P-C4' energy: -15.431 flat angles C4'-P-C4' energy: -17.717 flat angles P-C4'-P energy: -7.009 tors. eta vs tors. theta energy: -21.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -230.246795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.246795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.246795 (E_RNA) where: Base-Base interactions energy: -158.467 where: short stacking energy: -75.910 Base-Backbone interact. energy: 1.217 local terms energy: -72.996924 where: bonds (distance) C4'-P energy: -14.973 bonds (distance) P-C4' energy: -19.449 flat angles C4'-P-C4' energy: -13.986 flat angles P-C4'-P energy: -7.147 tors. eta vs tors. theta energy: -17.442 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: 4 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -222.464146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.464146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.464146 (E_RNA) where: Base-Base interactions energy: -156.513 where: short stacking energy: -71.782 Base-Backbone interact. energy: -0.260 local terms energy: -65.691519 where: bonds (distance) C4'-P energy: -11.262 bonds (distance) P-C4' energy: -12.437 flat angles C4'-P-C4' energy: -18.034 flat angles P-C4'-P energy: -6.807 tors. eta vs tors. theta energy: -17.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -226.977361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.977361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.977361 (E_RNA) where: Base-Base interactions energy: -150.605 where: short stacking energy: -81.734 Base-Backbone interact. energy: -0.001 local terms energy: -76.371024 where: bonds (distance) C4'-P energy: -16.885 bonds (distance) P-C4' energy: -13.032 flat angles C4'-P-C4' energy: -17.301 flat angles P-C4'-P energy: -8.758 tors. eta vs tors. theta energy: -20.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -227.791947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.791947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.791947 (E_RNA) where: Base-Base interactions energy: -155.842 where: short stacking energy: -73.004 Base-Backbone interact. energy: -0.284 local terms energy: -71.666017 where: bonds (distance) C4'-P energy: -15.961 bonds (distance) P-C4' energy: -13.442 flat angles C4'-P-C4' energy: -17.552 flat angles P-C4'-P energy: -4.735 tors. eta vs tors. theta energy: -19.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -209.239063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.239063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.239063 (E_RNA) where: Base-Base interactions energy: -135.909 where: short stacking energy: -62.620 Base-Backbone interact. energy: -0.257 local terms energy: -73.072993 where: bonds (distance) C4'-P energy: -16.409 bonds (distance) P-C4' energy: -18.007 flat angles C4'-P-C4' energy: -19.877 flat angles P-C4'-P energy: -5.516 tors. eta vs tors. theta energy: -13.264 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: 1, replica: 1 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -291.791301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.791301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.791301 (E_RNA) where: Base-Base interactions energy: -208.523 where: short stacking energy: -91.115 Base-Backbone interact. energy: -1.659 local terms energy: -81.609077 where: bonds (distance) C4'-P energy: -12.944 bonds (distance) P-C4' energy: -16.307 flat angles C4'-P-C4' energy: -18.524 flat angles P-C4'-P energy: -10.500 tors. eta vs tors. theta energy: -23.335 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: 2, replica: 10 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -269.379271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.379271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.379271 (E_RNA) where: Base-Base interactions energy: -181.713 where: short stacking energy: -94.103 Base-Backbone interact. energy: -0.006 local terms energy: -87.660551 where: bonds (distance) C4'-P energy: -17.697 bonds (distance) P-C4' energy: -19.079 flat angles C4'-P-C4' energy: -18.619 flat angles P-C4'-P energy: -6.007 tors. eta vs tors. theta energy: -26.258 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: 2 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -270.870894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.870894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.870894 (E_RNA) where: Base-Base interactions energy: -189.525 where: short stacking energy: -79.839 Base-Backbone interact. energy: -0.208 local terms energy: -81.138218 where: bonds (distance) C4'-P energy: -17.792 bonds (distance) P-C4' energy: -19.059 flat angles C4'-P-C4' energy: -18.342 flat angles P-C4'-P energy: -8.881 tors. eta vs tors. theta energy: -17.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -279.685265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.685265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.685265 (E_RNA) where: Base-Base interactions energy: -194.549 where: short stacking energy: -85.021 Base-Backbone interact. energy: -2.333 local terms energy: -82.803529 where: bonds (distance) C4'-P energy: -16.872 bonds (distance) P-C4' energy: -15.119 flat angles C4'-P-C4' energy: -18.561 flat angles P-C4'-P energy: -10.902 tors. eta vs tors. theta energy: -21.349 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: 5, replica: 6 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -256.315454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.315454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.315454 (E_RNA) where: Base-Base interactions energy: -181.902 where: short stacking energy: -76.339 Base-Backbone interact. energy: -0.951 local terms energy: -73.462351 where: bonds (distance) C4'-P energy: -12.753 bonds (distance) P-C4' energy: -12.504 flat angles C4'-P-C4' energy: -17.180 flat angles P-C4'-P energy: -12.892 tors. eta vs tors. theta energy: -18.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -226.921751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.921751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.921751 (E_RNA) where: Base-Base interactions energy: -147.760 where: short stacking energy: -68.934 Base-Backbone interact. energy: -0.339 local terms energy: -78.822854 where: bonds (distance) C4'-P energy: -16.033 bonds (distance) P-C4' energy: -18.825 flat angles C4'-P-C4' energy: -19.016 flat angles P-C4'-P energy: -8.775 tors. eta vs tors. theta energy: -16.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -229.405698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.405698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.405698 (E_RNA) where: Base-Base interactions energy: -148.711 where: short stacking energy: -72.039 Base-Backbone interact. energy: -0.088 local terms energy: -80.607051 where: bonds (distance) C4'-P energy: -17.530 bonds (distance) P-C4' energy: -16.966 flat angles C4'-P-C4' energy: -20.156 flat angles P-C4'-P energy: -5.931 tors. eta vs tors. theta energy: -20.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -210.559693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.559693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.559693 (E_RNA) where: Base-Base interactions energy: -142.232 where: short stacking energy: -66.566 Base-Backbone interact. energy: -0.000 local terms energy: -68.326985 where: bonds (distance) C4'-P energy: -11.260 bonds (distance) P-C4' energy: -14.959 flat angles C4'-P-C4' energy: -17.823 flat angles P-C4'-P energy: -7.619 tors. eta vs tors. theta energy: -16.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -222.967439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.967439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.967439 (E_RNA) where: Base-Base interactions energy: -152.402 where: short stacking energy: -75.437 Base-Backbone interact. energy: -0.295 local terms energy: -70.270685 where: bonds (distance) C4'-P energy: -9.363 bonds (distance) P-C4' energy: -15.050 flat angles C4'-P-C4' energy: -19.099 flat angles P-C4'-P energy: -7.944 tors. eta vs tors. theta energy: -18.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -206.949203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.949203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.949203 (E_RNA) where: Base-Base interactions energy: -140.418 where: short stacking energy: -66.199 Base-Backbone interact. energy: -0.167 local terms energy: -66.363688 where: bonds (distance) C4'-P energy: -9.789 bonds (distance) P-C4' energy: -15.709 flat angles C4'-P-C4' energy: -17.586 flat angles P-C4'-P energy: -8.895 tors. eta vs tors. theta energy: -14.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -295.463163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.463163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.463163 (E_RNA) where: Base-Base interactions energy: -201.720 where: short stacking energy: -90.036 Base-Backbone interact. energy: -2.218 local terms energy: -91.525442 where: bonds (distance) C4'-P energy: -18.517 bonds (distance) P-C4' energy: -19.522 flat angles C4'-P-C4' energy: -19.412 flat angles P-C4'-P energy: -9.931 tors. eta vs tors. theta energy: -24.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -278.873255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.873255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.873255 (E_RNA) where: Base-Base interactions energy: -185.283 where: short stacking energy: -96.507 Base-Backbone interact. energy: -0.000 local terms energy: -93.590095 where: bonds (distance) C4'-P energy: -17.063 bonds (distance) P-C4' energy: -18.279 flat angles C4'-P-C4' energy: -20.170 flat angles P-C4'-P energy: -12.178 tors. eta vs tors. theta energy: -25.900 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: 9 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -284.796476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.796476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.796476 (E_RNA) where: Base-Base interactions energy: -196.696 where: short stacking energy: -78.028 Base-Backbone interact. energy: -1.043 local terms energy: -87.057677 where: bonds (distance) C4'-P energy: -19.261 bonds (distance) P-C4' energy: -19.725 flat angles C4'-P-C4' energy: -17.889 flat angles P-C4'-P energy: -6.763 tors. eta vs tors. theta energy: -23.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -272.571846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.571846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.571846 (E_RNA) where: Base-Base interactions energy: -189.515 where: short stacking energy: -82.732 Base-Backbone interact. energy: -2.772 local terms energy: -80.284468 where: bonds (distance) C4'-P energy: -14.960 bonds (distance) P-C4' energy: -13.660 flat angles C4'-P-C4' energy: -17.052 flat angles P-C4'-P energy: -10.249 tors. eta vs tors. theta energy: -24.364 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: 6 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -261.291780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.291780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.291780 (E_RNA) where: Base-Base interactions energy: -186.605 where: short stacking energy: -83.829 Base-Backbone interact. energy: -1.235 local terms energy: -73.451778 where: bonds (distance) C4'-P energy: -18.321 bonds (distance) P-C4' energy: -15.352 flat angles C4'-P-C4' energy: -17.291 flat angles P-C4'-P energy: -8.365 tors. eta vs tors. theta energy: -14.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -226.196575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.196575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.196575 (E_RNA) where: Base-Base interactions energy: -144.599 where: short stacking energy: -67.666 Base-Backbone interact. energy: -0.643 local terms energy: -80.954788 where: bonds (distance) C4'-P energy: -16.625 bonds (distance) P-C4' energy: -20.652 flat angles C4'-P-C4' energy: -17.097 flat angles P-C4'-P energy: -12.170 tors. eta vs tors. theta energy: -14.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -209.612486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.612486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.612486 (E_RNA) where: Base-Base interactions energy: -136.687 where: short stacking energy: -61.398 Base-Backbone interact. energy: -0.395 local terms energy: -72.530328 where: bonds (distance) C4'-P energy: -12.438 bonds (distance) P-C4' energy: -17.167 flat angles C4'-P-C4' energy: -15.622 flat angles P-C4'-P energy: -8.906 tors. eta vs tors. theta energy: -18.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -208.399058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.399058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.399058 (E_RNA) where: Base-Base interactions energy: -136.497 where: short stacking energy: -65.040 Base-Backbone interact. energy: 1.235 local terms energy: -73.137509 where: bonds (distance) C4'-P energy: -17.460 bonds (distance) P-C4' energy: -12.102 flat angles C4'-P-C4' energy: -17.636 flat angles P-C4'-P energy: -13.908 tors. eta vs tors. theta energy: -12.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -194.077443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.077443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.077443 (E_RNA) where: Base-Base interactions energy: -129.549 where: short stacking energy: -55.571 Base-Backbone interact. energy: -0.644 local terms energy: -63.884565 where: bonds (distance) C4'-P energy: -14.648 bonds (distance) P-C4' energy: -13.704 flat angles C4'-P-C4' energy: -15.930 flat angles P-C4'-P energy: -8.941 tors. eta vs tors. theta energy: -10.662 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: 8 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -188.263524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.263524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.263524 (E_RNA) where: Base-Base interactions energy: -122.345 where: short stacking energy: -56.060 Base-Backbone interact. energy: -0.667 local terms energy: -65.250981 where: bonds (distance) C4'-P energy: -11.578 bonds (distance) P-C4' energy: -11.446 flat angles C4'-P-C4' energy: -16.514 flat angles P-C4'-P energy: -7.802 tors. eta vs tors. theta energy: -17.911 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: 1 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -281.332913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.332913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.332913 (E_RNA) where: Base-Base interactions energy: -208.944 where: short stacking energy: -94.741 Base-Backbone interact. energy: -0.562 local terms energy: -71.826392 where: bonds (distance) C4'-P energy: -16.826 bonds (distance) P-C4' energy: -14.701 flat angles C4'-P-C4' energy: -13.834 flat angles P-C4'-P energy: -6.728 tors. eta vs tors. theta energy: -19.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -282.468428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.468428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.468428 (E_RNA) where: Base-Base interactions energy: -200.790 where: short stacking energy: -92.666 Base-Backbone interact. energy: -1.738 local terms energy: -79.940904 where: bonds (distance) C4'-P energy: -15.597 bonds (distance) P-C4' energy: -18.724 flat angles C4'-P-C4' energy: -13.076 flat angles P-C4'-P energy: -10.240 tors. eta vs tors. theta energy: -22.303 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: 473 Temperature: 1.000000 Total energy: -257.168168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.168168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.168168 (E_RNA) where: Base-Base interactions energy: -167.262 where: short stacking energy: -81.136 Base-Backbone interact. energy: -0.221 local terms energy: -89.684996 where: bonds (distance) C4'-P energy: -16.360 bonds (distance) P-C4' energy: -20.137 flat angles C4'-P-C4' energy: -19.310 flat angles P-C4'-P energy: -10.710 tors. eta vs tors. theta energy: -23.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -273.214474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.214474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.214474 (E_RNA) where: Base-Base interactions energy: -186.683 where: short stacking energy: -82.920 Base-Backbone interact. energy: 1.097 local terms energy: -87.629075 where: bonds (distance) C4'-P energy: -17.646 bonds (distance) P-C4' energy: -18.773 flat angles C4'-P-C4' energy: -18.178 flat angles P-C4'-P energy: -10.992 tors. eta vs tors. theta energy: -22.040 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: 473 Temperature: 1.100000 Total energy: -253.537744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.537744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.537744 (E_RNA) where: Base-Base interactions energy: -182.681 where: short stacking energy: -73.288 Base-Backbone interact. energy: -1.158 local terms energy: -69.699345 where: bonds (distance) C4'-P energy: -15.461 bonds (distance) P-C4' energy: -11.943 flat angles C4'-P-C4' energy: -11.763 flat angles P-C4'-P energy: -13.234 tors. eta vs tors. theta energy: -17.299 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: 7 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -219.623346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.623346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.623346 (E_RNA) where: Base-Base interactions energy: -147.389 where: short stacking energy: -72.828 Base-Backbone interact. energy: -0.567 local terms energy: -71.667110 where: bonds (distance) C4'-P energy: -15.108 bonds (distance) P-C4' energy: -11.534 flat angles C4'-P-C4' energy: -15.526 flat angles P-C4'-P energy: -9.216 tors. eta vs tors. theta energy: -20.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -219.505674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.505674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.505674 (E_RNA) where: Base-Base interactions energy: -144.450 where: short stacking energy: -67.471 Base-Backbone interact. energy: -0.737 local terms energy: -74.317715 where: bonds (distance) C4'-P energy: -14.794 bonds (distance) P-C4' energy: -14.139 flat angles C4'-P-C4' energy: -17.384 flat angles P-C4'-P energy: -9.996 tors. eta vs tors. theta energy: -18.006 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: 5 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -213.991036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.991036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.991036 (E_RNA) where: Base-Base interactions energy: -146.692 where: short stacking energy: -68.496 Base-Backbone interact. energy: -0.528 local terms energy: -66.771128 where: bonds (distance) C4'-P energy: -15.374 bonds (distance) P-C4' energy: -12.188 flat angles C4'-P-C4' energy: -17.743 flat angles P-C4'-P energy: -8.812 tors. eta vs tors. theta energy: -12.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -214.624873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.624873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.624873 (E_RNA) where: Base-Base interactions energy: -142.860 where: short stacking energy: -61.699 Base-Backbone interact. energy: -0.087 local terms energy: -71.678144 where: bonds (distance) C4'-P energy: -15.023 bonds (distance) P-C4' energy: -11.334 flat angles C4'-P-C4' energy: -16.611 flat angles P-C4'-P energy: -12.154 tors. eta vs tors. theta energy: -16.556 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: 8 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -198.958560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.958560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.958560 (E_RNA) where: Base-Base interactions energy: -137.253 where: short stacking energy: -64.349 Base-Backbone interact. energy: 2.009 local terms energy: -63.714451 where: bonds (distance) C4'-P energy: -9.734 bonds (distance) P-C4' energy: -13.494 flat angles C4'-P-C4' energy: -13.776 flat angles P-C4'-P energy: -8.308 tors. eta vs tors. theta energy: -18.402 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: 1, replica: 9 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -290.936975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.936975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.936975 (E_RNA) where: Base-Base interactions energy: -216.588 where: short stacking energy: -84.125 Base-Backbone interact. energy: 0.430 local terms energy: -74.779009 where: bonds (distance) C4'-P energy: -16.772 bonds (distance) P-C4' energy: -15.938 flat angles C4'-P-C4' energy: -14.481 flat angles P-C4'-P energy: -7.266 tors. eta vs tors. theta energy: -20.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -282.625776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.625776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.625776 (E_RNA) where: Base-Base interactions energy: -200.305 where: short stacking energy: -84.779 Base-Backbone interact. energy: -2.336 local terms energy: -79.984244 where: bonds (distance) C4'-P energy: -13.200 bonds (distance) P-C4' energy: -15.695 flat angles C4'-P-C4' energy: -15.776 flat angles P-C4'-P energy: -11.937 tors. eta vs tors. theta energy: -23.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -277.104777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.104777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.104777 (E_RNA) where: Base-Base interactions energy: -187.366 where: short stacking energy: -82.537 Base-Backbone interact. energy: -0.654 local terms energy: -89.085212 where: bonds (distance) C4'-P energy: -18.587 bonds (distance) P-C4' energy: -19.986 flat angles C4'-P-C4' energy: -17.819 flat angles P-C4'-P energy: -11.752 tors. eta vs tors. theta energy: -20.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -243.772355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.772355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.772355 (E_RNA) where: Base-Base interactions energy: -162.566 where: short stacking energy: -82.858 Base-Backbone interact. energy: -0.387 local terms energy: -80.818452 where: bonds (distance) C4'-P energy: -12.894 bonds (distance) P-C4' energy: -19.671 flat angles C4'-P-C4' energy: -17.361 flat angles P-C4'-P energy: -9.264 tors. eta vs tors. theta energy: -21.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -258.368344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.368344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.368344 (E_RNA) where: Base-Base interactions energy: -182.450 where: short stacking energy: -80.148 Base-Backbone interact. energy: -0.285 local terms energy: -75.633583 where: bonds (distance) C4'-P energy: -13.461 bonds (distance) P-C4' energy: -15.933 flat angles C4'-P-C4' energy: -17.131 flat angles P-C4'-P energy: -11.304 tors. eta vs tors. theta energy: -17.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -224.127843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.127843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.127843 (E_RNA) where: Base-Base interactions energy: -149.587 where: short stacking energy: -66.313 Base-Backbone interact. energy: -0.259 local terms energy: -74.282046 where: bonds (distance) C4'-P energy: -10.627 bonds (distance) P-C4' energy: -18.710 flat angles C4'-P-C4' energy: -16.761 flat angles P-C4'-P energy: -11.586 tors. eta vs tors. theta energy: -16.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -225.792003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.792003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.792003 (E_RNA) where: Base-Base interactions energy: -154.507 where: short stacking energy: -75.125 Base-Backbone interact. energy: -0.497 local terms energy: -70.787464 where: bonds (distance) C4'-P energy: -18.330 bonds (distance) P-C4' energy: -17.783 flat angles C4'-P-C4' energy: -11.907 flat angles P-C4'-P energy: -4.071 tors. eta vs tors. theta energy: -18.698 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: 4 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -206.860103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.860103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.860103 (E_RNA) where: Base-Base interactions energy: -139.253 where: short stacking energy: -58.264 Base-Backbone interact. energy: -0.121 local terms energy: -67.485631 where: bonds (distance) C4'-P energy: -11.506 bonds (distance) P-C4' energy: -16.856 flat angles C4'-P-C4' energy: -17.371 flat angles P-C4'-P energy: -9.490 tors. eta vs tors. theta energy: -12.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -198.046913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.046913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.046913 (E_RNA) where: Base-Base interactions energy: -138.858 where: short stacking energy: -56.462 Base-Backbone interact. energy: -0.363 local terms energy: -58.826376 where: bonds (distance) C4'-P energy: -8.150 bonds (distance) P-C4' energy: -9.816 flat angles C4'-P-C4' energy: -15.115 flat angles P-C4'-P energy: -12.057 tors. eta vs tors. theta energy: -13.689 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: 10, replica: 3 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -194.116403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.116403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.116403 (E_RNA) where: Base-Base interactions energy: -134.133 where: short stacking energy: -60.315 Base-Backbone interact. energy: -0.292 local terms energy: -59.690749 where: bonds (distance) C4'-P energy: -12.515 bonds (distance) P-C4' energy: -14.579 flat angles C4'-P-C4' energy: -12.869 flat angles P-C4'-P energy: -12.180 tors. eta vs tors. theta energy: -7.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -297.717603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.717603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.717603 (E_RNA) where: Base-Base interactions energy: -220.763 where: short stacking energy: -98.415 Base-Backbone interact. energy: -0.278 local terms energy: -76.676404 where: bonds (distance) C4'-P energy: -11.404 bonds (distance) P-C4' energy: -15.416 flat angles C4'-P-C4' energy: -19.753 flat angles P-C4'-P energy: -9.512 tors. eta vs tors. theta energy: -20.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -285.584811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.584811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.584811 (E_RNA) where: Base-Base interactions energy: -200.120 where: short stacking energy: -88.608 Base-Backbone interact. energy: -1.259 local terms energy: -84.205641 where: bonds (distance) C4'-P energy: -18.083 bonds (distance) P-C4' energy: -17.835 flat angles C4'-P-C4' energy: -17.831 flat angles P-C4'-P energy: -9.679 tors. eta vs tors. theta energy: -20.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -276.729566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.729566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.729566 (E_RNA) where: Base-Base interactions energy: -196.981 where: short stacking energy: -86.047 Base-Backbone interact. energy: -1.277 local terms energy: -78.471503 where: bonds (distance) C4'-P energy: -15.932 bonds (distance) P-C4' energy: -19.343 flat angles C4'-P-C4' energy: -15.436 flat angles P-C4'-P energy: -10.394 tors. eta vs tors. theta energy: -17.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -270.024701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.024701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.024701 (E_RNA) where: Base-Base interactions energy: -185.237 where: short stacking energy: -80.914 Base-Backbone interact. energy: -0.993 local terms energy: -83.794185 where: bonds (distance) C4'-P energy: -15.109 bonds (distance) P-C4' energy: -17.949 flat angles C4'-P-C4' energy: -18.408 flat angles P-C4'-P energy: -10.341 tors. eta vs tors. theta energy: -21.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -234.092591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.092591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.092591 (E_RNA) where: Base-Base interactions energy: -153.947 where: short stacking energy: -79.487 Base-Backbone interact. energy: -0.623 local terms energy: -79.522977 where: bonds (distance) C4'-P energy: -13.689 bonds (distance) P-C4' energy: -16.334 flat angles C4'-P-C4' energy: -18.361 flat angles P-C4'-P energy: -8.986 tors. eta vs tors. theta energy: -22.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -232.179667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.179667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.179667 (E_RNA) where: Base-Base interactions energy: -155.198 where: short stacking energy: -81.546 Base-Backbone interact. energy: -0.274 local terms energy: -76.707618 where: bonds (distance) C4'-P energy: -9.494 bonds (distance) P-C4' energy: -17.338 flat angles C4'-P-C4' energy: -14.781 flat angles P-C4'-P energy: -13.408 tors. eta vs tors. theta energy: -21.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -225.136453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.136453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.136453 (E_RNA) where: Base-Base interactions energy: -150.097 where: short stacking energy: -70.151 Base-Backbone interact. energy: -0.100 local terms energy: -74.938713 where: bonds (distance) C4'-P energy: -17.518 bonds (distance) P-C4' energy: -14.049 flat angles C4'-P-C4' energy: -17.324 flat angles P-C4'-P energy: -11.596 tors. eta vs tors. theta energy: -14.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -211.683638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.683638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.683638 (E_RNA) where: Base-Base interactions energy: -149.549 where: short stacking energy: -71.329 Base-Backbone interact. energy: 1.482 local terms energy: -63.616631 where: bonds (distance) C4'-P energy: -12.959 bonds (distance) P-C4' energy: -17.727 flat angles C4'-P-C4' energy: -11.192 flat angles P-C4'-P energy: -4.489 tors. eta vs tors. theta energy: -17.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -212.535971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.535971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.535971 (E_RNA) where: Base-Base interactions energy: -148.282 where: short stacking energy: -73.795 Base-Backbone interact. energy: -0.006 local terms energy: -64.247234 where: bonds (distance) C4'-P energy: -11.707 bonds (distance) P-C4' energy: -16.040 flat angles C4'-P-C4' energy: -16.267 flat angles P-C4'-P energy: -8.999 tors. eta vs tors. theta energy: -11.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -203.283112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.283112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.283112 (E_RNA) where: Base-Base interactions energy: -134.063 where: short stacking energy: -66.187 Base-Backbone interact. energy: 1.503 local terms energy: -70.722609 where: bonds (distance) C4'-P energy: -13.526 bonds (distance) P-C4' energy: -15.933 flat angles C4'-P-C4' energy: -12.314 flat angles P-C4'-P energy: -11.714 tors. eta vs tors. theta energy: -17.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -296.372319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.372319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.372319 (E_RNA) where: Base-Base interactions energy: -211.308 where: short stacking energy: -87.293 Base-Backbone interact. energy: -1.072 local terms energy: -83.992395 where: bonds (distance) C4'-P energy: -15.390 bonds (distance) P-C4' energy: -16.128 flat angles C4'-P-C4' energy: -19.283 flat angles P-C4'-P energy: -11.035 tors. eta vs tors. theta energy: -22.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -276.694247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.694247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.694247 (E_RNA) where: Base-Base interactions energy: -198.892 where: short stacking energy: -85.507 Base-Backbone interact. energy: -0.950 local terms energy: -76.853030 where: bonds (distance) C4'-P energy: -17.469 bonds (distance) P-C4' energy: -17.222 flat angles C4'-P-C4' energy: -17.267 flat angles P-C4'-P energy: -4.994 tors. eta vs tors. theta energy: -19.901 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: 2 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -274.167036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.167036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.167036 (E_RNA) where: Base-Base interactions energy: -190.238 where: short stacking energy: -81.522 Base-Backbone interact. energy: -0.960 local terms energy: -82.968775 where: bonds (distance) C4'-P energy: -16.571 bonds (distance) P-C4' energy: -17.685 flat angles C4'-P-C4' energy: -16.138 flat angles P-C4'-P energy: -11.377 tors. eta vs tors. theta energy: -21.198 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: 4, replica: 1 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -268.550896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.550896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.550896 (E_RNA) where: Base-Base interactions energy: -200.594 where: short stacking energy: -81.800 Base-Backbone interact. energy: -0.538 local terms energy: -67.418667 where: bonds (distance) C4'-P energy: -11.137 bonds (distance) P-C4' energy: -12.858 flat angles C4'-P-C4' energy: -17.826 flat angles P-C4'-P energy: -7.288 tors. eta vs tors. theta energy: -18.310 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: 476 Temperature: 1.100000 Total energy: -244.641540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.641540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.641540 (E_RNA) where: Base-Base interactions energy: -159.082 where: short stacking energy: -82.246 Base-Backbone interact. energy: -0.206 local terms energy: -85.353515 where: bonds (distance) C4'-P energy: -14.251 bonds (distance) P-C4' energy: -18.110 flat angles C4'-P-C4' energy: -19.094 flat angles P-C4'-P energy: -11.719 tors. eta vs tors. theta energy: -22.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -222.500012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.500012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.500012 (E_RNA) where: Base-Base interactions energy: -150.020 where: short stacking energy: -69.603 Base-Backbone interact. energy: -0.283 local terms energy: -72.197286 where: bonds (distance) C4'-P energy: -13.955 bonds (distance) P-C4' energy: -16.863 flat angles C4'-P-C4' energy: -16.574 flat angles P-C4'-P energy: -10.676 tors. eta vs tors. theta energy: -14.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -233.396370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.396370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.396370 (E_RNA) where: Base-Base interactions energy: -147.713 where: short stacking energy: -82.309 Base-Backbone interact. energy: -0.003 local terms energy: -85.680168 where: bonds (distance) C4'-P energy: -15.119 bonds (distance) P-C4' energy: -17.737 flat angles C4'-P-C4' energy: -16.262 flat angles P-C4'-P energy: -11.982 tors. eta vs tors. theta energy: -24.581 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: 7 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -208.942131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.942131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.942131 (E_RNA) where: Base-Base interactions energy: -144.692 where: short stacking energy: -62.627 Base-Backbone interact. energy: -0.505 local terms energy: -63.745730 where: bonds (distance) C4'-P energy: -13.341 bonds (distance) P-C4' energy: -17.543 flat angles C4'-P-C4' energy: -13.999 flat angles P-C4'-P energy: -8.922 tors. eta vs tors. theta energy: -9.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -215.206392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.206392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.206392 (E_RNA) where: Base-Base interactions energy: -146.608 where: short stacking energy: -74.510 Base-Backbone interact. energy: -0.055 local terms energy: -68.543349 where: bonds (distance) C4'-P energy: -9.569 bonds (distance) P-C4' energy: -14.521 flat angles C4'-P-C4' energy: -15.612 flat angles P-C4'-P energy: -10.120 tors. eta vs tors. theta energy: -18.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -206.145840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.145840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.145840 (E_RNA) where: Base-Base interactions energy: -132.428 where: short stacking energy: -65.210 Base-Backbone interact. energy: -0.275 local terms energy: -73.443377 where: bonds (distance) C4'-P energy: -15.068 bonds (distance) P-C4' energy: -19.550 flat angles C4'-P-C4' energy: -16.448 flat angles P-C4'-P energy: -5.440 tors. eta vs tors. theta energy: -16.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) out arg RESULTS//1/h-b91eff09_01 DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 6 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -298.726377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.726377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.726377 (E_RNA) where: Base-Base interactions energy: -208.953 where: short stacking energy: -88.755 Base-Backbone interact. energy: -3.301 local terms energy: -86.472460 where: bonds (distance) C4'-P energy: -17.853 bonds (distance) P-C4' energy: -16.827 flat angles C4'-P-C4' energy: -18.337 flat angles P-C4'-P energy: -9.503 tors. eta vs tors. theta energy: -23.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -285.267520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.267520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.267520 (E_RNA) where: Base-Base interactions energy: -194.675 where: short stacking energy: -79.247 Base-Backbone interact. energy: -0.462 local terms energy: -90.130339 where: bonds (distance) C4'-P energy: -17.949 bonds (distance) P-C4' energy: -19.539 flat angles C4'-P-C4' energy: -20.221 flat angles P-C4'-P energy: -11.687 tors. eta vs tors. theta energy: -20.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -269.915881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.915881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.915881 (E_RNA) where: Base-Base interactions energy: -188.764 where: short stacking energy: -79.237 Base-Backbone interact. energy: -1.577 local terms energy: -79.575034 where: bonds (distance) C4'-P energy: -17.667 bonds (distance) P-C4' energy: -20.169 flat angles C4'-P-C4' energy: -15.970 flat angles P-C4'-P energy: -8.041 tors. eta vs tors. theta energy: -17.729 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: 1 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -259.923052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.923052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.923052 (E_RNA) where: Base-Base interactions energy: -180.289 where: short stacking energy: -69.389 Base-Backbone interact. energy: -1.378 local terms energy: -78.255886 where: bonds (distance) C4'-P energy: -16.118 bonds (distance) P-C4' energy: -16.065 flat angles C4'-P-C4' energy: -15.461 flat angles P-C4'-P energy: -11.690 tors. eta vs tors. theta energy: -18.922 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: 5 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -240.837300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.837300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.837300 (E_RNA) where: Base-Base interactions energy: -161.127 where: short stacking energy: -83.261 Base-Backbone interact. energy: -0.075 local terms energy: -79.634951 where: bonds (distance) C4'-P energy: -17.290 bonds (distance) P-C4' energy: -17.674 flat angles C4'-P-C4' energy: -13.377 flat angles P-C4'-P energy: -7.713 tors. eta vs tors. theta energy: -23.581 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: 4 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -232.721573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.721573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.721573 (E_RNA) where: Base-Base interactions energy: -155.294 where: short stacking energy: -82.234 Base-Backbone interact. energy: -0.558 local terms energy: -76.869100 where: bonds (distance) C4'-P energy: -12.695 bonds (distance) P-C4' energy: -14.418 flat angles C4'-P-C4' energy: -15.837 flat angles P-C4'-P energy: -10.177 tors. eta vs tors. theta energy: -23.742 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: 10 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -225.314389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.314389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.314389 (E_RNA) where: Base-Base interactions energy: -153.937 where: short stacking energy: -69.428 Base-Backbone interact. energy: -1.078 local terms energy: -70.299609 where: bonds (distance) C4'-P energy: -15.910 bonds (distance) P-C4' energy: -16.936 flat angles C4'-P-C4' energy: -16.216 flat angles P-C4'-P energy: -5.856 tors. eta vs tors. theta energy: -15.383 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: 3 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -224.417189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.417189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.417189 (E_RNA) where: Base-Base interactions energy: -164.358 where: short stacking energy: -69.946 Base-Backbone interact. energy: 0.075 local terms energy: -60.133917 where: bonds (distance) C4'-P energy: -11.963 bonds (distance) P-C4' energy: -13.129 flat angles C4'-P-C4' energy: -16.071 flat angles P-C4'-P energy: -5.522 tors. eta vs tors. theta energy: -13.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -196.154480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.154480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.154480 (E_RNA) where: Base-Base interactions energy: -129.044 where: short stacking energy: -59.272 Base-Backbone interact. energy: -0.111 local terms energy: -66.999109 where: bonds (distance) C4'-P energy: -17.346 bonds (distance) P-C4' energy: -14.663 flat angles C4'-P-C4' energy: -13.746 flat angles P-C4'-P energy: -10.981 tors. eta vs tors. theta energy: -10.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -210.681291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.681291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.681291 (E_RNA) where: Base-Base interactions energy: -136.708 where: short stacking energy: -60.246 Base-Backbone interact. energy: -0.138 local terms energy: -73.835304 where: bonds (distance) C4'-P energy: -17.549 bonds (distance) P-C4' energy: -15.504 flat angles C4'-P-C4' energy: -15.393 flat angles P-C4'-P energy: -13.574 tors. eta vs tors. theta energy: -11.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 9 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -295.119101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.119101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.119101 (E_RNA) where: Base-Base interactions energy: -204.722 where: short stacking energy: -88.758 Base-Backbone interact. energy: -3.135 local terms energy: -87.262629 where: bonds (distance) C4'-P energy: -15.545 bonds (distance) P-C4' energy: -17.640 flat angles C4'-P-C4' energy: -19.467 flat angles P-C4'-P energy: -12.469 tors. eta vs tors. theta energy: -22.141 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: 6 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -288.931039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.931039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.931039 (E_RNA) where: Base-Base interactions energy: -207.060 where: short stacking energy: -80.359 Base-Backbone interact. energy: -0.391 local terms energy: -81.480812 where: bonds (distance) C4'-P energy: -14.658 bonds (distance) P-C4' energy: -15.944 flat angles C4'-P-C4' energy: -15.661 flat angles P-C4'-P energy: -12.357 tors. eta vs tors. theta energy: -22.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -265.452838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.452838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.452838 (E_RNA) where: Base-Base interactions energy: -193.619 where: short stacking energy: -86.641 Base-Backbone interact. energy: 2.077 local terms energy: -73.910440 where: bonds (distance) C4'-P energy: -11.942 bonds (distance) P-C4' energy: -15.201 flat angles C4'-P-C4' energy: -17.113 flat angles P-C4'-P energy: -12.240 tors. eta vs tors. theta energy: -17.414 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: 2 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -272.061645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.061645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.061645 (E_RNA) where: Base-Base interactions energy: -188.633 where: short stacking energy: -83.155 Base-Backbone interact. energy: -1.097 local terms energy: -82.332360 where: bonds (distance) C4'-P energy: -17.693 bonds (distance) P-C4' energy: -17.999 flat angles C4'-P-C4' energy: -15.807 flat angles P-C4'-P energy: -10.239 tors. eta vs tors. theta energy: -20.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -244.591497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.591497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.591497 (E_RNA) where: Base-Base interactions energy: -168.428 where: short stacking energy: -98.290 Base-Backbone interact. energy: -0.003 local terms energy: -76.160929 where: bonds (distance) C4'-P energy: -12.829 bonds (distance) P-C4' energy: -16.951 flat angles C4'-P-C4' energy: -17.718 flat angles P-C4'-P energy: -6.661 tors. eta vs tors. theta energy: -22.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -211.330238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.330238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.330238 (E_RNA) where: Base-Base interactions energy: -146.021 where: short stacking energy: -64.325 Base-Backbone interact. energy: -0.430 local terms energy: -64.879061 where: bonds (distance) C4'-P energy: -13.302 bonds (distance) P-C4' energy: -15.592 flat angles C4'-P-C4' energy: -13.925 flat angles P-C4'-P energy: -9.072 tors. eta vs tors. theta energy: -12.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -219.046712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.046712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.046712 (E_RNA) where: Base-Base interactions energy: -148.611 where: short stacking energy: -75.741 Base-Backbone interact. energy: -0.029 local terms energy: -70.406976 where: bonds (distance) C4'-P energy: -13.264 bonds (distance) P-C4' energy: -17.499 flat angles C4'-P-C4' energy: -17.885 flat angles P-C4'-P energy: -5.200 tors. eta vs tors. theta energy: -16.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -214.738997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.738997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.738997 (E_RNA) where: Base-Base interactions energy: -146.290 where: short stacking energy: -68.901 Base-Backbone interact. energy: -0.482 local terms energy: -67.966526 where: bonds (distance) C4'-P energy: -12.852 bonds (distance) P-C4' energy: -10.970 flat angles C4'-P-C4' energy: -15.028 flat angles P-C4'-P energy: -9.967 tors. eta vs tors. theta energy: -19.149 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: 8 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -198.041166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.041166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.041166 (E_RNA) where: Base-Base interactions energy: -125.352 where: short stacking energy: -60.309 Base-Backbone interact. energy: -0.559 local terms energy: -72.130597 where: bonds (distance) C4'-P energy: -15.809 bonds (distance) P-C4' energy: -17.285 flat angles C4'-P-C4' energy: -9.839 flat angles P-C4'-P energy: -12.998 tors. eta vs tors. theta energy: -16.200 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: 478 Temperature: 1.350000 Total energy: -209.924304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.924304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.924304 (E_RNA) where: Base-Base interactions energy: -145.850 where: short stacking energy: -68.837 Base-Backbone interact. energy: -0.001 local terms energy: -64.072973 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -13.385 flat angles C4'-P-C4' energy: -18.631 flat angles P-C4'-P energy: -5.925 tors. eta vs tors. theta energy: -18.758 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 9 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -296.711758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.711758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.711758 (E_RNA) where: Base-Base interactions energy: -212.546 where: short stacking energy: -94.039 Base-Backbone interact. energy: -0.563 local terms energy: -83.602915 where: bonds (distance) C4'-P energy: -18.442 bonds (distance) P-C4' energy: -16.075 flat angles C4'-P-C4' energy: -19.472 flat angles P-C4'-P energy: -6.597 tors. eta vs tors. theta energy: -23.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -284.268694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.268694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.268694 (E_RNA) where: Base-Base interactions energy: -201.301 where: short stacking energy: -87.677 Base-Backbone interact. energy: -2.197 local terms energy: -80.771147 where: bonds (distance) C4'-P energy: -16.981 bonds (distance) P-C4' energy: -17.406 flat angles C4'-P-C4' energy: -15.986 flat angles P-C4'-P energy: -6.328 tors. eta vs tors. theta energy: -24.071 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: 1 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -272.998574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.998574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.998574 (E_RNA) where: Base-Base interactions energy: -194.041 where: short stacking energy: -87.512 Base-Backbone interact. energy: -0.386 local terms energy: -78.571536 where: bonds (distance) C4'-P energy: -14.289 bonds (distance) P-C4' energy: -16.383 flat angles C4'-P-C4' energy: -16.776 flat angles P-C4'-P energy: -11.285 tors. eta vs tors. theta energy: -19.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -263.692887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.692887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.692887 (E_RNA) where: Base-Base interactions energy: -187.170 where: short stacking energy: -82.020 Base-Backbone interact. energy: -1.034 local terms energy: -75.488214 where: bonds (distance) C4'-P energy: -14.447 bonds (distance) P-C4' energy: -14.200 flat angles C4'-P-C4' energy: -16.110 flat angles P-C4'-P energy: -11.535 tors. eta vs tors. theta energy: -19.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -249.695176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.695176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.695176 (E_RNA) where: Base-Base interactions energy: -165.605 where: short stacking energy: -79.730 Base-Backbone interact. energy: -0.300 local terms energy: -83.790391 where: bonds (distance) C4'-P energy: -18.177 bonds (distance) P-C4' energy: -17.801 flat angles C4'-P-C4' energy: -16.358 flat angles P-C4'-P energy: -10.619 tors. eta vs tors. theta energy: -20.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -243.485798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.485798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.485798 (E_RNA) where: Base-Base interactions energy: -173.047 where: short stacking energy: -86.884 Base-Backbone interact. energy: -0.070 local terms energy: -70.368819 where: bonds (distance) C4'-P energy: -12.179 bonds (distance) P-C4' energy: -15.782 flat angles C4'-P-C4' energy: -16.838 flat angles P-C4'-P energy: -4.640 tors. eta vs tors. theta energy: -20.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -219.295214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.295214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.295214 (E_RNA) where: Base-Base interactions energy: -153.090 where: short stacking energy: -76.630 Base-Backbone interact. energy: -0.031 local terms energy: -66.174365 where: bonds (distance) C4'-P energy: -10.253 bonds (distance) P-C4' energy: -14.679 flat angles C4'-P-C4' energy: -15.074 flat angles P-C4'-P energy: -7.979 tors. eta vs tors. theta energy: -18.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -206.769872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.769872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.769872 (E_RNA) where: Base-Base interactions energy: -144.143 where: short stacking energy: -66.317 Base-Backbone interact. energy: -0.484 local terms energy: -62.142913 where: bonds (distance) C4'-P energy: -11.257 bonds (distance) P-C4' energy: -11.265 flat angles C4'-P-C4' energy: -15.079 flat angles P-C4'-P energy: -10.295 tors. eta vs tors. theta energy: -14.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -201.124137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.124137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.124137 (E_RNA) where: Base-Base interactions energy: -131.408 where: short stacking energy: -55.132 Base-Backbone interact. energy: 0.875 local terms energy: -70.590627 where: bonds (distance) C4'-P energy: -13.937 bonds (distance) P-C4' energy: -19.818 flat angles C4'-P-C4' energy: -15.884 flat angles P-C4'-P energy: -7.237 tors. eta vs tors. theta energy: -13.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -194.494048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.494048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.494048 (E_RNA) where: Base-Base interactions energy: -130.217 where: short stacking energy: -55.117 Base-Backbone interact. energy: 1.718 local terms energy: -65.994997 where: bonds (distance) C4'-P energy: -13.992 bonds (distance) P-C4' energy: -14.141 flat angles C4'-P-C4' energy: -14.733 flat angles P-C4'-P energy: -6.498 tors. eta vs tors. theta energy: -16.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE