SimRNA (c) 2009-2024 Genesilico, ver. 3.33 Replica Exchange Monte Carlo Method is SWITCHED ON 10 replicas were ordered .reading parameteres setting random seed = 1 initiating replica nr: 1 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-BYH-b1277d89/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-BYH-b1277d89/inputs/seq.fa: 1 curr_seq: _CAACUAAACG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAACUAAACG RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 10 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 10.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 0.900 successfully initiated initiating replica nr: 2 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-BYH-b1277d89/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-BYH-b1277d89/inputs/seq.fa: 1 curr_seq: _CAACUAAACG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAACUAAACG RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 10 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 10.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 0.950 successfully initiated initiating replica nr: 3 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-BYH-b1277d89/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-BYH-b1277d89/inputs/seq.fa: 1 curr_seq: _CAACUAAACG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAACUAAACG RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 10 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 10.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.000 successfully initiated initiating replica nr: 4 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-BYH-b1277d89/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-BYH-b1277d89/inputs/seq.fa: 1 curr_seq: _CAACUAAACG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAACUAAACG RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 10 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 10.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.050 successfully initiated initiating replica nr: 5 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-BYH-b1277d89/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-BYH-b1277d89/inputs/seq.fa: 1 curr_seq: _CAACUAAACG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAACUAAACG RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 10 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 10.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.100 successfully initiated initiating replica nr: 6 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-BYH-b1277d89/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-BYH-b1277d89/inputs/seq.fa: 1 curr_seq: _CAACUAAACG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAACUAAACG RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 10 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 10.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.150 successfully initiated initiating replica nr: 7 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-BYH-b1277d89/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-BYH-b1277d89/inputs/seq.fa: 1 curr_seq: _CAACUAAACG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAACUAAACG RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 10 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 10.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.200 successfully initiated initiating replica nr: 8 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-BYH-b1277d89/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-BYH-b1277d89/inputs/seq.fa: 1 curr_seq: _CAACUAAACG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAACUAAACG RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 10 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 10.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.250 successfully initiated initiating replica nr: 9 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-BYH-b1277d89/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-BYH-b1277d89/inputs/seq.fa: 1 curr_seq: _CAACUAAACG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAACUAAACG RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 10 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 10.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.300 successfully initiated initiating replica nr: 10 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-BYH-b1277d89/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-BYH-b1277d89/inputs/seq.fa: 1 curr_seq: _CAACUAAACG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAACUAAACG RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 10 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 10.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.350 successfully initiated .calculating program compiled for parallel execution of replicas in Replica Exchange MC method program can utilize maximum as many CPU cores as replicas, in this case: 10 ================================== temp. level: 1, replica: 1 ===================================== Write number: 1 Temperature: 0.900000 Total energy: -34.916876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -34.916876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -34.916876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -34.916876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -34.916876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -34.916876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -34.916876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -34.916876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -34.916876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -34.916876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -58.254321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.254321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.254321 (E_RNA) where: Base-Base interactions energy: -24.552 where: short stacking energy: -17.281 Base-Backbone interact. energy: -0.100 local terms energy: -33.602962 where: bonds (distance) C4'-P energy: -5.084 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -7.368 flat angles P-C4'-P energy: -7.090 tors. eta vs tors. theta energy: -5.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -66.706066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.706066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.706066 (E_RNA) where: Base-Base interactions energy: -30.669 where: short stacking energy: -30.669 Base-Backbone interact. energy: -0.000 local terms energy: -36.036922 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -7.489 flat angles C4'-P-C4' energy: -6.872 flat angles P-C4'-P energy: -6.799 tors. eta vs tors. theta energy: -7.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -58.299789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.299789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.299789 (E_RNA) where: Base-Base interactions energy: -25.854 where: short stacking energy: -23.246 Base-Backbone interact. energy: -0.038 local terms energy: -32.407846 where: bonds (distance) C4'-P energy: -6.550 bonds (distance) P-C4' energy: -8.815 flat angles C4'-P-C4' energy: -6.853 flat angles P-C4'-P energy: -5.207 tors. eta vs tors. theta energy: -4.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -52.067396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.067396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.067396 (E_RNA) where: Base-Base interactions energy: -20.131 where: short stacking energy: -19.124 Base-Backbone interact. energy: -0.041 local terms energy: -31.895570 where: bonds (distance) C4'-P energy: -8.283 bonds (distance) P-C4' energy: -8.119 flat angles C4'-P-C4' energy: -6.461 flat angles P-C4'-P energy: -5.777 tors. eta vs tors. theta energy: -3.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -56.750675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.750675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.750675 (E_RNA) where: Base-Base interactions energy: -29.181 where: short stacking energy: -20.790 Base-Backbone interact. energy: -0.021 local terms energy: -27.549002 where: bonds (distance) C4'-P energy: -5.469 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -7.286 flat angles P-C4'-P energy: -6.747 tors. eta vs tors. theta energy: -1.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -58.213010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.213010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.213010 (E_RNA) where: Base-Base interactions energy: -29.739 where: short stacking energy: -26.895 Base-Backbone interact. energy: 0.069 local terms energy: -28.543442 where: bonds (distance) C4'-P energy: -4.144 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.814 flat angles P-C4'-P energy: -2.963 tors. eta vs tors. theta energy: -7.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -49.993961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.993961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.993961 (E_RNA) where: Base-Base interactions energy: -18.934 where: short stacking energy: -18.934 Base-Backbone interact. energy: -0.001 local terms energy: -31.059290 where: bonds (distance) C4'-P energy: -7.213 bonds (distance) P-C4' energy: -7.234 flat angles C4'-P-C4' energy: -7.300 flat angles P-C4'-P energy: -6.092 tors. eta vs tors. theta energy: -3.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -49.469389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.469389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.469389 (E_RNA) where: Base-Base interactions energy: -22.950 where: short stacking energy: -22.950 Base-Backbone interact. energy: -0.000 local terms energy: -26.518817 where: bonds (distance) C4'-P energy: -6.793 bonds (distance) P-C4' energy: -6.995 flat angles C4'-P-C4' energy: -5.977 flat angles P-C4'-P energy: -2.960 tors. eta vs tors. theta energy: -3.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -42.361833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.361833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.361833 (E_RNA) where: Base-Base interactions energy: -17.485 where: short stacking energy: -9.893 Base-Backbone interact. energy: -0.139 local terms energy: -24.738276 where: bonds (distance) C4'-P energy: -5.705 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -6.484 flat angles P-C4'-P energy: -3.928 tors. eta vs tors. theta energy: -0.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -39.778212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.778212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.778212 (E_RNA) where: Base-Base interactions energy: -11.323 where: short stacking energy: -11.723 Base-Backbone interact. energy: -0.003 local terms energy: -28.452994 where: bonds (distance) C4'-P energy: -6.545 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -8.831 flat angles P-C4'-P energy: -4.120 tors. eta vs tors. theta energy: -1.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -63.799230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.799230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.799230 (E_RNA) where: Base-Base interactions energy: -27.936 where: short stacking energy: -27.936 Base-Backbone interact. energy: -0.000 local terms energy: -35.862925 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.894 flat angles P-C4'-P energy: -5.336 tors. eta vs tors. theta energy: -6.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -58.339683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.339683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.339683 (E_RNA) where: Base-Base interactions energy: -22.630 where: short stacking energy: -22.630 Base-Backbone interact. energy: -0.006 local terms energy: -35.703290 where: bonds (distance) C4'-P energy: -4.396 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -7.611 flat angles P-C4'-P energy: -6.662 tors. eta vs tors. theta energy: -7.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -52.814887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.814887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.814887 (E_RNA) where: Base-Base interactions energy: -28.134 where: short stacking energy: -19.439 Base-Backbone interact. energy: -0.126 local terms energy: -24.554672 where: bonds (distance) C4'-P energy: -5.175 bonds (distance) P-C4' energy: -4.181 flat angles C4'-P-C4' energy: -7.819 flat angles P-C4'-P energy: -2.586 tors. eta vs tors. theta energy: -4.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -62.293980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.293980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.293980 (E_RNA) where: Base-Base interactions energy: -34.720 where: short stacking energy: -21.789 Base-Backbone interact. energy: -0.147 local terms energy: -27.426696 where: bonds (distance) C4'-P energy: -7.253 bonds (distance) P-C4' energy: -7.481 flat angles C4'-P-C4' energy: -4.513 flat angles P-C4'-P energy: -4.152 tors. eta vs tors. theta energy: -4.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -53.578094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.578094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.578094 (E_RNA) where: Base-Base interactions energy: -23.144 where: short stacking energy: -16.544 Base-Backbone interact. energy: -0.018 local terms energy: -30.416596 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -5.698 flat angles C4'-P-C4' energy: -6.397 flat angles P-C4'-P energy: -6.475 tors. eta vs tors. theta energy: -4.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -56.276096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.276096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.276096 (E_RNA) where: Base-Base interactions energy: -26.563 where: short stacking energy: -20.554 Base-Backbone interact. energy: -0.001 local terms energy: -29.711829 where: bonds (distance) C4'-P energy: -6.511 bonds (distance) P-C4' energy: -6.762 flat angles C4'-P-C4' energy: -8.280 flat angles P-C4'-P energy: -6.017 tors. eta vs tors. theta energy: -2.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -40.381938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.381938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.381938 (E_RNA) where: Base-Base interactions energy: -15.277 where: short stacking energy: -11.054 Base-Backbone interact. energy: -0.203 local terms energy: -24.901598 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -5.318 flat angles C4'-P-C4' energy: -4.671 flat angles P-C4'-P energy: -4.093 tors. eta vs tors. theta energy: -2.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -48.452544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.452544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.452544 (E_RNA) where: Base-Base interactions energy: -17.881 where: short stacking energy: -17.881 Base-Backbone interact. energy: -0.000 local terms energy: -30.571987 where: bonds (distance) C4'-P energy: -6.016 bonds (distance) P-C4' energy: -9.035 flat angles C4'-P-C4' energy: -7.130 flat angles P-C4'-P energy: -5.529 tors. eta vs tors. theta energy: -2.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -50.095754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.095754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.095754 (E_RNA) where: Base-Base interactions energy: -28.068 where: short stacking energy: -19.451 Base-Backbone interact. energy: -0.019 local terms energy: -22.008950 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -5.643 flat angles P-C4'-P energy: 3.737 tors. eta vs tors. theta energy: -4.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -40.259528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.259528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.259528 (E_RNA) where: Base-Base interactions energy: -18.526 where: short stacking energy: -9.070 Base-Backbone interact. energy: -0.149 local terms energy: -21.584918 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -1.956 flat angles P-C4'-P energy: -2.973 tors. eta vs tors. theta energy: 0.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -58.401916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.401916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.401916 (E_RNA) where: Base-Base interactions energy: -26.752 where: short stacking energy: -21.277 Base-Backbone interact. energy: -0.006 local terms energy: -31.643910 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -4.457 flat angles P-C4'-P energy: -5.724 tors. eta vs tors. theta energy: -4.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -53.789179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.789179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.789179 (E_RNA) where: Base-Base interactions energy: -22.393 where: short stacking energy: -22.393 Base-Backbone interact. energy: -0.006 local terms energy: -31.389758 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -7.877 flat angles C4'-P-C4' energy: -7.512 flat angles P-C4'-P energy: -4.424 tors. eta vs tors. theta energy: -5.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -62.913922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.913922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.913922 (E_RNA) where: Base-Base interactions energy: -29.042 where: short stacking energy: -29.042 Base-Backbone interact. energy: -0.000 local terms energy: -33.871597 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -5.996 flat angles C4'-P-C4' energy: -8.261 flat angles P-C4'-P energy: -2.024 tors. eta vs tors. theta energy: -9.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -64.303496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.303496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.303496 (E_RNA) where: Base-Base interactions energy: -32.435 where: short stacking energy: -19.738 Base-Backbone interact. energy: -0.224 local terms energy: -31.644716 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -6.493 flat angles P-C4'-P energy: -4.257 tors. eta vs tors. theta energy: -4.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -54.054936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.054936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.054936 (E_RNA) where: Base-Base interactions energy: -24.405 where: short stacking energy: -24.405 Base-Backbone interact. energy: -0.001 local terms energy: -29.648600 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.790 flat angles C4'-P-C4' energy: -6.279 flat angles P-C4'-P energy: -5.425 tors. eta vs tors. theta energy: -5.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -51.897960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.897960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.897960 (E_RNA) where: Base-Base interactions energy: -19.828 where: short stacking energy: -19.828 Base-Backbone interact. energy: -0.008 local terms energy: -32.062210 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -6.884 flat angles P-C4'-P energy: -3.942 tors. eta vs tors. theta energy: -5.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -48.548873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.548873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.548873 (E_RNA) where: Base-Base interactions energy: -17.596 where: short stacking energy: -16.690 Base-Backbone interact. energy: -0.001 local terms energy: -30.952136 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.873 flat angles P-C4'-P energy: -4.377 tors. eta vs tors. theta energy: -1.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -52.294135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.294135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.294135 (E_RNA) where: Base-Base interactions energy: -22.499 where: short stacking energy: -22.499 Base-Backbone interact. energy: -0.021 local terms energy: -29.774339 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -7.865 flat angles C4'-P-C4' energy: -7.091 flat angles P-C4'-P energy: -0.858 tors. eta vs tors. theta energy: -6.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -41.348020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.348020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.348020 (E_RNA) where: Base-Base interactions energy: -16.315 where: short stacking energy: -16.315 Base-Backbone interact. energy: -0.014 local terms energy: -25.018912 where: bonds (distance) C4'-P energy: -6.620 bonds (distance) P-C4' energy: -6.147 flat angles C4'-P-C4' energy: -5.957 flat angles P-C4'-P energy: -5.886 tors. eta vs tors. theta energy: -0.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -42.582907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.582907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.582907 (E_RNA) where: Base-Base interactions energy: -21.213 where: short stacking energy: -16.597 Base-Backbone interact. energy: 0.247 local terms energy: -21.616862 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.896 flat angles C4'-P-C4' energy: -4.846 flat angles P-C4'-P energy: -4.898 tors. eta vs tors. theta energy: 0.214 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: 2 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -60.750605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.750605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.750605 (E_RNA) where: Base-Base interactions energy: -28.319 where: short stacking energy: -28.319 Base-Backbone interact. energy: -0.000 local terms energy: -32.431831 where: bonds (distance) C4'-P energy: -6.599 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -7.315 flat angles P-C4'-P energy: -2.983 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: 2, replica: 4 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -65.248513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.248513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.248513 (E_RNA) where: Base-Base interactions energy: -34.315 where: short stacking energy: -28.581 Base-Backbone interact. energy: -0.000 local terms energy: -30.932629 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -4.178 flat angles C4'-P-C4' energy: -7.467 flat angles P-C4'-P energy: -4.689 tors. eta vs tors. theta energy: -6.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -58.258076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.258076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.258076 (E_RNA) where: Base-Base interactions energy: -24.862 where: short stacking energy: -22.423 Base-Backbone interact. energy: -0.001 local terms energy: -33.395281 where: bonds (distance) C4'-P energy: -7.092 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -6.567 flat angles P-C4'-P energy: -5.974 tors. eta vs tors. theta energy: -4.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -52.027057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.027057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.027057 (E_RNA) where: Base-Base interactions energy: -22.885 where: short stacking energy: -21.113 Base-Backbone interact. energy: -0.078 local terms energy: -29.064706 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -7.219 flat angles P-C4'-P energy: -2.728 tors. eta vs tors. theta energy: -3.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -56.433563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.433563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.433563 (E_RNA) where: Base-Base interactions energy: -26.138 where: short stacking energy: -13.321 Base-Backbone interact. energy: -1.057 local terms energy: -29.238439 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -9.193 flat angles P-C4'-P energy: -3.458 tors. eta vs tors. theta energy: -2.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -47.806617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.806617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.806617 (E_RNA) where: Base-Base interactions energy: -17.194 where: short stacking energy: -17.194 Base-Backbone interact. energy: -0.000 local terms energy: -30.612733 where: bonds (distance) C4'-P energy: -6.387 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -4.984 flat angles P-C4'-P energy: -6.722 tors. eta vs tors. theta energy: -5.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -49.460153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.460153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.460153 (E_RNA) where: Base-Base interactions energy: -19.373 where: short stacking energy: -19.373 Base-Backbone interact. energy: -0.003 local terms energy: -30.084722 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -6.693 flat angles C4'-P-C4' energy: -8.178 flat angles P-C4'-P energy: -4.642 tors. eta vs tors. theta energy: -3.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -49.097562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.097562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.097562 (E_RNA) where: Base-Base interactions energy: -19.726 where: short stacking energy: -19.726 Base-Backbone interact. energy: -0.005 local terms energy: -29.366670 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -5.556 flat angles C4'-P-C4' energy: -4.317 flat angles P-C4'-P energy: -6.577 tors. eta vs tors. theta energy: -3.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -41.083265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.083265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.083265 (E_RNA) where: Base-Base interactions energy: -16.222 where: short stacking energy: -15.775 Base-Backbone interact. energy: -0.168 local terms energy: -24.692910 where: bonds (distance) C4'-P energy: -6.297 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -6.323 flat angles P-C4'-P energy: -2.602 tors. eta vs tors. theta energy: -1.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -47.540958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.540958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.540958 (E_RNA) where: Base-Base interactions energy: -18.907 where: short stacking energy: -18.269 Base-Backbone interact. energy: 0.145 local terms energy: -28.779400 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -8.128 flat angles P-C4'-P energy: -4.423 tors. eta vs tors. theta energy: -2.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -56.593821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.593821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.593821 (E_RNA) where: Base-Base interactions energy: -21.513 where: short stacking energy: -21.513 Base-Backbone interact. energy: -1.090 local terms energy: -33.991381 where: bonds (distance) C4'-P energy: -7.017 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -8.435 flat angles P-C4'-P energy: -3.282 tors. eta vs tors. theta energy: -6.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -62.446288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.446288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.446288 (E_RNA) where: Base-Base interactions energy: -23.858 where: short stacking energy: -23.858 Base-Backbone interact. energy: -0.004 local terms energy: -38.584629 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.882 flat angles P-C4'-P energy: -7.553 tors. eta vs tors. theta energy: -6.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -57.984414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.984414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.984414 (E_RNA) where: Base-Base interactions energy: -21.614 where: short stacking energy: -21.614 Base-Backbone interact. energy: -0.001 local terms energy: -36.369356 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.833 flat angles C4'-P-C4' energy: -9.111 flat angles P-C4'-P energy: -5.578 tors. eta vs tors. theta energy: -5.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -55.544988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.544988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.544988 (E_RNA) where: Base-Base interactions energy: -27.219 where: short stacking energy: -23.320 Base-Backbone interact. energy: -0.094 local terms energy: -28.232436 where: bonds (distance) C4'-P energy: -6.345 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -4.805 flat angles P-C4'-P energy: -3.507 tors. eta vs tors. theta energy: -5.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -56.860273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.860273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.860273 (E_RNA) where: Base-Base interactions energy: -28.978 where: short stacking energy: -21.725 Base-Backbone interact. energy: -0.001 local terms energy: -27.882066 where: bonds (distance) C4'-P energy: -2.765 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.108 flat angles P-C4'-P energy: -7.078 tors. eta vs tors. theta energy: -3.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -50.087057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.087057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.087057 (E_RNA) where: Base-Base interactions energy: -17.132 where: short stacking energy: -17.132 Base-Backbone interact. energy: -0.067 local terms energy: -32.888039 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -8.199 flat angles C4'-P-C4' energy: -6.811 flat angles P-C4'-P energy: -6.027 tors. eta vs tors. theta energy: -4.939 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: 6 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -52.330615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.330615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.330615 (E_RNA) where: Base-Base interactions energy: -20.069 where: short stacking energy: -12.218 Base-Backbone interact. energy: -0.032 local terms energy: -32.229789 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -3.715 flat angles C4'-P-C4' energy: -8.056 flat angles P-C4'-P energy: -7.864 tors. eta vs tors. theta energy: -4.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -44.390790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.390790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.390790 (E_RNA) where: Base-Base interactions energy: -16.439 where: short stacking energy: -16.439 Base-Backbone interact. energy: -0.008 local terms energy: -27.944336 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -6.942 flat angles C4'-P-C4' energy: -4.687 flat angles P-C4'-P energy: -4.282 tors. eta vs tors. theta energy: -4.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -52.789175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.789175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.789175 (E_RNA) where: Base-Base interactions energy: -35.440 where: short stacking energy: -11.179 Base-Backbone interact. energy: -0.113 local terms energy: -17.236330 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -4.617 flat angles P-C4'-P energy: -0.472 tors. eta vs tors. theta energy: -1.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -40.765983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.765983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.765983 (E_RNA) where: Base-Base interactions energy: -12.297 where: short stacking energy: -9.696 Base-Backbone interact. energy: -0.002 local terms energy: -28.466239 where: bonds (distance) C4'-P energy: -6.086 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -7.156 flat angles P-C4'-P energy: -4.846 tors. eta vs tors. theta energy: -2.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -52.471363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.471363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.471363 (E_RNA) where: Base-Base interactions energy: -18.633 where: short stacking energy: -18.633 Base-Backbone interact. energy: -0.001 local terms energy: -33.837579 where: bonds (distance) C4'-P energy: -6.997 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.824 flat angles P-C4'-P energy: -5.260 tors. eta vs tors. theta energy: -4.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -67.014749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.014749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.014749 (E_RNA) where: Base-Base interactions energy: -27.209 where: short stacking energy: -27.209 Base-Backbone interact. energy: -0.000 local terms energy: -39.805706 where: bonds (distance) C4'-P energy: -8.644 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -7.513 flat angles P-C4'-P energy: -7.111 tors. eta vs tors. theta energy: -9.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -58.981264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.981264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.981264 (E_RNA) where: Base-Base interactions energy: -28.670 where: short stacking energy: -21.367 Base-Backbone interact. energy: -0.000 local terms energy: -30.310699 where: bonds (distance) C4'-P energy: -4.728 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -7.072 flat angles P-C4'-P energy: -3.382 tors. eta vs tors. theta energy: -5.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -58.422817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.422817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.422817 (E_RNA) where: Base-Base interactions energy: -24.570 where: short stacking energy: -24.570 Base-Backbone interact. energy: -0.054 local terms energy: -33.798601 where: bonds (distance) C4'-P energy: -7.273 bonds (distance) P-C4' energy: -7.907 flat angles C4'-P-C4' energy: -7.283 flat angles P-C4'-P energy: -4.644 tors. eta vs tors. theta energy: -6.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -49.308874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.308874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.308874 (E_RNA) where: Base-Base interactions energy: -17.487 where: short stacking energy: -17.487 Base-Backbone interact. energy: -0.021 local terms energy: -31.800261 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -7.320 flat angles P-C4'-P energy: -3.818 tors. eta vs tors. theta energy: -3.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -46.655909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.655909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.655909 (E_RNA) where: Base-Base interactions energy: -15.767 where: short stacking energy: -15.767 Base-Backbone interact. energy: 1.496 local terms energy: -32.384443 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -7.270 flat angles C4'-P-C4' energy: -7.672 flat angles P-C4'-P energy: -4.290 tors. eta vs tors. theta energy: -5.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -47.538722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.538722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.538722 (E_RNA) where: Base-Base interactions energy: -21.081 where: short stacking energy: -21.081 Base-Backbone interact. energy: -0.028 local terms energy: -26.429738 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -7.764 flat angles P-C4'-P energy: -4.060 tors. eta vs tors. theta energy: -0.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -42.955811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.955811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.955811 (E_RNA) where: Base-Base interactions energy: -17.934 where: short stacking energy: -17.934 Base-Backbone interact. energy: -0.027 local terms energy: -24.994990 where: bonds (distance) C4'-P energy: 0.216 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.850 flat angles P-C4'-P energy: -4.722 tors. eta vs tors. theta energy: -2.290 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: 7 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -46.360697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.360697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.360697 (E_RNA) where: Base-Base interactions energy: -22.327 where: short stacking energy: -17.411 Base-Backbone interact. energy: -0.018 local terms energy: -24.015782 where: bonds (distance) C4'-P energy: 0.010 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.366 flat angles P-C4'-P energy: -5.974 tors. eta vs tors. theta energy: -2.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -45.152047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.152047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.152047 (E_RNA) where: Base-Base interactions energy: -18.998 where: short stacking energy: -19.198 Base-Backbone interact. energy: -0.048 local terms energy: -26.106011 where: bonds (distance) C4'-P energy: -4.765 bonds (distance) P-C4' energy: -5.934 flat angles C4'-P-C4' energy: -8.479 flat angles P-C4'-P energy: -4.041 tors. eta vs tors. theta energy: -2.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -57.075825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.075825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.075825 (E_RNA) where: Base-Base interactions energy: -24.632 where: short stacking energy: -18.648 Base-Backbone interact. energy: -0.014 local terms energy: -32.429933 where: bonds (distance) C4'-P energy: -7.092 bonds (distance) P-C4' energy: -6.892 flat angles C4'-P-C4' energy: -7.788 flat angles P-C4'-P energy: -7.481 tors. eta vs tors. theta energy: -3.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -58.559002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.559002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.559002 (E_RNA) where: Base-Base interactions energy: -23.904 where: short stacking energy: -23.904 Base-Backbone interact. energy: -0.013 local terms energy: -34.641965 where: bonds (distance) C4'-P energy: -6.504 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -8.078 flat angles P-C4'-P energy: -5.148 tors. eta vs tors. theta energy: -8.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -58.048637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.048637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.048637 (E_RNA) where: Base-Base interactions energy: -24.380 where: short stacking energy: -24.380 Base-Backbone interact. energy: -0.001 local terms energy: -33.667588 where: bonds (distance) C4'-P energy: -6.904 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -8.866 flat angles P-C4'-P energy: -5.392 tors. eta vs tors. theta energy: -4.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -68.904539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.904539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.904539 (E_RNA) where: Base-Base interactions energy: -33.448 where: short stacking energy: -27.019 Base-Backbone interact. energy: -0.000 local terms energy: -35.456219 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -5.460 flat angles P-C4'-P energy: -7.240 tors. eta vs tors. theta energy: -6.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -54.240595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.240595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.240595 (E_RNA) where: Base-Base interactions energy: -20.454 where: short stacking energy: -20.454 Base-Backbone interact. energy: -0.002 local terms energy: -33.784887 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -6.042 flat angles P-C4'-P energy: -6.416 tors. eta vs tors. theta energy: -6.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -51.645213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.645213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.645213 (E_RNA) where: Base-Base interactions energy: -23.640 where: short stacking energy: -23.640 Base-Backbone interact. energy: -0.000 local terms energy: -28.004669 where: bonds (distance) C4'-P energy: -2.394 bonds (distance) P-C4' energy: -7.214 flat angles C4'-P-C4' energy: -8.210 flat angles P-C4'-P energy: -4.124 tors. eta vs tors. theta energy: -6.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -46.773096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.773096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.773096 (E_RNA) where: Base-Base interactions energy: -20.718 where: short stacking energy: -18.477 Base-Backbone interact. energy: -0.096 local terms energy: -25.959132 where: bonds (distance) C4'-P energy: -7.307 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.027 flat angles P-C4'-P energy: -4.851 tors. eta vs tors. theta energy: -3.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -41.096935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.096935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.096935 (E_RNA) where: Base-Base interactions energy: -15.581 where: short stacking energy: -11.815 Base-Backbone interact. energy: 0.239 local terms energy: -25.754988 where: bonds (distance) C4'-P energy: -7.687 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.421 flat angles P-C4'-P energy: -0.630 tors. eta vs tors. theta energy: -1.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -48.775291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.775291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.775291 (E_RNA) where: Base-Base interactions energy: -19.195 where: short stacking energy: -19.195 Base-Backbone interact. energy: -0.045 local terms energy: -29.535079 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -7.734 flat angles C4'-P-C4' energy: -8.427 flat angles P-C4'-P energy: -4.651 tors. eta vs tors. theta energy: -0.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -40.925996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.925996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.925996 (E_RNA) where: Base-Base interactions energy: -17.487 where: short stacking energy: -16.930 Base-Backbone interact. energy: -0.098 local terms energy: -23.340704 where: bonds (distance) C4'-P energy: -4.777 bonds (distance) P-C4' energy: -5.539 flat angles C4'-P-C4' energy: -6.330 flat angles P-C4'-P energy: -5.841 tors. eta vs tors. theta energy: -0.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -63.965753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.965753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.965753 (E_RNA) where: Base-Base interactions energy: -28.511 where: short stacking energy: -28.511 Base-Backbone interact. energy: -0.001 local terms energy: -35.453860 where: bonds (distance) C4'-P energy: -5.485 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.284 flat angles P-C4'-P energy: -5.345 tors. eta vs tors. theta energy: -7.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -58.749080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.749080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.749080 (E_RNA) where: Base-Base interactions energy: -23.525 where: short stacking energy: -18.612 Base-Backbone interact. energy: -0.002 local terms energy: -35.221676 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -8.046 flat angles P-C4'-P energy: -4.348 tors. eta vs tors. theta energy: -7.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -60.751804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.751804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.751804 (E_RNA) where: Base-Base interactions energy: -26.608 where: short stacking energy: -15.713 Base-Backbone interact. energy: -0.099 local terms energy: -34.044291 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -8.256 flat angles C4'-P-C4' energy: -6.960 flat angles P-C4'-P energy: -6.307 tors. eta vs tors. theta energy: -5.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -54.246480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.246480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.246480 (E_RNA) where: Base-Base interactions energy: -19.970 where: short stacking energy: -18.961 Base-Backbone interact. energy: -0.063 local terms energy: -34.213269 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -9.563 flat angles C4'-P-C4' energy: -8.903 flat angles P-C4'-P energy: -5.642 tors. eta vs tors. theta energy: -3.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -58.407700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.407700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.407700 (E_RNA) where: Base-Base interactions energy: -25.451 where: short stacking energy: -25.451 Base-Backbone interact. energy: -0.001 local terms energy: -32.955933 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -7.288 flat angles C4'-P-C4' energy: -6.782 flat angles P-C4'-P energy: -5.914 tors. eta vs tors. theta energy: -5.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -51.068974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.068974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.068974 (E_RNA) where: Base-Base interactions energy: -21.235 where: short stacking energy: -20.557 Base-Backbone interact. energy: -0.093 local terms energy: -29.741108 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -5.598 flat angles P-C4'-P energy: -4.277 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: 7, replica: 9 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -45.266534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.266534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.266534 (E_RNA) where: Base-Base interactions energy: -14.378 where: short stacking energy: -13.661 Base-Backbone interact. energy: -0.096 local terms energy: -30.792195 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -5.758 flat angles C4'-P-C4' energy: -6.483 flat angles P-C4'-P energy: -7.229 tors. eta vs tors. theta energy: -2.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -43.146508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.146508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.146508 (E_RNA) where: Base-Base interactions energy: -13.977 where: short stacking energy: -13.977 Base-Backbone interact. energy: -0.002 local terms energy: -29.167752 where: bonds (distance) C4'-P energy: -6.334 bonds (distance) P-C4' energy: -6.974 flat angles C4'-P-C4' energy: -6.145 flat angles P-C4'-P energy: -5.232 tors. eta vs tors. theta energy: -4.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -42.547451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.547451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.547451 (E_RNA) where: Base-Base interactions energy: -15.111 where: short stacking energy: -15.111 Base-Backbone interact. energy: -0.033 local terms energy: -27.402539 where: bonds (distance) C4'-P energy: -7.347 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -3.150 flat angles P-C4'-P energy: -3.562 tors. eta vs tors. theta energy: -4.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -43.543036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.543036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.543036 (E_RNA) where: Base-Base interactions energy: -19.457 where: short stacking energy: -15.378 Base-Backbone interact. energy: -0.102 local terms energy: -23.984032 where: bonds (distance) C4'-P energy: -7.455 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -3.817 flat angles P-C4'-P energy: -3.635 tors. eta vs tors. theta energy: -0.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -68.764543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.764543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.764543 (E_RNA) where: Base-Base interactions energy: -31.766 where: short stacking energy: -31.531 Base-Backbone interact. energy: -0.001 local terms energy: -36.997954 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -7.126 flat angles P-C4'-P energy: -6.121 tors. eta vs tors. theta energy: -6.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -65.672876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.672876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.672876 (E_RNA) where: Base-Base interactions energy: -29.846 where: short stacking energy: -29.846 Base-Backbone interact. energy: -0.000 local terms energy: -35.827042 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -7.771 flat angles P-C4'-P energy: -5.266 tors. eta vs tors. theta energy: -5.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -61.503348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.503348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.503348 (E_RNA) where: Base-Base interactions energy: -25.323 where: short stacking energy: -25.323 Base-Backbone interact. energy: -0.001 local terms energy: -36.179929 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -7.828 flat angles P-C4'-P energy: -5.079 tors. eta vs tors. theta energy: -7.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -60.609247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.609247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.609247 (E_RNA) where: Base-Base interactions energy: -25.263 where: short stacking energy: -25.263 Base-Backbone interact. energy: -0.000 local terms energy: -35.346362 where: bonds (distance) C4'-P energy: -7.552 bonds (distance) P-C4' energy: -6.942 flat angles C4'-P-C4' energy: -7.294 flat angles P-C4'-P energy: -4.156 tors. eta vs tors. theta energy: -9.403 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: 10 Temperature: 1.100000 Total energy: -45.699300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.699300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.699300 (E_RNA) where: Base-Base interactions energy: -19.766 where: short stacking energy: -19.766 Base-Backbone interact. energy: -0.053 local terms energy: -25.879627 where: bonds (distance) C4'-P energy: -5.394 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -6.459 flat angles P-C4'-P energy: -2.831 tors. eta vs tors. theta energy: -2.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -43.034612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.034612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.034612 (E_RNA) where: Base-Base interactions energy: -15.971 where: short stacking energy: -15.971 Base-Backbone interact. energy: -0.022 local terms energy: -27.041322 where: bonds (distance) C4'-P energy: -5.564 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -8.265 flat angles P-C4'-P energy: -2.524 tors. eta vs tors. theta energy: -1.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -44.063047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.063047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.063047 (E_RNA) where: Base-Base interactions energy: -18.737 where: short stacking energy: -15.962 Base-Backbone interact. energy: -0.193 local terms energy: -25.133130 where: bonds (distance) C4'-P energy: -2.662 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.847 flat angles P-C4'-P energy: -4.274 tors. eta vs tors. theta energy: -0.689 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: 8, replica: 9 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -48.472239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.472239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.472239 (E_RNA) where: Base-Base interactions energy: -20.876 where: short stacking energy: -18.809 Base-Backbone interact. energy: -0.003 local terms energy: -27.593017 where: bonds (distance) C4'-P energy: -3.576 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -7.838 flat angles P-C4'-P energy: -3.640 tors. eta vs tors. theta energy: -4.501 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: 9, replica: 7 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -46.863273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.863273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.863273 (E_RNA) where: Base-Base interactions energy: -16.623 where: short stacking energy: -16.623 Base-Backbone interact. energy: -0.122 local terms energy: -30.118090 where: bonds (distance) C4'-P energy: -6.267 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.068 flat angles P-C4'-P energy: -4.973 tors. eta vs tors. theta energy: -3.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -43.094491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.094491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.094491 (E_RNA) where: Base-Base interactions energy: -16.376 where: short stacking energy: -14.170 Base-Backbone interact. energy: -0.017 local terms energy: -26.700989 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.304 flat angles P-C4'-P energy: -1.484 tors. eta vs tors. theta energy: -1.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -66.348774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.348774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.348774 (E_RNA) where: Base-Base interactions energy: -31.637 where: short stacking energy: -27.871 Base-Backbone interact. energy: -0.001 local terms energy: -34.711709 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.573 flat angles C4'-P-C4' energy: -5.478 flat angles P-C4'-P energy: -5.898 tors. eta vs tors. theta energy: -7.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -56.665559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.665559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.665559 (E_RNA) where: Base-Base interactions energy: -20.865 where: short stacking energy: -20.865 Base-Backbone interact. energy: 0.475 local terms energy: -36.274853 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -8.563 flat angles C4'-P-C4' energy: -8.022 flat angles P-C4'-P energy: -3.996 tors. eta vs tors. theta energy: -7.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -59.031246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.031246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.031246 (E_RNA) where: Base-Base interactions energy: -26.254 where: short stacking energy: -26.254 Base-Backbone interact. energy: -0.000 local terms energy: -32.777012 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.478 flat angles P-C4'-P energy: -6.127 tors. eta vs tors. theta energy: -6.731 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: 8 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -53.526101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.526101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.526101 (E_RNA) where: Base-Base interactions energy: -21.391 where: short stacking energy: -17.815 Base-Backbone interact. energy: -0.684 local terms energy: -31.450385 where: bonds (distance) C4'-P energy: -7.724 bonds (distance) P-C4' energy: -7.070 flat angles C4'-P-C4' energy: -7.616 flat angles P-C4'-P energy: -5.453 tors. eta vs tors. theta energy: -3.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -52.030448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.030448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.030448 (E_RNA) where: Base-Base interactions energy: -20.674 where: short stacking energy: -20.674 Base-Backbone interact. energy: -0.096 local terms energy: -31.260414 where: bonds (distance) C4'-P energy: -4.168 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.280 flat angles P-C4'-P energy: -5.212 tors. eta vs tors. theta energy: -5.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -50.546255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.546255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.546255 (E_RNA) where: Base-Base interactions energy: -17.393 where: short stacking energy: -17.393 Base-Backbone interact. energy: -0.484 local terms energy: -32.669027 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.355 flat angles C4'-P-C4' energy: -7.219 flat angles P-C4'-P energy: -6.064 tors. eta vs tors. theta energy: -2.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -42.025877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.025877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.025877 (E_RNA) where: Base-Base interactions energy: -13.840 where: short stacking energy: -13.840 Base-Backbone interact. energy: -0.074 local terms energy: -28.111918 where: bonds (distance) C4'-P energy: -6.627 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -7.331 flat angles P-C4'-P energy: -6.261 tors. eta vs tors. theta energy: 0.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -43.933893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.933893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.933893 (E_RNA) where: Base-Base interactions energy: -10.530 where: short stacking energy: -9.841 Base-Backbone interact. energy: -0.018 local terms energy: -33.385714 where: bonds (distance) C4'-P energy: -7.497 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.877 flat angles P-C4'-P energy: -5.635 tors. eta vs tors. theta energy: -2.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -43.015919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.015919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.015919 (E_RNA) where: Base-Base interactions energy: -17.520 where: short stacking energy: -17.520 Base-Backbone interact. energy: -0.005 local terms energy: -25.490770 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -8.112 flat angles C4'-P-C4' energy: -3.621 flat angles P-C4'-P energy: -2.516 tors. eta vs tors. theta energy: -6.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -39.251071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.251071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.251071 (E_RNA) where: Base-Base interactions energy: -12.963 where: short stacking energy: -8.996 Base-Backbone interact. energy: -0.008 local terms energy: -26.279634 where: bonds (distance) C4'-P energy: -6.935 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.939 flat angles P-C4'-P energy: -4.164 tors. eta vs tors. theta energy: 1.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -68.767796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.767796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.767796 (E_RNA) where: Base-Base interactions energy: -31.256 where: short stacking energy: -31.256 Base-Backbone interact. energy: -0.000 local terms energy: -37.512054 where: bonds (distance) C4'-P energy: -7.695 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -7.983 flat angles P-C4'-P energy: -5.877 tors. eta vs tors. theta energy: -7.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -51.937698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.937698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.937698 (E_RNA) where: Base-Base interactions energy: -18.747 where: short stacking energy: -18.747 Base-Backbone interact. energy: 0.205 local terms energy: -33.396209 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -6.872 flat angles P-C4'-P energy: -6.773 tors. eta vs tors. theta energy: -4.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -64.758673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.758673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.758673 (E_RNA) where: Base-Base interactions energy: -36.901 where: short stacking energy: -21.605 Base-Backbone interact. energy: -0.004 local terms energy: -27.853669 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -5.746 flat angles P-C4'-P energy: -3.436 tors. eta vs tors. theta energy: -2.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -56.666458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.666458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.666458 (E_RNA) where: Base-Base interactions energy: -25.839 where: short stacking energy: -21.203 Base-Backbone interact. energy: -0.011 local terms energy: -30.816170 where: bonds (distance) C4'-P energy: -8.644 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -5.365 flat angles P-C4'-P energy: -6.573 tors. eta vs tors. theta energy: -2.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -59.405156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.405156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.405156 (E_RNA) where: Base-Base interactions energy: -29.079 where: short stacking energy: -23.549 Base-Backbone interact. energy: 0.113 local terms energy: -30.439293 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -5.056 flat angles P-C4'-P energy: -1.308 tors. eta vs tors. theta energy: -7.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -57.876142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.876142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.876142 (E_RNA) where: Base-Base interactions energy: -29.453 where: short stacking energy: -22.387 Base-Backbone interact. energy: -0.021 local terms energy: -28.402051 where: bonds (distance) C4'-P energy: -6.248 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.523 flat angles P-C4'-P energy: -3.087 tors. eta vs tors. theta energy: -3.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -49.042739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.042739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.042739 (E_RNA) where: Base-Base interactions energy: -20.610 where: short stacking energy: -19.805 Base-Backbone interact. energy: -0.001 local terms energy: -28.431795 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -4.822 flat angles P-C4'-P energy: -4.681 tors. eta vs tors. theta energy: -3.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -49.177980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.177980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.177980 (E_RNA) where: Base-Base interactions energy: -19.784 where: short stacking energy: -18.200 Base-Backbone interact. energy: -0.026 local terms energy: -29.367749 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -7.993 flat angles P-C4'-P energy: -2.405 tors. eta vs tors. theta energy: -3.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -49.608903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.608903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.608903 (E_RNA) where: Base-Base interactions energy: -19.904 where: short stacking energy: -19.904 Base-Backbone interact. energy: -0.000 local terms energy: -29.705070 where: bonds (distance) C4'-P energy: -3.538 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.392 flat angles P-C4'-P energy: -4.992 tors. eta vs tors. theta energy: -5.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -40.862232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.862232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.862232 (E_RNA) where: Base-Base interactions energy: -15.144 where: short stacking energy: -11.126 Base-Backbone interact. energy: -0.651 local terms energy: -25.066636 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -8.808 flat angles C4'-P-C4' energy: -2.876 flat angles P-C4'-P energy: -5.202 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: 2 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -65.130704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.130704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.130704 (E_RNA) where: Base-Base interactions energy: -25.099 where: short stacking energy: -25.099 Base-Backbone interact. energy: -0.002 local terms energy: -40.030411 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -8.495 flat angles P-C4'-P energy: -7.561 tors. eta vs tors. theta energy: -7.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -60.210199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.210199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.210199 (E_RNA) where: Base-Base interactions energy: -27.616 where: short stacking energy: -19.142 Base-Backbone interact. energy: -0.009 local terms energy: -32.585452 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -7.439 flat angles C4'-P-C4' energy: -7.653 flat angles P-C4'-P energy: -5.958 tors. eta vs tors. theta energy: -5.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -73.801816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.801816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.801816 (E_RNA) where: Base-Base interactions energy: -32.830 where: short stacking energy: -28.775 Base-Backbone interact. energy: -2.801 local terms energy: -38.171417 where: bonds (distance) C4'-P energy: -9.153 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -7.009 flat angles P-C4'-P energy: -7.290 tors. eta vs tors. theta energy: -7.210 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: 4, replica: 10 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -54.011365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.011365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.011365 (E_RNA) where: Base-Base interactions energy: -22.808 where: short stacking energy: -22.808 Base-Backbone interact. energy: -0.000 local terms energy: -31.203696 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -5.460 flat angles C4'-P-C4' energy: -6.393 flat angles P-C4'-P energy: -5.467 tors. eta vs tors. theta energy: -6.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -51.824413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.824413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.824413 (E_RNA) where: Base-Base interactions energy: -20.532 where: short stacking energy: -19.959 Base-Backbone interact. energy: -2.104 local terms energy: -29.188603 where: bonds (distance) C4'-P energy: -5.253 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -4.869 flat angles P-C4'-P energy: -3.537 tors. eta vs tors. theta energy: -6.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -49.596419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.596419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.596419 (E_RNA) where: Base-Base interactions energy: -19.634 where: short stacking energy: -19.634 Base-Backbone interact. energy: -0.005 local terms energy: -29.957688 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -7.864 flat angles C4'-P-C4' energy: -6.908 flat angles P-C4'-P energy: -6.108 tors. eta vs tors. theta energy: -3.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -55.732923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.732923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.732923 (E_RNA) where: Base-Base interactions energy: -26.056 where: short stacking energy: -16.610 Base-Backbone interact. energy: -0.407 local terms energy: -29.270220 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -4.798 flat angles P-C4'-P energy: -4.074 tors. eta vs tors. theta energy: -3.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -44.590873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.590873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.590873 (E_RNA) where: Base-Base interactions energy: -19.235 where: short stacking energy: -19.235 Base-Backbone interact. energy: -0.001 local terms energy: -25.354743 where: bonds (distance) C4'-P energy: -5.104 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -5.155 flat angles P-C4'-P energy: -6.328 tors. eta vs tors. theta energy: -1.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -40.821986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.821986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.821986 (E_RNA) where: Base-Base interactions energy: -16.768 where: short stacking energy: -16.768 Base-Backbone interact. energy: -0.154 local terms energy: -23.899055 where: bonds (distance) C4'-P energy: -4.844 bonds (distance) P-C4' energy: -7.318 flat angles C4'-P-C4' energy: -6.855 flat angles P-C4'-P energy: -3.901 tors. eta vs tors. theta energy: -0.981 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: 10, replica: 9 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -40.534165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.534165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.534165 (E_RNA) where: Base-Base interactions energy: -9.208 where: short stacking energy: -9.208 Base-Backbone interact. energy: -0.212 local terms energy: -31.114255 where: bonds (distance) C4'-P energy: -8.751 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.905 flat angles P-C4'-P energy: -2.987 tors. eta vs tors. theta energy: -1.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -67.047568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.047568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.047568 (E_RNA) where: Base-Base interactions energy: -33.010 where: short stacking energy: -21.406 Base-Backbone interact. energy: -0.060 local terms energy: -33.977272 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.489 flat angles P-C4'-P energy: -5.652 tors. eta vs tors. theta energy: -5.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -59.609982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.609982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.609982 (E_RNA) where: Base-Base interactions energy: -27.189 where: short stacking energy: -26.161 Base-Backbone interact. energy: -0.001 local terms energy: -32.420498 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -5.852 flat angles C4'-P-C4' energy: -5.970 flat angles P-C4'-P energy: -4.701 tors. eta vs tors. theta energy: -7.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -67.067598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.067598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.067598 (E_RNA) where: Base-Base interactions energy: -27.054 where: short stacking energy: -27.054 Base-Backbone interact. energy: -0.045 local terms energy: -39.968449 where: bonds (distance) C4'-P energy: -7.571 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -8.620 flat angles P-C4'-P energy: -6.105 tors. eta vs tors. theta energy: -8.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -64.357407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.357407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.357407 (E_RNA) where: Base-Base interactions energy: -33.287 where: short stacking energy: -19.901 Base-Backbone interact. energy: -0.712 local terms energy: -30.357722 where: bonds (distance) C4'-P energy: -6.140 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -4.958 flat angles P-C4'-P energy: -6.206 tors. eta vs tors. theta energy: -5.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -51.570789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.570789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.570789 (E_RNA) where: Base-Base interactions energy: -21.382 where: short stacking energy: -21.382 Base-Backbone interact. energy: -0.000 local terms energy: -30.188228 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -7.665 flat angles C4'-P-C4' energy: -6.792 flat angles P-C4'-P energy: -2.896 tors. eta vs tors. theta energy: -4.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -48.044304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.044304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.044304 (E_RNA) where: Base-Base interactions energy: -16.272 where: short stacking energy: -16.272 Base-Backbone interact. energy: -0.139 local terms energy: -31.633042 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.748 flat angles P-C4'-P energy: -6.053 tors. eta vs tors. theta energy: -0.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -53.640451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.640451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.640451 (E_RNA) where: Base-Base interactions energy: -23.550 where: short stacking energy: -15.393 Base-Backbone interact. energy: -0.069 local terms energy: -30.021553 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -9.289 flat angles C4'-P-C4' energy: -8.193 flat angles P-C4'-P energy: -4.809 tors. eta vs tors. theta energy: -0.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -51.434330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.434330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.434330 (E_RNA) where: Base-Base interactions energy: -23.199 where: short stacking energy: -18.754 Base-Backbone interact. energy: -0.029 local terms energy: -28.207008 where: bonds (distance) C4'-P energy: -3.382 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -7.254 flat angles P-C4'-P energy: -6.185 tors. eta vs tors. theta energy: -4.314 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: 9 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -41.974805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.974805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.974805 (E_RNA) where: Base-Base interactions energy: -13.122 where: short stacking energy: -13.122 Base-Backbone interact. energy: -0.098 local terms energy: -28.755458 where: bonds (distance) C4'-P energy: -5.138 bonds (distance) P-C4' energy: -8.343 flat angles C4'-P-C4' energy: -6.698 flat angles P-C4'-P energy: -5.698 tors. eta vs tors. theta energy: -2.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -42.275896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.275896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.275896 (E_RNA) where: Base-Base interactions energy: -14.381 where: short stacking energy: -10.157 Base-Backbone interact. energy: -0.004 local terms energy: -27.891281 where: bonds (distance) C4'-P energy: -7.157 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -6.472 flat angles P-C4'-P energy: -2.808 tors. eta vs tors. theta energy: -2.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -59.644129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.644129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.644129 (E_RNA) where: Base-Base interactions energy: -24.707 where: short stacking energy: -15.850 Base-Backbone interact. energy: -0.020 local terms energy: -34.916824 where: bonds (distance) C4'-P energy: -6.896 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.044 flat angles P-C4'-P energy: -5.210 tors. eta vs tors. theta energy: -7.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -62.532308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.532308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.532308 (E_RNA) where: Base-Base interactions energy: -25.979 where: short stacking energy: -25.979 Base-Backbone interact. energy: -0.001 local terms energy: -36.552174 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -6.259 flat angles P-C4'-P energy: -4.560 tors. eta vs tors. theta energy: -8.278 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: 5 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -57.851602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.851602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.851602 (E_RNA) where: Base-Base interactions energy: -26.763 where: short stacking energy: -23.447 Base-Backbone interact. energy: -0.111 local terms energy: -30.977797 where: bonds (distance) C4'-P energy: -6.956 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -7.823 flat angles P-C4'-P energy: -0.562 tors. eta vs tors. theta energy: -7.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -55.980955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.980955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.980955 (E_RNA) where: Base-Base interactions energy: -27.665 where: short stacking energy: -27.394 Base-Backbone interact. energy: -0.000 local terms energy: -28.315289 where: bonds (distance) C4'-P energy: -3.336 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -7.853 flat angles P-C4'-P energy: -4.130 tors. eta vs tors. theta energy: -5.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -54.160812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.160812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.160812 (E_RNA) where: Base-Base interactions energy: -23.787 where: short stacking energy: -23.787 Base-Backbone interact. energy: -0.000 local terms energy: -30.374019 where: bonds (distance) C4'-P energy: -4.596 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.954 flat angles P-C4'-P energy: -4.394 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: 6, replica: 7 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -51.860800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.860800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.860800 (E_RNA) where: Base-Base interactions energy: -24.356 where: short stacking energy: -24.356 Base-Backbone interact. energy: -0.000 local terms energy: -27.504347 where: bonds (distance) C4'-P energy: -4.819 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -7.886 flat angles P-C4'-P energy: -2.526 tors. eta vs tors. theta energy: -5.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -45.152228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.152228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.152228 (E_RNA) where: Base-Base interactions energy: -14.282 where: short stacking energy: -12.193 Base-Backbone interact. energy: -0.171 local terms energy: -30.699848 where: bonds (distance) C4'-P energy: -6.511 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -7.188 flat angles P-C4'-P energy: -4.364 tors. eta vs tors. theta energy: -3.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -44.470841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.470841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.470841 (E_RNA) where: Base-Base interactions energy: -16.421 where: short stacking energy: -16.421 Base-Backbone interact. energy: -0.183 local terms energy: -27.866640 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.852 flat angles P-C4'-P energy: -5.981 tors. eta vs tors. theta energy: -0.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -43.090139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.090139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.090139 (E_RNA) where: Base-Base interactions energy: -16.156 where: short stacking energy: -16.156 Base-Backbone interact. energy: -0.022 local terms energy: -26.911755 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -6.968 flat angles C4'-P-C4' energy: -4.943 flat angles P-C4'-P energy: -7.180 tors. eta vs tors. theta energy: -0.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -38.238026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.238026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.238026 (E_RNA) where: Base-Base interactions energy: -10.602 where: short stacking energy: -10.602 Base-Backbone interact. energy: 0.030 local terms energy: -27.666070 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.112 flat angles C4'-P-C4' energy: -7.938 flat angles P-C4'-P energy: -2.619 tors. eta vs tors. theta energy: -0.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -59.386251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.386251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.386251 (E_RNA) where: Base-Base interactions energy: -24.150 where: short stacking energy: -24.150 Base-Backbone interact. energy: -0.002 local terms energy: -35.234458 where: bonds (distance) C4'-P energy: -7.029 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.483 flat angles P-C4'-P energy: -6.106 tors. eta vs tors. theta energy: -5.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -63.939236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.939236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.939236 (E_RNA) where: Base-Base interactions energy: -34.366 where: short stacking energy: -30.201 Base-Backbone interact. energy: -0.001 local terms energy: -29.572461 where: bonds (distance) C4'-P energy: -3.236 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -8.978 flat angles P-C4'-P energy: -3.129 tors. eta vs tors. theta energy: -6.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -58.530842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.530842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.530842 (E_RNA) where: Base-Base interactions energy: -25.143 where: short stacking energy: -25.143 Base-Backbone interact. energy: -0.000 local terms energy: -33.387236 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -4.223 flat angles C4'-P-C4' energy: -7.654 flat angles P-C4'-P energy: -5.257 tors. eta vs tors. theta energy: -8.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -61.485999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.485999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.485999 (E_RNA) where: Base-Base interactions energy: -27.698 where: short stacking energy: -27.491 Base-Backbone interact. energy: -0.000 local terms energy: -33.787972 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -8.233 flat angles P-C4'-P energy: -2.499 tors. eta vs tors. theta energy: -7.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -56.157675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.157675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.157675 (E_RNA) where: Base-Base interactions energy: -31.781 where: short stacking energy: -14.510 Base-Backbone interact. energy: -0.038 local terms energy: -24.338714 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -6.632 flat angles P-C4'-P energy: -1.990 tors. eta vs tors. theta energy: -0.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -41.426607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.426607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.426607 (E_RNA) where: Base-Base interactions energy: -13.742 where: short stacking energy: -11.173 Base-Backbone interact. energy: -0.058 local terms energy: -27.627356 where: bonds (distance) C4'-P energy: -6.761 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -8.143 flat angles P-C4'-P energy: -4.273 tors. eta vs tors. theta energy: -0.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -44.799143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.799143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.799143 (E_RNA) where: Base-Base interactions energy: -16.569 where: short stacking energy: -16.431 Base-Backbone interact. energy: -0.099 local terms energy: -28.130862 where: bonds (distance) C4'-P energy: -6.173 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -6.910 flat angles P-C4'-P energy: -5.323 tors. eta vs tors. theta energy: -0.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -50.918556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.918556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.918556 (E_RNA) where: Base-Base interactions energy: -17.869 where: short stacking energy: -17.869 Base-Backbone interact. energy: -0.064 local terms energy: -32.985319 where: bonds (distance) C4'-P energy: -5.857 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.694 flat angles P-C4'-P energy: -5.768 tors. eta vs tors. theta energy: -5.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -40.454320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.454320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.454320 (E_RNA) where: Base-Base interactions energy: -15.292 where: short stacking energy: -13.936 Base-Backbone interact. energy: 0.463 local terms energy: -25.625087 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -7.922 flat angles C4'-P-C4' energy: -7.994 flat angles P-C4'-P energy: -2.772 tors. eta vs tors. theta energy: 0.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -45.656815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.656815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.656815 (E_RNA) where: Base-Base interactions energy: -16.784 where: short stacking energy: -16.784 Base-Backbone interact. energy: -0.093 local terms energy: -28.779159 where: bonds (distance) C4'-P energy: -7.695 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -3.312 flat angles P-C4'-P energy: -6.568 tors. eta vs tors. theta energy: -3.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -67.504682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.504682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.504682 (E_RNA) where: Base-Base interactions energy: -29.828 where: short stacking energy: -29.828 Base-Backbone interact. energy: -0.099 local terms energy: -37.577645 where: bonds (distance) C4'-P energy: -8.296 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -7.814 flat angles P-C4'-P energy: -2.640 tors. eta vs tors. theta energy: -9.278 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: 3 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -65.288791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.288791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.288791 (E_RNA) where: Base-Base interactions energy: -29.180 where: short stacking energy: -28.668 Base-Backbone interact. energy: -0.000 local terms energy: -36.108361 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -7.365 flat angles P-C4'-P energy: -4.403 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: 3, replica: 2 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -58.578033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.578033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.578033 (E_RNA) where: Base-Base interactions energy: -24.226 where: short stacking energy: -24.226 Base-Backbone interact. energy: -0.070 local terms energy: -34.282689 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -6.319 flat angles P-C4'-P energy: -4.718 tors. eta vs tors. theta energy: -7.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -52.599928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.599928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.599928 (E_RNA) where: Base-Base interactions energy: -20.510 where: short stacking energy: -19.790 Base-Backbone interact. energy: -0.005 local terms energy: -32.084480 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -7.917 flat angles C4'-P-C4' energy: -7.702 flat angles P-C4'-P energy: -4.224 tors. eta vs tors. theta energy: -3.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -59.309249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.309249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.309249 (E_RNA) where: Base-Base interactions energy: -28.630 where: short stacking energy: -28.630 Base-Backbone interact. energy: -0.000 local terms energy: -30.678916 where: bonds (distance) C4'-P energy: -6.485 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -6.859 flat angles P-C4'-P energy: -0.914 tors. eta vs tors. theta energy: -10.249 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: 9 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -44.392637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.392637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.392637 (E_RNA) where: Base-Base interactions energy: -17.981 where: short stacking energy: -17.981 Base-Backbone interact. energy: -0.209 local terms energy: -26.202777 where: bonds (distance) C4'-P energy: -4.666 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -8.485 flat angles P-C4'-P energy: -2.848 tors. eta vs tors. theta energy: -3.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -51.574515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.574515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.574515 (E_RNA) where: Base-Base interactions energy: -16.802 where: short stacking energy: -16.802 Base-Backbone interact. energy: -0.000 local terms energy: -34.772021 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.531 flat angles P-C4'-P energy: -5.687 tors. eta vs tors. theta energy: -4.229 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: 6 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -45.308933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.308933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.308933 (E_RNA) where: Base-Base interactions energy: -14.333 where: short stacking energy: -14.055 Base-Backbone interact. energy: -0.095 local terms energy: -30.881350 where: bonds (distance) C4'-P energy: -7.394 bonds (distance) P-C4' energy: -6.524 flat angles C4'-P-C4' energy: -7.500 flat angles P-C4'-P energy: -6.754 tors. eta vs tors. theta energy: -2.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -45.687726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.687726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.687726 (E_RNA) where: Base-Base interactions energy: -18.742 where: short stacking energy: -18.742 Base-Backbone interact. energy: -0.000 local terms energy: -26.945870 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -6.371 flat angles P-C4'-P energy: -3.869 tors. eta vs tors. theta energy: -3.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -45.062680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.062680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.062680 (E_RNA) where: Base-Base interactions energy: -17.677 where: short stacking energy: -17.677 Base-Backbone interact. energy: -0.109 local terms energy: -27.275744 where: bonds (distance) C4'-P energy: -7.724 bonds (distance) P-C4' energy: -7.643 flat angles C4'-P-C4' energy: -4.136 flat angles P-C4'-P energy: -6.505 tors. eta vs tors. theta energy: -1.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -74.127280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.127280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.127280 (E_RNA) where: Base-Base interactions energy: -42.569 where: short stacking energy: -31.054 Base-Backbone interact. energy: -0.034 local terms energy: -31.523923 where: bonds (distance) C4'-P energy: -6.318 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.018 flat angles P-C4'-P energy: -6.956 tors. eta vs tors. theta energy: -4.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -62.514509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.514509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.514509 (E_RNA) where: Base-Base interactions energy: -25.813 where: short stacking energy: -25.496 Base-Backbone interact. energy: -0.081 local terms energy: -36.621318 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -7.967 flat angles P-C4'-P energy: -3.029 tors. eta vs tors. theta energy: -8.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -52.346837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.346837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.346837 (E_RNA) where: Base-Base interactions energy: -21.272 where: short stacking energy: -17.880 Base-Backbone interact. energy: -0.003 local terms energy: -31.071817 where: bonds (distance) C4'-P energy: -6.478 bonds (distance) P-C4' energy: -7.886 flat angles C4'-P-C4' energy: -8.002 flat angles P-C4'-P energy: -3.762 tors. eta vs tors. theta energy: -4.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -55.160001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.160001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.160001 (E_RNA) where: Base-Base interactions energy: -18.711 where: short stacking energy: -18.711 Base-Backbone interact. energy: -0.070 local terms energy: -36.379321 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.244 flat angles P-C4'-P energy: -7.174 tors. eta vs tors. theta energy: -3.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -53.264836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.264836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.264836 (E_RNA) where: Base-Base interactions energy: -25.268 where: short stacking energy: -19.729 Base-Backbone interact. energy: -0.231 local terms energy: -27.765665 where: bonds (distance) C4'-P energy: -7.852 bonds (distance) P-C4' energy: -6.913 flat angles C4'-P-C4' energy: -5.691 flat angles P-C4'-P energy: -4.680 tors. eta vs tors. theta energy: -2.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -53.911612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.911612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.911612 (E_RNA) where: Base-Base interactions energy: -21.926 where: short stacking energy: -18.547 Base-Backbone interact. energy: -0.001 local terms energy: -31.983986 where: bonds (distance) C4'-P energy: -5.096 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -5.679 flat angles P-C4'-P energy: -5.790 tors. eta vs tors. theta energy: -6.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -50.480815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.480815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.480815 (E_RNA) where: Base-Base interactions energy: -23.175 where: short stacking energy: -23.175 Base-Backbone interact. energy: -0.019 local terms energy: -27.286659 where: bonds (distance) C4'-P energy: -8.006 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -5.366 flat angles P-C4'-P energy: -1.482 tors. eta vs tors. theta energy: -3.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -51.727882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.727882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.727882 (E_RNA) where: Base-Base interactions energy: -23.569 where: short stacking energy: -23.569 Base-Backbone interact. energy: -0.001 local terms energy: -28.158421 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -6.810 flat angles P-C4'-P energy: -0.178 tors. eta vs tors. theta energy: -6.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -38.954514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.954514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.954514 (E_RNA) where: Base-Base interactions energy: -13.150 where: short stacking energy: -13.150 Base-Backbone interact. energy: -0.028 local terms energy: -25.776948 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.754 flat angles P-C4'-P energy: -3.074 tors. eta vs tors. theta energy: -0.907 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: 4 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -40.343904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.343904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.343904 (E_RNA) where: Base-Base interactions energy: -14.035 where: short stacking energy: -14.035 Base-Backbone interact. energy: -0.001 local terms energy: -26.308029 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -6.680 flat angles C4'-P-C4' energy: -3.888 flat angles P-C4'-P energy: -1.891 tors. eta vs tors. theta energy: -6.369 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: 1, replica: 10 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -76.217406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.217406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.217406 (E_RNA) where: Base-Base interactions energy: -41.715 where: short stacking energy: -34.488 Base-Backbone interact. energy: -0.001 local terms energy: -34.501165 where: bonds (distance) C4'-P energy: -6.744 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -5.186 flat angles P-C4'-P energy: -5.688 tors. eta vs tors. theta energy: -8.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -56.995759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.995759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.995759 (E_RNA) where: Base-Base interactions energy: -23.924 where: short stacking energy: -23.146 Base-Backbone interact. energy: -0.077 local terms energy: -32.994854 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -8.188 flat angles P-C4'-P energy: -0.803 tors. eta vs tors. theta energy: -8.247 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: 3 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -63.474277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.474277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.474277 (E_RNA) where: Base-Base interactions energy: -27.197 where: short stacking energy: -27.060 Base-Backbone interact. energy: -0.047 local terms energy: -36.230113 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.499 flat angles P-C4'-P energy: -5.486 tors. eta vs tors. theta energy: -7.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -50.580977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.580977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.580977 (E_RNA) where: Base-Base interactions energy: -21.426 where: short stacking energy: -19.402 Base-Backbone interact. energy: -0.143 local terms energy: -29.011783 where: bonds (distance) C4'-P energy: -7.497 bonds (distance) P-C4' energy: -7.760 flat angles C4'-P-C4' energy: -6.372 flat angles P-C4'-P energy: -4.415 tors. eta vs tors. theta energy: -2.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -58.382171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.382171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.382171 (E_RNA) where: Base-Base interactions energy: -28.368 where: short stacking energy: -28.368 Base-Backbone interact. energy: -0.007 local terms energy: -30.007721 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -4.490 flat angles C4'-P-C4' energy: -8.019 flat angles P-C4'-P energy: -5.768 tors. eta vs tors. theta energy: -4.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -50.946983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.946983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.946983 (E_RNA) where: Base-Base interactions energy: -24.707 where: short stacking energy: -24.250 Base-Backbone interact. energy: -0.000 local terms energy: -26.239697 where: bonds (distance) C4'-P energy: -4.682 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -6.021 flat angles P-C4'-P energy: 0.280 tors. eta vs tors. theta energy: -6.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -49.165645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.165645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.165645 (E_RNA) where: Base-Base interactions energy: -18.084 where: short stacking energy: -18.084 Base-Backbone interact. energy: -0.048 local terms energy: -31.033295 where: bonds (distance) C4'-P energy: -5.291 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.815 flat angles P-C4'-P energy: -5.665 tors. eta vs tors. theta energy: -3.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -51.932616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.932616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.932616 (E_RNA) where: Base-Base interactions energy: -25.025 where: short stacking energy: -16.369 Base-Backbone interact. energy: -0.072 local terms energy: -26.835638 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -8.437 flat angles C4'-P-C4' energy: -5.913 flat angles P-C4'-P energy: -3.026 tors. eta vs tors. theta energy: -2.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -41.965401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.965401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.965401 (E_RNA) where: Base-Base interactions energy: -20.548 where: short stacking energy: -19.067 Base-Backbone interact. energy: -0.077 local terms energy: -21.340100 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -2.474 flat angles C4'-P-C4' energy: -8.125 flat angles P-C4'-P energy: -0.661 tors. eta vs tors. theta energy: -2.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -53.822549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.822549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.822549 (E_RNA) where: Base-Base interactions energy: -24.575 where: short stacking energy: -16.090 Base-Backbone interact. energy: -0.033 local terms energy: -29.214418 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -5.765 flat angles C4'-P-C4' energy: -7.647 flat angles P-C4'-P energy: -5.402 tors. eta vs tors. theta energy: -1.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -74.215852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.215852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.215852 (E_RNA) where: Base-Base interactions energy: -36.502 where: short stacking energy: -36.502 Base-Backbone interact. energy: -0.000 local terms energy: -37.713414 where: bonds (distance) C4'-P energy: -7.062 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -8.027 flat angles P-C4'-P energy: -4.081 tors. eta vs tors. theta energy: -10.527 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: 7 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -58.072955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.072955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.072955 (E_RNA) where: Base-Base interactions energy: -23.183 where: short stacking energy: -23.183 Base-Backbone interact. energy: -0.857 local terms energy: -34.032516 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.222 flat angles P-C4'-P energy: -4.842 tors. eta vs tors. theta energy: -4.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -60.144272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.144272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.144272 (E_RNA) where: Base-Base interactions energy: -31.168 where: short stacking energy: -30.120 Base-Backbone interact. energy: -0.017 local terms energy: -28.959042 where: bonds (distance) C4'-P energy: -4.951 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -5.979 flat angles P-C4'-P energy: -3.948 tors. eta vs tors. theta energy: -6.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -48.687358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.687358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.687358 (E_RNA) where: Base-Base interactions energy: -22.458 where: short stacking energy: -14.145 Base-Backbone interact. energy: -0.044 local terms energy: -26.185996 where: bonds (distance) C4'-P energy: -6.263 bonds (distance) P-C4' energy: -8.243 flat angles C4'-P-C4' energy: -6.640 flat angles P-C4'-P energy: -2.401 tors. eta vs tors. theta energy: -2.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -52.953761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.953761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.953761 (E_RNA) where: Base-Base interactions energy: -21.759 where: short stacking energy: -21.759 Base-Backbone interact. energy: -0.012 local terms energy: -31.183083 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -8.361 flat angles C4'-P-C4' energy: -7.719 flat angles P-C4'-P energy: -4.614 tors. eta vs tors. theta energy: -4.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -53.420548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.420548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.420548 (E_RNA) where: Base-Base interactions energy: -20.576 where: short stacking energy: -20.576 Base-Backbone interact. energy: -0.000 local terms energy: -32.844593 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -6.846 flat angles C4'-P-C4' energy: -8.981 flat angles P-C4'-P energy: -5.597 tors. eta vs tors. theta energy: -4.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -47.738788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.738788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.738788 (E_RNA) where: Base-Base interactions energy: -22.128 where: short stacking energy: -22.128 Base-Backbone interact. energy: -0.003 local terms energy: -25.608283 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -8.510 flat angles C4'-P-C4' energy: -5.518 flat angles P-C4'-P energy: -0.242 tors. eta vs tors. theta energy: -4.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -45.750583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.750583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.750583 (E_RNA) where: Base-Base interactions energy: -18.958 where: short stacking energy: -12.199 Base-Backbone interact. energy: -0.432 local terms energy: -26.360754 where: bonds (distance) C4'-P energy: -5.821 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.584 flat angles P-C4'-P energy: -4.315 tors. eta vs tors. theta energy: -2.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -36.586910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.586910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.586910 (E_RNA) where: Base-Base interactions energy: -11.211 where: short stacking energy: -10.311 Base-Backbone interact. energy: -0.447 local terms energy: -24.928910 where: bonds (distance) C4'-P energy: -9.053 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -1.737 flat angles P-C4'-P energy: -2.889 tors. eta vs tors. theta energy: -1.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -39.412432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.412432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.412432 (E_RNA) where: Base-Base interactions energy: -15.734 where: short stacking energy: -9.728 Base-Backbone interact. energy: -0.000 local terms energy: -23.677751 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -7.637 flat angles C4'-P-C4' energy: -5.425 flat angles P-C4'-P energy: -4.042 tors. eta vs tors. theta energy: 0.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -70.320359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.320359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.320359 (E_RNA) where: Base-Base interactions energy: -33.266 where: short stacking energy: -33.266 Base-Backbone interact. energy: -0.000 local terms energy: -37.053735 where: bonds (distance) C4'-P energy: -7.320 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -6.305 flat angles P-C4'-P energy: -6.651 tors. eta vs tors. theta energy: -8.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -60.662406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.662406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.662406 (E_RNA) where: Base-Base interactions energy: -27.541 where: short stacking energy: -23.705 Base-Backbone interact. energy: -0.001 local terms energy: -33.119826 where: bonds (distance) C4'-P energy: -7.137 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -6.866 flat angles P-C4'-P energy: -5.442 tors. eta vs tors. theta energy: -4.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -57.601418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.601418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.601418 (E_RNA) where: Base-Base interactions energy: -21.320 where: short stacking energy: -21.320 Base-Backbone interact. energy: -0.002 local terms energy: -36.279544 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.950 flat angles P-C4'-P energy: -6.850 tors. eta vs tors. theta energy: -4.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -58.530278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.530278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.530278 (E_RNA) where: Base-Base interactions energy: -25.104 where: short stacking energy: -25.104 Base-Backbone interact. energy: -0.000 local terms energy: -33.426006 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -6.988 flat angles P-C4'-P energy: -2.980 tors. eta vs tors. theta energy: -6.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -51.976585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.976585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.976585 (E_RNA) where: Base-Base interactions energy: -20.478 where: short stacking energy: -20.231 Base-Backbone interact. energy: 0.152 local terms energy: -31.650517 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -2.877 flat angles P-C4'-P energy: -6.359 tors. eta vs tors. theta energy: -5.124 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: 6 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -51.430052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.430052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.430052 (E_RNA) where: Base-Base interactions energy: -19.775 where: short stacking energy: -18.668 Base-Backbone interact. energy: -0.102 local terms energy: -31.552497 where: bonds (distance) C4'-P energy: -6.934 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.519 flat angles P-C4'-P energy: -5.966 tors. eta vs tors. theta energy: -3.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -44.494304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.494304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.494304 (E_RNA) where: Base-Base interactions energy: -15.403 where: short stacking energy: -15.703 Base-Backbone interact. energy: 0.420 local terms energy: -29.511475 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -8.441 flat angles P-C4'-P energy: -4.345 tors. eta vs tors. theta energy: -2.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -53.640312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.640312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.640312 (E_RNA) where: Base-Base interactions energy: -18.760 where: short stacking energy: -18.760 Base-Backbone interact. energy: -0.000 local terms energy: -34.879359 where: bonds (distance) C4'-P energy: -7.229 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -7.923 flat angles P-C4'-P energy: -5.114 tors. eta vs tors. theta energy: -7.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -39.417744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.417744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.417744 (E_RNA) where: Base-Base interactions energy: -15.641 where: short stacking energy: -15.641 Base-Backbone interact. energy: -0.050 local terms energy: -23.726556 where: bonds (distance) C4'-P energy: -5.960 bonds (distance) P-C4' energy: -8.573 flat angles C4'-P-C4' energy: -6.184 flat angles P-C4'-P energy: -5.012 tors. eta vs tors. theta energy: 2.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -43.820227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.820227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.820227 (E_RNA) where: Base-Base interactions energy: -17.517 where: short stacking energy: -16.305 Base-Backbone interact. energy: -0.012 local terms energy: -26.291302 where: bonds (distance) C4'-P energy: -5.742 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.882 flat angles P-C4'-P energy: -3.338 tors. eta vs tors. theta energy: -5.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -72.117651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.117651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.117651 (E_RNA) where: Base-Base interactions energy: -34.256 where: short stacking energy: -34.256 Base-Backbone interact. energy: -0.012 local terms energy: -37.849191 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -8.251 flat angles P-C4'-P energy: -6.134 tors. eta vs tors. theta energy: -8.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -64.393840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.393840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.393840 (E_RNA) where: Base-Base interactions energy: -28.607 where: short stacking energy: -19.547 Base-Backbone interact. energy: -0.004 local terms energy: -35.783029 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -8.135 flat angles P-C4'-P energy: -4.373 tors. eta vs tors. theta energy: -5.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -67.065769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.065769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.065769 (E_RNA) where: Base-Base interactions energy: -28.335 where: short stacking energy: -27.061 Base-Backbone interact. energy: -0.000 local terms energy: -38.730516 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -7.418 flat angles P-C4'-P energy: -6.458 tors. eta vs tors. theta energy: -9.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -60.200432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.200432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.200432 (E_RNA) where: Base-Base interactions energy: -35.063 where: short stacking energy: -18.822 Base-Backbone interact. energy: 0.055 local terms energy: -25.192865 where: bonds (distance) C4'-P energy: -6.151 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -6.107 flat angles P-C4'-P energy: -3.188 tors. eta vs tors. theta energy: -0.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -44.174063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.174063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.174063 (E_RNA) where: Base-Base interactions energy: -15.178 where: short stacking energy: -15.178 Base-Backbone interact. energy: -0.053 local terms energy: -28.943859 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -6.474 flat angles P-C4'-P energy: -7.098 tors. eta vs tors. theta energy: -0.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -47.402783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.402783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.402783 (E_RNA) where: Base-Base interactions energy: -15.101 where: short stacking energy: -15.101 Base-Backbone interact. energy: -0.000 local terms energy: -32.301471 where: bonds (distance) C4'-P energy: -8.788 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -5.926 flat angles P-C4'-P energy: -5.005 tors. eta vs tors. theta energy: -4.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -47.382018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.382018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.382018 (E_RNA) where: Base-Base interactions energy: -15.965 where: short stacking energy: -15.965 Base-Backbone interact. energy: -0.113 local terms energy: -31.304072 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -7.036 flat angles C4'-P-C4' energy: -6.866 flat angles P-C4'-P energy: -6.275 tors. eta vs tors. theta energy: -4.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -61.648476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.648476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.648476 (E_RNA) where: Base-Base interactions energy: -25.325 where: short stacking energy: -19.258 Base-Backbone interact. energy: -0.000 local terms energy: -36.323349 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.291 flat angles P-C4'-P energy: -4.633 tors. eta vs tors. theta energy: -8.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -53.194377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.194377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.194377 (E_RNA) where: Base-Base interactions energy: -22.070 where: short stacking energy: -22.070 Base-Backbone interact. energy: -0.000 local terms energy: -31.123930 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -3.621 flat angles C4'-P-C4' energy: -7.947 flat angles P-C4'-P energy: -4.965 tors. eta vs tors. theta energy: -6.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -42.374963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.374963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.374963 (E_RNA) where: Base-Base interactions energy: -13.267 where: short stacking energy: -13.267 Base-Backbone interact. energy: -0.000 local terms energy: -29.107635 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -7.419 flat angles P-C4'-P energy: -1.873 tors. eta vs tors. theta energy: -3.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -64.716820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.716820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.716820 (E_RNA) where: Base-Base interactions energy: -29.678 where: short stacking energy: -29.678 Base-Backbone interact. energy: -0.000 local terms energy: -35.038299 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -6.932 flat angles P-C4'-P energy: -5.693 tors. eta vs tors. theta energy: -6.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -73.519980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.519980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.519980 (E_RNA) where: Base-Base interactions energy: -40.851 where: short stacking energy: -27.303 Base-Backbone interact. energy: -0.045 local terms energy: -32.623450 where: bonds (distance) C4'-P energy: -4.798 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -8.912 flat angles P-C4'-P energy: -3.420 tors. eta vs tors. theta energy: -7.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -63.002987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.002987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.002987 (E_RNA) where: Base-Base interactions energy: -25.729 where: short stacking energy: -25.729 Base-Backbone interact. energy: -0.000 local terms energy: -37.274351 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -8.016 flat angles P-C4'-P energy: -3.509 tors. eta vs tors. theta energy: -8.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -56.877454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.877454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.877454 (E_RNA) where: Base-Base interactions energy: -24.808 where: short stacking energy: -21.146 Base-Backbone interact. energy: -0.006 local terms energy: -32.062859 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -7.938 flat angles C4'-P-C4' energy: -7.753 flat angles P-C4'-P energy: -4.663 tors. eta vs tors. theta energy: -5.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -61.960047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.960047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.960047 (E_RNA) where: Base-Base interactions energy: -29.286 where: short stacking energy: -29.286 Base-Backbone interact. energy: -0.000 local terms energy: -32.674285 where: bonds (distance) C4'-P energy: -2.995 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -6.855 flat angles P-C4'-P energy: -4.961 tors. eta vs tors. theta energy: -8.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -48.603729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.603729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.603729 (E_RNA) where: Base-Base interactions energy: -17.101 where: short stacking energy: -7.591 Base-Backbone interact. energy: -0.024 local terms energy: -31.478832 where: bonds (distance) C4'-P energy: -7.908 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -6.090 flat angles P-C4'-P energy: -6.594 tors. eta vs tors. theta energy: -2.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -47.299562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.299562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.299562 (E_RNA) where: Base-Base interactions energy: -19.858 where: short stacking energy: -19.858 Base-Backbone interact. energy: -0.144 local terms energy: -27.297474 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.470 flat angles C4'-P-C4' energy: -8.418 flat angles P-C4'-P energy: -4.061 tors. eta vs tors. theta energy: -3.644 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: 8 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -43.798835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.798835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.798835 (E_RNA) where: Base-Base interactions energy: -15.865 where: short stacking energy: -15.865 Base-Backbone interact. energy: -0.000 local terms energy: -27.933832 where: bonds (distance) C4'-P energy: -7.340 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.438 flat angles P-C4'-P energy: -1.163 tors. eta vs tors. theta energy: -6.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -43.350378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.350378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.350378 (E_RNA) where: Base-Base interactions energy: -12.184 where: short stacking energy: -11.888 Base-Backbone interact. energy: -0.000 local terms energy: -31.166580 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -7.970 flat angles P-C4'-P energy: -5.962 tors. eta vs tors. theta energy: -3.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -41.249958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.249958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.249958 (E_RNA) where: Base-Base interactions energy: -15.288 where: short stacking energy: -15.288 Base-Backbone interact. energy: -0.001 local terms energy: -25.960649 where: bonds (distance) C4'-P energy: -4.620 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -8.446 flat angles P-C4'-P energy: 0.610 tors. eta vs tors. theta energy: -5.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -71.350858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.350858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.350858 (E_RNA) where: Base-Base interactions energy: -37.657 where: short stacking energy: -26.191 Base-Backbone interact. energy: -0.296 local terms energy: -33.398837 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -7.888 flat angles P-C4'-P energy: -4.059 tors. eta vs tors. theta energy: -4.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -66.811707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.811707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.811707 (E_RNA) where: Base-Base interactions energy: -30.298 where: short stacking energy: -30.298 Base-Backbone interact. energy: -0.000 local terms energy: -36.513478 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.980 flat angles P-C4'-P energy: -3.496 tors. eta vs tors. theta energy: -9.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -60.371503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.371503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.371503 (E_RNA) where: Base-Base interactions energy: -26.511 where: short stacking energy: -26.511 Base-Backbone interact. energy: -0.086 local terms energy: -33.774736 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.137 flat angles P-C4'-P energy: -0.730 tors. eta vs tors. theta energy: -8.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -55.936514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.936514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.936514 (E_RNA) where: Base-Base interactions energy: -20.979 where: short stacking energy: -20.979 Base-Backbone interact. energy: -0.035 local terms energy: -34.922584 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -8.552 flat angles P-C4'-P energy: -4.949 tors. eta vs tors. theta energy: -3.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -51.179747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.179747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.179747 (E_RNA) where: Base-Base interactions energy: -25.342 where: short stacking energy: -18.007 Base-Backbone interact. energy: -0.180 local terms energy: -25.657905 where: bonds (distance) C4'-P energy: -5.034 bonds (distance) P-C4' energy: -7.938 flat angles C4'-P-C4' energy: -6.384 flat angles P-C4'-P energy: -5.924 tors. eta vs tors. theta energy: -0.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -48.121905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.121905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.121905 (E_RNA) where: Base-Base interactions energy: -18.882 where: short stacking energy: -18.882 Base-Backbone interact. energy: -0.001 local terms energy: -29.239243 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -5.435 flat angles P-C4'-P energy: -4.655 tors. eta vs tors. theta energy: -4.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -46.800372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.800372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.800372 (E_RNA) where: Base-Base interactions energy: -20.053 where: short stacking energy: -20.053 Base-Backbone interact. energy: -0.001 local terms energy: -26.746803 where: bonds (distance) C4'-P energy: -7.484 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.402 flat angles P-C4'-P energy: 0.440 tors. eta vs tors. theta energy: -3.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -47.907925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.907925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.907925 (E_RNA) where: Base-Base interactions energy: -17.719 where: short stacking energy: -17.719 Base-Backbone interact. energy: -0.020 local terms energy: -30.168808 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -9.031 flat angles C4'-P-C4' energy: -4.640 flat angles P-C4'-P energy: -4.981 tors. eta vs tors. theta energy: -6.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -42.492286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.492286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.492286 (E_RNA) where: Base-Base interactions energy: -15.254 where: short stacking energy: -15.047 Base-Backbone interact. energy: -0.106 local terms energy: -27.132738 where: bonds (distance) C4'-P energy: -5.430 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -4.924 flat angles P-C4'-P energy: -5.216 tors. eta vs tors. theta energy: -4.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -42.087740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.087740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.087740 (E_RNA) where: Base-Base interactions energy: -20.276 where: short stacking energy: -14.042 Base-Backbone interact. energy: 0.047 local terms energy: -21.859608 where: bonds (distance) C4'-P energy: -6.876 bonds (distance) P-C4' energy: -4.420 flat angles C4'-P-C4' energy: -6.083 flat angles P-C4'-P energy: -2.814 tors. eta vs tors. theta energy: -1.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -69.635203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.635203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.635203 (E_RNA) where: Base-Base interactions energy: -35.976 where: short stacking energy: -24.119 Base-Backbone interact. energy: -0.004 local terms energy: -33.654816 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.604 flat angles P-C4'-P energy: -5.698 tors. eta vs tors. theta energy: -4.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -70.325930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.325930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.325930 (E_RNA) where: Base-Base interactions energy: -37.589 where: short stacking energy: -25.975 Base-Backbone interact. energy: -0.093 local terms energy: -32.643162 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -7.058 flat angles C4'-P-C4' energy: -7.509 flat angles P-C4'-P energy: -6.571 tors. eta vs tors. theta energy: -4.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -56.017257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.017257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.017257 (E_RNA) where: Base-Base interactions energy: -22.689 where: short stacking energy: -15.611 Base-Backbone interact. energy: -0.018 local terms energy: -33.310665 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -8.091 flat angles C4'-P-C4' energy: -6.056 flat angles P-C4'-P energy: -5.157 tors. eta vs tors. theta energy: -6.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -63.839697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.839697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.839697 (E_RNA) where: Base-Base interactions energy: -27.285 where: short stacking energy: -27.285 Base-Backbone interact. energy: -0.000 local terms energy: -36.554381 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -7.449 flat angles P-C4'-P energy: -6.813 tors. eta vs tors. theta energy: -6.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -52.337519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.337519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.337519 (E_RNA) where: Base-Base interactions energy: -17.035 where: short stacking energy: -7.762 Base-Backbone interact. energy: -0.866 local terms energy: -34.437212 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -6.933 flat angles P-C4'-P energy: -5.945 tors. eta vs tors. theta energy: -4.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -47.667142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.667142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.667142 (E_RNA) where: Base-Base interactions energy: -22.190 where: short stacking energy: -21.131 Base-Backbone interact. energy: -0.033 local terms energy: -25.444169 where: bonds (distance) C4'-P energy: -6.036 bonds (distance) P-C4' energy: -5.201 flat angles C4'-P-C4' energy: -7.040 flat angles P-C4'-P energy: -3.700 tors. eta vs tors. theta energy: -3.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -49.846487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.846487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.846487 (E_RNA) where: Base-Base interactions energy: -20.781 where: short stacking energy: -13.960 Base-Backbone interact. energy: -0.000 local terms energy: -29.064751 where: bonds (distance) C4'-P energy: -6.326 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -6.421 flat angles P-C4'-P energy: -4.808 tors. eta vs tors. theta energy: -2.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -48.972729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.972729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.972729 (E_RNA) where: Base-Base interactions energy: -18.039 where: short stacking energy: -17.669 Base-Backbone interact. energy: -0.002 local terms energy: -30.931723 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -4.643 flat angles P-C4'-P energy: -6.449 tors. eta vs tors. theta energy: -5.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -42.190975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.190975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.190975 (E_RNA) where: Base-Base interactions energy: -15.370 where: short stacking energy: -15.470 Base-Backbone interact. energy: -0.078 local terms energy: -26.743133 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -6.291 flat angles P-C4'-P energy: -3.753 tors. eta vs tors. theta energy: -0.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -48.194227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.194227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.194227 (E_RNA) where: Base-Base interactions energy: -18.753 where: short stacking energy: -18.753 Base-Backbone interact. energy: -0.044 local terms energy: -29.396973 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -9.150 flat angles P-C4'-P energy: -3.877 tors. eta vs tors. theta energy: -2.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -83.353168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.353168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.353168 (E_RNA) where: Base-Base interactions energy: -47.429 where: short stacking energy: -31.160 Base-Backbone interact. energy: -0.450 local terms energy: -35.473507 where: bonds (distance) C4'-P energy: -6.379 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.446 flat angles P-C4'-P energy: -6.143 tors. eta vs tors. theta energy: -6.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -67.352138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.352138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.352138 (E_RNA) where: Base-Base interactions energy: -29.937 where: short stacking energy: -29.937 Base-Backbone interact. energy: -0.000 local terms energy: -37.415427 where: bonds (distance) C4'-P energy: -7.452 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -8.570 flat angles P-C4'-P energy: -1.852 tors. eta vs tors. theta energy: -9.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -67.413978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.413978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.413978 (E_RNA) where: Base-Base interactions energy: -29.409 where: short stacking energy: -29.409 Base-Backbone interact. energy: -0.000 local terms energy: -38.004544 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -7.005 flat angles C4'-P-C4' energy: -8.434 flat angles P-C4'-P energy: -4.243 tors. eta vs tors. theta energy: -10.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -55.768953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.768953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.768953 (E_RNA) where: Base-Base interactions energy: -19.116 where: short stacking energy: -19.116 Base-Backbone interact. energy: -0.008 local terms energy: -36.645275 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -7.293 flat angles P-C4'-P energy: -5.498 tors. eta vs tors. theta energy: -7.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -54.274336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.274336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.274336 (E_RNA) where: Base-Base interactions energy: -20.374 where: short stacking energy: -15.085 Base-Backbone interact. energy: -0.001 local terms energy: -33.899337 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.153 flat angles P-C4'-P energy: -4.145 tors. eta vs tors. theta energy: -5.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -51.617383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.617383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.617383 (E_RNA) where: Base-Base interactions energy: -15.842 where: short stacking energy: -15.842 Base-Backbone interact. energy: -0.010 local terms energy: -35.765428 where: bonds (distance) C4'-P energy: -6.736 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -9.045 flat angles P-C4'-P energy: -7.028 tors. eta vs tors. theta energy: -4.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -45.577219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.577219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.577219 (E_RNA) where: Base-Base interactions energy: -20.868 where: short stacking energy: -20.868 Base-Backbone interact. energy: -0.004 local terms energy: -24.704755 where: bonds (distance) C4'-P energy: -7.021 bonds (distance) P-C4' energy: -5.147 flat angles C4'-P-C4' energy: -8.460 flat angles P-C4'-P energy: -1.455 tors. eta vs tors. theta energy: -2.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -47.271666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.271666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.271666 (E_RNA) where: Base-Base interactions energy: -20.106 where: short stacking energy: -19.031 Base-Backbone interact. energy: -0.001 local terms energy: -27.164012 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.643 flat angles C4'-P-C4' energy: -4.883 flat angles P-C4'-P energy: -3.210 tors. eta vs tors. theta energy: -2.663 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: 2 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -44.884660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.884660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.884660 (E_RNA) where: Base-Base interactions energy: -14.859 where: short stacking energy: -14.859 Base-Backbone interact. energy: -0.001 local terms energy: -30.024409 where: bonds (distance) C4'-P energy: -7.107 bonds (distance) P-C4' energy: -6.572 flat angles C4'-P-C4' energy: -8.166 flat angles P-C4'-P energy: -3.130 tors. eta vs tors. theta energy: -5.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -43.011879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.011879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.011879 (E_RNA) where: Base-Base interactions energy: -17.468 where: short stacking energy: -17.061 Base-Backbone interact. energy: -0.529 local terms energy: -25.014931 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -6.980 flat angles C4'-P-C4' energy: -6.946 flat angles P-C4'-P energy: -3.554 tors. eta vs tors. theta energy: -2.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -79.315426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.315426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.315426 (E_RNA) where: Base-Base interactions energy: -44.571 where: short stacking energy: -27.010 Base-Backbone interact. energy: -2.338 local terms energy: -32.406114 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -7.591 flat angles P-C4'-P energy: -5.322 tors. eta vs tors. theta energy: -4.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -73.639491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.639491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.639491 (E_RNA) where: Base-Base interactions energy: -37.739 where: short stacking energy: -34.754 Base-Backbone interact. energy: -0.000 local terms energy: -35.900083 where: bonds (distance) C4'-P energy: -5.468 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -6.219 flat angles P-C4'-P energy: -4.532 tors. eta vs tors. theta energy: -9.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -57.808617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.808617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.808617 (E_RNA) where: Base-Base interactions energy: -27.012 where: short stacking energy: -24.117 Base-Backbone interact. energy: -0.124 local terms energy: -30.672956 where: bonds (distance) C4'-P energy: -6.922 bonds (distance) P-C4' energy: -7.091 flat angles C4'-P-C4' energy: -7.917 flat angles P-C4'-P energy: -4.960 tors. eta vs tors. theta energy: -3.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -56.176427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.176427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.176427 (E_RNA) where: Base-Base interactions energy: -24.325 where: short stacking energy: -24.325 Base-Backbone interact. energy: -0.002 local terms energy: -31.849280 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -6.477 flat angles C4'-P-C4' energy: -9.446 flat angles P-C4'-P energy: -5.106 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: 5, replica: 10 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -51.066579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.066579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.066579 (E_RNA) where: Base-Base interactions energy: -19.375 where: short stacking energy: -17.852 Base-Backbone interact. energy: -0.016 local terms energy: -31.675903 where: bonds (distance) C4'-P energy: -6.813 bonds (distance) P-C4' energy: -7.664 flat angles C4'-P-C4' energy: -7.665 flat angles P-C4'-P energy: -5.749 tors. eta vs tors. theta energy: -3.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -50.941454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.941454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.941454 (E_RNA) where: Base-Base interactions energy: -19.117 where: short stacking energy: -19.117 Base-Backbone interact. energy: -0.053 local terms energy: -31.771906 where: bonds (distance) C4'-P energy: -6.086 bonds (distance) P-C4' energy: -7.820 flat angles C4'-P-C4' energy: -7.536 flat angles P-C4'-P energy: -6.916 tors. eta vs tors. theta energy: -3.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -64.530587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.530587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.530587 (E_RNA) where: Base-Base interactions energy: -28.870 where: short stacking energy: -28.870 Base-Backbone interact. energy: -0.000 local terms energy: -35.660295 where: bonds (distance) C4'-P energy: -6.090 bonds (distance) P-C4' energy: -7.501 flat angles C4'-P-C4' energy: -8.706 flat angles P-C4'-P energy: -3.782 tors. eta vs tors. theta energy: -9.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -44.897219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.897219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.897219 (E_RNA) where: Base-Base interactions energy: -15.927 where: short stacking energy: -15.927 Base-Backbone interact. energy: -0.000 local terms energy: -28.970285 where: bonds (distance) C4'-P energy: -6.790 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -3.519 flat angles P-C4'-P energy: -5.313 tors. eta vs tors. theta energy: -4.927 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: 7 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -46.336149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.336149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.336149 (E_RNA) where: Base-Base interactions energy: -16.206 where: short stacking energy: -15.859 Base-Backbone interact. energy: -0.002 local terms energy: -30.128710 where: bonds (distance) C4'-P energy: -4.968 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.882 flat angles P-C4'-P energy: -5.687 tors. eta vs tors. theta energy: -2.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -41.180484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.180484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.180484 (E_RNA) where: Base-Base interactions energy: -15.100 where: short stacking energy: -15.011 Base-Backbone interact. energy: -0.000 local terms energy: -26.080850 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -6.283 flat angles C4'-P-C4' energy: -6.034 flat angles P-C4'-P energy: -1.009 tors. eta vs tors. theta energy: -4.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -83.020803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.020803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.020803 (E_RNA) where: Base-Base interactions energy: -45.298 where: short stacking energy: -28.743 Base-Backbone interact. energy: -0.004 local terms energy: -37.718508 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -7.573 flat angles C4'-P-C4' energy: -8.811 flat angles P-C4'-P energy: -5.500 tors. eta vs tors. theta energy: -7.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -58.796630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.796630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.796630 (E_RNA) where: Base-Base interactions energy: -25.793 where: short stacking energy: -19.106 Base-Backbone interact. energy: -0.001 local terms energy: -33.002373 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -6.328 flat angles P-C4'-P energy: -3.110 tors. eta vs tors. theta energy: -7.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -59.222452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.222452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.222452 (E_RNA) where: Base-Base interactions energy: -26.356 where: short stacking energy: -26.356 Base-Backbone interact. energy: -0.000 local terms energy: -32.866242 where: bonds (distance) C4'-P energy: -5.370 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -7.002 flat angles P-C4'-P energy: -5.462 tors. eta vs tors. theta energy: -8.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -63.548506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.548506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.548506 (E_RNA) where: Base-Base interactions energy: -28.523 where: short stacking energy: -23.675 Base-Backbone interact. energy: -0.004 local terms energy: -35.021875 where: bonds (distance) C4'-P energy: -6.967 bonds (distance) P-C4' energy: -7.727 flat angles C4'-P-C4' energy: -9.059 flat angles P-C4'-P energy: -3.951 tors. eta vs tors. theta energy: -7.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -45.288253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.288253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.288253 (E_RNA) where: Base-Base interactions energy: -18.392 where: short stacking energy: -18.792 Base-Backbone interact. energy: -0.194 local terms energy: -26.702831 where: bonds (distance) C4'-P energy: -7.037 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -5.451 flat angles P-C4'-P energy: -3.783 tors. eta vs tors. theta energy: -2.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -48.319044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.319044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.319044 (E_RNA) where: Base-Base interactions energy: -16.556 where: short stacking energy: -16.556 Base-Backbone interact. energy: -0.018 local terms energy: -31.745146 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.070 flat angles P-C4'-P energy: -6.067 tors. eta vs tors. theta energy: -1.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -49.636259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.636259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.636259 (E_RNA) where: Base-Base interactions energy: -22.180 where: short stacking energy: -22.180 Base-Backbone interact. energy: -0.000 local terms energy: -27.456401 where: bonds (distance) C4'-P energy: -6.755 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -7.243 flat angles P-C4'-P energy: -2.636 tors. eta vs tors. theta energy: -3.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -46.825135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.825135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.825135 (E_RNA) where: Base-Base interactions energy: -16.340 where: short stacking energy: -16.340 Base-Backbone interact. energy: -0.103 local terms energy: -30.382528 where: bonds (distance) C4'-P energy: -6.097 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -8.033 flat angles P-C4'-P energy: -6.618 tors. eta vs tors. theta energy: -2.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -48.852907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.852907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.852907 (E_RNA) where: Base-Base interactions energy: -18.072 where: short stacking energy: -18.072 Base-Backbone interact. energy: -0.000 local terms energy: -30.780941 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -8.550 flat angles P-C4'-P energy: -2.770 tors. eta vs tors. theta energy: -4.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -39.630261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.630261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.630261 (E_RNA) where: Base-Base interactions energy: -12.136 where: short stacking energy: -12.136 Base-Backbone interact. energy: -0.006 local terms energy: -27.488035 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -4.570 flat angles P-C4'-P energy: -4.548 tors. eta vs tors. theta energy: -1.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -86.386206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.386206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.386206 (E_RNA) where: Base-Base interactions energy: -50.349 where: short stacking energy: -29.159 Base-Backbone interact. energy: -0.003 local terms energy: -36.034477 where: bonds (distance) C4'-P energy: -6.922 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -8.449 flat angles P-C4'-P energy: -5.864 tors. eta vs tors. theta energy: -5.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -72.728915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.728915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.728915 (E_RNA) where: Base-Base interactions energy: -35.620 where: short stacking energy: -26.774 Base-Backbone interact. energy: -0.001 local terms energy: -37.108025 where: bonds (distance) C4'-P energy: -6.176 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -7.628 flat angles P-C4'-P energy: -4.608 tors. eta vs tors. theta energy: -10.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -59.228726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.228726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.228726 (E_RNA) where: Base-Base interactions energy: -24.749 where: short stacking energy: -24.749 Base-Backbone interact. energy: -0.000 local terms energy: -34.479892 where: bonds (distance) C4'-P energy: -7.283 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.759 flat angles P-C4'-P energy: -4.346 tors. eta vs tors. theta energy: -6.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -66.075708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.075708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.075708 (E_RNA) where: Base-Base interactions energy: -30.634 where: short stacking energy: -23.005 Base-Backbone interact. energy: -0.048 local terms energy: -35.393329 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -8.072 flat angles C4'-P-C4' energy: -7.456 flat angles P-C4'-P energy: -5.588 tors. eta vs tors. theta energy: -7.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -57.968449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.968449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.968449 (E_RNA) where: Base-Base interactions energy: -26.551 where: short stacking energy: -11.455 Base-Backbone interact. energy: -0.281 local terms energy: -31.136144 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.715 flat angles P-C4'-P energy: -5.411 tors. eta vs tors. theta energy: -4.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -56.495129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.495129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.495129 (E_RNA) where: Base-Base interactions energy: -23.791 where: short stacking energy: -23.791 Base-Backbone interact. energy: -0.042 local terms energy: -32.661411 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -4.545 flat angles P-C4'-P energy: -3.267 tors. eta vs tors. theta energy: -7.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -43.073347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.073347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.073347 (E_RNA) where: Base-Base interactions energy: -16.032 where: short stacking energy: -16.032 Base-Backbone interact. energy: -0.124 local terms energy: -26.917388 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -4.213 flat angles P-C4'-P energy: -7.303 tors. eta vs tors. theta energy: -1.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -51.445870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.445870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.445870 (E_RNA) where: Base-Base interactions energy: -23.389 where: short stacking energy: -23.389 Base-Backbone interact. energy: -0.000 local terms energy: -28.056495 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -4.125 flat angles C4'-P-C4' energy: -7.523 flat angles P-C4'-P energy: -2.163 tors. eta vs tors. theta energy: -6.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -35.207329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.207329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.207329 (E_RNA) where: Base-Base interactions energy: -15.011 where: short stacking energy: -15.011 Base-Backbone interact. energy: -0.071 local terms energy: -20.125602 where: bonds (distance) C4'-P energy: -6.851 bonds (distance) P-C4' energy: -4.877 flat angles C4'-P-C4' energy: -3.407 flat angles P-C4'-P energy: -4.007 tors. eta vs tors. theta energy: -0.983 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: 7 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -45.721550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.721550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.721550 (E_RNA) where: Base-Base interactions energy: -16.400 where: short stacking energy: -16.400 Base-Backbone interact. energy: -0.097 local terms energy: -29.224662 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -8.048 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -5.722 tors. eta vs tors. theta energy: -2.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -76.300641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.300641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.300641 (E_RNA) where: Base-Base interactions energy: -42.128 where: short stacking energy: -19.903 Base-Backbone interact. energy: 0.160 local terms energy: -34.333097 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -7.132 flat angles C4'-P-C4' energy: -8.146 flat angles P-C4'-P energy: -5.334 tors. eta vs tors. theta energy: -5.202 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: 4 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -69.157646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.157646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.157646 (E_RNA) where: Base-Base interactions energy: -34.149 where: short stacking energy: -34.149 Base-Backbone interact. energy: -0.000 local terms energy: -35.008205 where: bonds (distance) C4'-P energy: -5.183 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -9.464 flat angles P-C4'-P energy: -4.088 tors. eta vs tors. theta energy: -8.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -69.794568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.794568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.794568 (E_RNA) where: Base-Base interactions energy: -34.341 where: short stacking energy: -27.172 Base-Backbone interact. energy: -0.006 local terms energy: -35.447287 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.725 flat angles P-C4'-P energy: -5.554 tors. eta vs tors. theta energy: -4.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -54.285500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.285500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.285500 (E_RNA) where: Base-Base interactions energy: -22.613 where: short stacking energy: -22.613 Base-Backbone interact. energy: -0.003 local terms energy: -31.669101 where: bonds (distance) C4'-P energy: -6.302 bonds (distance) P-C4' energy: -7.668 flat angles C4'-P-C4' energy: -7.499 flat angles P-C4'-P energy: -4.746 tors. eta vs tors. theta energy: -5.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -49.804625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.804625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.804625 (E_RNA) where: Base-Base interactions energy: -20.384 where: short stacking energy: -20.384 Base-Backbone interact. energy: -0.016 local terms energy: -29.404625 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -5.837 flat angles P-C4'-P energy: -4.715 tors. eta vs tors. theta energy: -2.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -53.721831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.721831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.721831 (E_RNA) where: Base-Base interactions energy: -21.014 where: short stacking energy: -21.014 Base-Backbone interact. energy: -0.009 local terms energy: -32.698408 where: bonds (distance) C4'-P energy: -6.831 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.863 flat angles P-C4'-P energy: -5.048 tors. eta vs tors. theta energy: -4.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -46.599545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.599545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.599545 (E_RNA) where: Base-Base interactions energy: -19.856 where: short stacking energy: -19.856 Base-Backbone interact. energy: -0.086 local terms energy: -26.657518 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.454 flat angles P-C4'-P energy: -2.099 tors. eta vs tors. theta energy: -4.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -48.955462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.955462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.955462 (E_RNA) where: Base-Base interactions energy: -14.135 where: short stacking energy: -14.135 Base-Backbone interact. energy: -0.054 local terms energy: -34.766448 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -7.999 flat angles P-C4'-P energy: -5.137 tors. eta vs tors. theta energy: -4.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -43.526316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.526316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.526316 (E_RNA) where: Base-Base interactions energy: -13.212 where: short stacking energy: -13.212 Base-Backbone interact. energy: -0.000 local terms energy: -30.313981 where: bonds (distance) C4'-P energy: -5.415 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -7.270 flat angles P-C4'-P energy: -6.361 tors. eta vs tors. theta energy: -3.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -50.004102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.004102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.004102 (E_RNA) where: Base-Base interactions energy: -19.030 where: short stacking energy: -19.030 Base-Backbone interact. energy: -0.088 local terms energy: -30.886354 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -8.880 flat angles C4'-P-C4' energy: -4.019 flat angles P-C4'-P energy: -5.894 tors. eta vs tors. theta energy: -6.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -77.689162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.689162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.689162 (E_RNA) where: Base-Base interactions energy: -40.189 where: short stacking energy: -30.033 Base-Backbone interact. energy: -0.001 local terms energy: -37.499120 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -7.001 flat angles P-C4'-P energy: -5.671 tors. eta vs tors. theta energy: -8.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -63.225945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.225945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.225945 (E_RNA) where: Base-Base interactions energy: -28.804 where: short stacking energy: -28.804 Base-Backbone interact. energy: -0.000 local terms energy: -34.422042 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -7.311 flat angles C4'-P-C4' energy: -6.662 flat angles P-C4'-P energy: -5.880 tors. eta vs tors. theta energy: -6.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -57.520862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.520862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.520862 (E_RNA) where: Base-Base interactions energy: -26.860 where: short stacking energy: -25.098 Base-Backbone interact. energy: -0.099 local terms energy: -30.561156 where: bonds (distance) C4'-P energy: -5.101 bonds (distance) P-C4' energy: -7.076 flat angles C4'-P-C4' energy: -7.973 flat angles P-C4'-P energy: -6.306 tors. eta vs tors. theta energy: -4.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -52.740809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.740809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.740809 (E_RNA) where: Base-Base interactions energy: -22.368 where: short stacking energy: -18.033 Base-Backbone interact. energy: -0.098 local terms energy: -30.274669 where: bonds (distance) C4'-P energy: -6.583 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -7.319 flat angles P-C4'-P energy: -2.633 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: 5, replica: 2 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -65.603806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.603806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.603806 (E_RNA) where: Base-Base interactions energy: -30.151 where: short stacking energy: -30.151 Base-Backbone interact. energy: -0.001 local terms energy: -35.451556 where: bonds (distance) C4'-P energy: -6.719 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -6.804 flat angles P-C4'-P energy: -3.079 tors. eta vs tors. theta energy: -10.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -48.509808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.509808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.509808 (E_RNA) where: Base-Base interactions energy: -18.220 where: short stacking energy: -18.220 Base-Backbone interact. energy: -0.184 local terms energy: -30.105372 where: bonds (distance) C4'-P energy: -6.201 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -6.668 flat angles P-C4'-P energy: -4.702 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: 7, replica: 8 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -40.896763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.896763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.896763 (E_RNA) where: Base-Base interactions energy: -18.133 where: short stacking energy: -7.505 Base-Backbone interact. energy: -0.076 local terms energy: -22.687919 where: bonds (distance) C4'-P energy: -7.062 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -4.352 flat angles P-C4'-P energy: -3.472 tors. eta vs tors. theta energy: 0.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -42.876344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.876344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.876344 (E_RNA) where: Base-Base interactions energy: -18.628 where: short stacking energy: -7.628 Base-Backbone interact. energy: -0.039 local terms energy: -24.209279 where: bonds (distance) C4'-P energy: -5.517 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.684 flat angles P-C4'-P energy: -3.774 tors. eta vs tors. theta energy: 0.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -51.934013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.934013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.934013 (E_RNA) where: Base-Base interactions energy: -23.889 where: short stacking energy: -18.449 Base-Backbone interact. energy: -0.001 local terms energy: -28.043054 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -6.062 flat angles P-C4'-P energy: -5.719 tors. eta vs tors. theta energy: -0.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -45.640828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.640828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.640828 (E_RNA) where: Base-Base interactions energy: -15.617 where: short stacking energy: -15.617 Base-Backbone interact. energy: -0.088 local terms energy: -29.935341 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -8.068 flat angles P-C4'-P energy: -4.841 tors. eta vs tors. theta energy: -0.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -80.603945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.603945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.603945 (E_RNA) where: Base-Base interactions energy: -45.810 where: short stacking energy: -28.009 Base-Backbone interact. energy: 0.874 local terms energy: -35.668400 where: bonds (distance) C4'-P energy: -7.446 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -6.492 flat angles P-C4'-P energy: -6.817 tors. eta vs tors. theta energy: -6.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -65.764568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.764568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.764568 (E_RNA) where: Base-Base interactions energy: -30.062 where: short stacking energy: -30.062 Base-Backbone interact. energy: -0.000 local terms energy: -35.702514 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -8.120 flat angles P-C4'-P energy: -5.823 tors. eta vs tors. theta energy: -6.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -53.973498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.973498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.973498 (E_RNA) where: Base-Base interactions energy: -26.001 where: short stacking energy: -21.936 Base-Backbone interact. energy: -0.008 local terms energy: -27.964867 where: bonds (distance) C4'-P energy: -7.667 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -5.038 flat angles P-C4'-P energy: -6.486 tors. eta vs tors. theta energy: 0.804 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: 4 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -57.010691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.010691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.010691 (E_RNA) where: Base-Base interactions energy: -25.101 where: short stacking energy: -25.101 Base-Backbone interact. energy: -0.005 local terms energy: -31.905509 where: bonds (distance) C4'-P energy: -7.216 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -3.768 flat angles P-C4'-P energy: -6.694 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: 5, replica: 1 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -49.191874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.191874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.191874 (E_RNA) where: Base-Base interactions energy: -24.917 where: short stacking energy: -20.179 Base-Backbone interact. energy: -0.086 local terms energy: -24.188426 where: bonds (distance) C4'-P energy: -4.993 bonds (distance) P-C4' energy: -8.796 flat angles C4'-P-C4' energy: -6.514 flat angles P-C4'-P energy: -4.177 tors. eta vs tors. theta energy: 0.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -56.449651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.449651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.449651 (E_RNA) where: Base-Base interactions energy: -26.676 where: short stacking energy: -26.676 Base-Backbone interact. energy: -0.001 local terms energy: -29.772592 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.260 flat angles P-C4'-P energy: -0.579 tors. eta vs tors. theta energy: -4.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -44.940853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.940853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.940853 (E_RNA) where: Base-Base interactions energy: -17.307 where: short stacking energy: -13.285 Base-Backbone interact. energy: 0.378 local terms energy: -28.011754 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -8.516 flat angles C4'-P-C4' energy: -7.151 flat angles P-C4'-P energy: -3.663 tors. eta vs tors. theta energy: -2.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -48.215162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.215162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.215162 (E_RNA) where: Base-Base interactions energy: -16.160 where: short stacking energy: -15.107 Base-Backbone interact. energy: 0.567 local terms energy: -32.621950 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -5.609 flat angles P-C4'-P energy: -5.210 tors. eta vs tors. theta energy: -4.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -50.157965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.157965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.157965 (E_RNA) where: Base-Base interactions energy: -24.818 where: short stacking energy: -10.649 Base-Backbone interact. energy: -0.078 local terms energy: -25.262193 where: bonds (distance) C4'-P energy: -4.215 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -7.101 flat angles P-C4'-P energy: -2.347 tors. eta vs tors. theta energy: -2.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -47.178792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.178792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.178792 (E_RNA) where: Base-Base interactions energy: -15.433 where: short stacking energy: -15.433 Base-Backbone interact. energy: -0.000 local terms energy: -31.745869 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.101 flat angles P-C4'-P energy: -3.736 tors. eta vs tors. theta energy: -3.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -73.351913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.351913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.351913 (E_RNA) where: Base-Base interactions energy: -41.281 where: short stacking energy: -21.259 Base-Backbone interact. energy: -0.003 local terms energy: -32.067904 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -7.965 flat angles P-C4'-P energy: -5.650 tors. eta vs tors. theta energy: -2.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -69.798013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.798013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.798013 (E_RNA) where: Base-Base interactions energy: -37.525 where: short stacking energy: -27.943 Base-Backbone interact. energy: -0.001 local terms energy: -32.272159 where: bonds (distance) C4'-P energy: -7.846 bonds (distance) P-C4' energy: -5.427 flat angles C4'-P-C4' energy: -7.922 flat angles P-C4'-P energy: -5.050 tors. eta vs tors. theta energy: -6.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -60.490987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.490987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.490987 (E_RNA) where: Base-Base interactions energy: -24.146 where: short stacking energy: -23.952 Base-Backbone interact. energy: 0.708 local terms energy: -37.053157 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -8.586 flat angles P-C4'-P energy: -6.255 tors. eta vs tors. theta energy: -7.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -56.887305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.887305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.887305 (E_RNA) where: Base-Base interactions energy: -24.807 where: short stacking energy: -17.598 Base-Backbone interact. energy: -0.211 local terms energy: -31.869739 where: bonds (distance) C4'-P energy: -7.811 bonds (distance) P-C4' energy: -6.971 flat angles C4'-P-C4' energy: -7.926 flat angles P-C4'-P energy: -6.275 tors. eta vs tors. theta energy: -2.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -57.137794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.137794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.137794 (E_RNA) where: Base-Base interactions energy: -28.917 where: short stacking energy: -17.493 Base-Backbone interact. energy: -0.002 local terms energy: -28.218869 where: bonds (distance) C4'-P energy: -6.267 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -4.561 flat angles P-C4'-P energy: -5.363 tors. eta vs tors. theta energy: -2.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -45.798469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.798469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.798469 (E_RNA) where: Base-Base interactions energy: -20.765 where: short stacking energy: -20.765 Base-Backbone interact. energy: -0.011 local terms energy: -25.022525 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.108 flat angles P-C4'-P energy: -3.244 tors. eta vs tors. theta energy: -0.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -58.040401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.040401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.040401 (E_RNA) where: Base-Base interactions energy: -25.942 where: short stacking energy: -20.482 Base-Backbone interact. energy: 0.399 local terms energy: -32.497623 where: bonds (distance) C4'-P energy: -6.814 bonds (distance) P-C4' energy: -6.571 flat angles C4'-P-C4' energy: -8.865 flat angles P-C4'-P energy: -4.746 tors. eta vs tors. theta energy: -5.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -50.661513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.661513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.661513 (E_RNA) where: Base-Base interactions energy: -19.199 where: short stacking energy: -19.018 Base-Backbone interact. energy: -0.028 local terms energy: -31.434922 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -5.543 flat angles C4'-P-C4' energy: -7.832 flat angles P-C4'-P energy: -7.205 tors. eta vs tors. theta energy: -2.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -47.164739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.164739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.164739 (E_RNA) where: Base-Base interactions energy: -21.428 where: short stacking energy: -14.615 Base-Backbone interact. energy: 0.954 local terms energy: -26.690294 where: bonds (distance) C4'-P energy: -6.301 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -5.547 flat angles P-C4'-P energy: -4.433 tors. eta vs tors. theta energy: -2.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -38.036289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.036289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.036289 (E_RNA) where: Base-Base interactions energy: -12.157 where: short stacking energy: -12.126 Base-Backbone interact. energy: 0.038 local terms energy: -25.917031 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -2.291 flat angles P-C4'-P energy: -6.410 tors. eta vs tors. theta energy: -1.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -70.631272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.631272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.631272 (E_RNA) where: Base-Base interactions energy: -30.225 where: short stacking energy: -30.225 Base-Backbone interact. energy: -0.000 local terms energy: -40.406350 where: bonds (distance) C4'-P energy: -5.661 bonds (distance) P-C4' energy: -8.619 flat angles C4'-P-C4' energy: -8.637 flat angles P-C4'-P energy: -6.242 tors. eta vs tors. theta energy: -11.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -55.759714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.759714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.759714 (E_RNA) where: Base-Base interactions energy: -23.881 where: short stacking energy: -23.881 Base-Backbone interact. energy: -0.013 local terms energy: -31.865723 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -5.744 flat angles C4'-P-C4' energy: -7.823 flat angles P-C4'-P energy: -4.980 tors. eta vs tors. theta energy: -5.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -69.998774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.998774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.998774 (E_RNA) where: Base-Base interactions energy: -35.872 where: short stacking energy: -23.956 Base-Backbone interact. energy: -0.010 local terms energy: -34.116377 where: bonds (distance) C4'-P energy: -5.493 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -9.216 flat angles P-C4'-P energy: -4.614 tors. eta vs tors. theta energy: -5.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -63.331895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.331895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.331895 (E_RNA) where: Base-Base interactions energy: -29.116 where: short stacking energy: -29.116 Base-Backbone interact. energy: -0.002 local terms energy: -34.213939 where: bonds (distance) C4'-P energy: -6.032 bonds (distance) P-C4' energy: -7.026 flat angles C4'-P-C4' energy: -9.460 flat angles P-C4'-P energy: -5.542 tors. eta vs tors. theta energy: -6.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -53.361786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.361786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.361786 (E_RNA) where: Base-Base interactions energy: -18.445 where: short stacking energy: -18.445 Base-Backbone interact. energy: -0.000 local terms energy: -34.916906 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.052 flat angles P-C4'-P energy: -4.167 tors. eta vs tors. theta energy: -5.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -47.748297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.748297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.748297 (E_RNA) where: Base-Base interactions energy: -19.000 where: short stacking energy: -14.184 Base-Backbone interact. energy: -0.194 local terms energy: -28.554905 where: bonds (distance) C4'-P energy: -8.105 bonds (distance) P-C4' energy: -7.030 flat angles C4'-P-C4' energy: -8.878 flat angles P-C4'-P energy: -3.945 tors. eta vs tors. theta energy: -0.597 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: 6 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -49.752850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.752850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.752850 (E_RNA) where: Base-Base interactions energy: -22.652 where: short stacking energy: -18.777 Base-Backbone interact. energy: -0.041 local terms energy: -27.060380 where: bonds (distance) C4'-P energy: -7.017 bonds (distance) P-C4' energy: -4.723 flat angles C4'-P-C4' energy: -6.159 flat angles P-C4'-P energy: -6.322 tors. eta vs tors. theta energy: -2.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -45.866702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.866702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.866702 (E_RNA) where: Base-Base interactions energy: -16.685 where: short stacking energy: -16.685 Base-Backbone interact. energy: -0.174 local terms energy: -29.008036 where: bonds (distance) C4'-P energy: -6.603 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -6.801 flat angles P-C4'-P energy: -4.650 tors. eta vs tors. theta energy: -3.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -42.073528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.073528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.073528 (E_RNA) where: Base-Base interactions energy: -14.945 where: short stacking energy: -14.945 Base-Backbone interact. energy: -0.040 local terms energy: -27.088307 where: bonds (distance) C4'-P energy: -6.813 bonds (distance) P-C4' energy: -6.977 flat angles C4'-P-C4' energy: -8.172 flat angles P-C4'-P energy: -2.096 tors. eta vs tors. theta energy: -3.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -46.201767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.201767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.201767 (E_RNA) where: Base-Base interactions energy: -13.580 where: short stacking energy: -13.580 Base-Backbone interact. energy: -0.130 local terms energy: -32.491589 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.072 flat angles P-C4'-P energy: -5.540 tors. eta vs tors. theta energy: -3.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -61.891779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.891779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.891779 (E_RNA) where: Base-Base interactions energy: -24.701 where: short stacking energy: -24.701 Base-Backbone interact. energy: -0.000 local terms energy: -37.191145 where: bonds (distance) C4'-P energy: -7.124 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -9.072 flat angles P-C4'-P energy: -3.552 tors. eta vs tors. theta energy: -8.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -62.903863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.903863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.903863 (E_RNA) where: Base-Base interactions energy: -26.135 where: short stacking energy: -26.135 Base-Backbone interact. energy: -0.143 local terms energy: -36.625897 where: bonds (distance) C4'-P energy: -6.612 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -9.041 flat angles P-C4'-P energy: -4.789 tors. eta vs tors. theta energy: -7.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -55.328687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.328687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.328687 (E_RNA) where: Base-Base interactions energy: -21.698 where: short stacking energy: -21.491 Base-Backbone interact. energy: -0.014 local terms energy: -33.617139 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -7.447 flat angles P-C4'-P energy: -3.782 tors. eta vs tors. theta energy: -6.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -49.339818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.339818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.339818 (E_RNA) where: Base-Base interactions energy: -18.382 where: short stacking energy: -18.382 Base-Backbone interact. energy: -0.000 local terms energy: -30.958172 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.139 flat angles P-C4'-P energy: -5.073 tors. eta vs tors. theta energy: -4.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -59.159641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.159641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.159641 (E_RNA) where: Base-Base interactions energy: -29.459 where: short stacking energy: -19.363 Base-Backbone interact. energy: -0.001 local terms energy: -29.698938 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -5.502 flat angles P-C4'-P energy: -1.616 tors. eta vs tors. theta energy: -6.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -47.713474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.713474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.713474 (E_RNA) where: Base-Base interactions energy: -15.316 where: short stacking energy: -15.316 Base-Backbone interact. energy: -0.136 local terms energy: -32.261572 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -5.806 flat angles P-C4'-P energy: -6.290 tors. eta vs tors. theta energy: -3.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -42.916276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.916276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.916276 (E_RNA) where: Base-Base interactions energy: -13.628 where: short stacking energy: -13.287 Base-Backbone interact. energy: -0.626 local terms energy: -28.662652 where: bonds (distance) C4'-P energy: -6.256 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -8.359 flat angles P-C4'-P energy: -3.772 tors. eta vs tors. theta energy: -1.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -50.758081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.758081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.758081 (E_RNA) where: Base-Base interactions energy: -17.793 where: short stacking energy: -15.769 Base-Backbone interact. energy: -0.000 local terms energy: -32.965421 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.864 flat angles C4'-P-C4' energy: -8.351 flat angles P-C4'-P energy: -3.634 tors. eta vs tors. theta energy: -6.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -46.504138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.504138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.504138 (E_RNA) where: Base-Base interactions energy: -19.334 where: short stacking energy: -18.229 Base-Backbone interact. energy: -0.087 local terms energy: -27.082828 where: bonds (distance) C4'-P energy: -6.239 bonds (distance) P-C4' energy: -9.302 flat angles C4'-P-C4' energy: -7.343 flat angles P-C4'-P energy: -3.524 tors. eta vs tors. theta energy: -0.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -41.693163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.693163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.693163 (E_RNA) where: Base-Base interactions energy: -13.914 where: short stacking energy: -13.914 Base-Backbone interact. energy: -0.001 local terms energy: -27.777987 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -7.794 flat angles P-C4'-P energy: -2.497 tors. eta vs tors. theta energy: -2.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -67.120464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.120464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.120464 (E_RNA) where: Base-Base interactions energy: -28.431 where: short stacking energy: -28.431 Base-Backbone interact. energy: -0.000 local terms energy: -38.689335 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -8.798 flat angles P-C4'-P energy: -5.733 tors. eta vs tors. theta energy: -7.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -62.076778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.076778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.076778 (E_RNA) where: Base-Base interactions energy: -28.097 where: short stacking energy: -27.207 Base-Backbone interact. energy: 0.860 local terms energy: -34.839709 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -8.377 flat angles P-C4'-P energy: -6.013 tors. eta vs tors. theta energy: -6.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -62.719678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.719678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.719678 (E_RNA) where: Base-Base interactions energy: -27.671 where: short stacking energy: -27.671 Base-Backbone interact. energy: -0.001 local terms energy: -35.047569 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -6.576 flat angles C4'-P-C4' energy: -8.601 flat angles P-C4'-P energy: -5.087 tors. eta vs tors. theta energy: -6.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -53.442207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.442207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.442207 (E_RNA) where: Base-Base interactions energy: -23.152 where: short stacking energy: -23.152 Base-Backbone interact. energy: -0.001 local terms energy: -30.288746 where: bonds (distance) C4'-P energy: -5.962 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -7.808 flat angles P-C4'-P energy: -4.172 tors. eta vs tors. theta energy: -2.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -46.810198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.810198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.810198 (E_RNA) where: Base-Base interactions energy: -17.999 where: short stacking energy: -17.999 Base-Backbone interact. energy: -0.022 local terms energy: -28.789040 where: bonds (distance) C4'-P energy: -4.339 bonds (distance) P-C4' energy: -5.695 flat angles C4'-P-C4' energy: -8.646 flat angles P-C4'-P energy: -4.523 tors. eta vs tors. theta energy: -5.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -51.897986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.897986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.897986 (E_RNA) where: Base-Base interactions energy: -21.552 where: short stacking energy: -20.843 Base-Backbone interact. energy: -0.067 local terms energy: -30.279256 where: bonds (distance) C4'-P energy: -6.652 bonds (distance) P-C4' energy: -7.143 flat angles C4'-P-C4' energy: -8.076 flat angles P-C4'-P energy: -4.878 tors. eta vs tors. theta energy: -3.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -41.096539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.096539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.096539 (E_RNA) where: Base-Base interactions energy: -12.736 where: short stacking energy: -12.293 Base-Backbone interact. energy: -0.083 local terms energy: -28.277367 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.971 flat angles P-C4'-P energy: -4.624 tors. eta vs tors. theta energy: -0.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -41.292041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.292041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.292041 (E_RNA) where: Base-Base interactions energy: -13.159 where: short stacking energy: -13.159 Base-Backbone interact. energy: -0.101 local terms energy: -28.031453 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -6.743 flat angles P-C4'-P energy: -4.910 tors. eta vs tors. theta energy: -0.214 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: 8 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -39.172042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.172042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.172042 (E_RNA) where: Base-Base interactions energy: -15.975 where: short stacking energy: -15.597 Base-Backbone interact. energy: -0.108 local terms energy: -23.088343 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -4.830 flat angles C4'-P-C4' energy: -4.299 flat angles P-C4'-P energy: -3.949 tors. eta vs tors. theta energy: -2.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -44.267808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.267808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.267808 (E_RNA) where: Base-Base interactions energy: -20.500 where: short stacking energy: -20.166 Base-Backbone interact. energy: -0.010 local terms energy: -23.758137 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -1.903 flat angles P-C4'-P energy: -3.051 tors. eta vs tors. theta energy: -4.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -63.880742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.880742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.880742 (E_RNA) where: Base-Base interactions energy: -27.417 where: short stacking energy: -27.417 Base-Backbone interact. energy: -0.000 local terms energy: -36.463739 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -7.407 flat angles C4'-P-C4' energy: -9.041 flat angles P-C4'-P energy: -6.001 tors. eta vs tors. theta energy: -6.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -60.106693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.106693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.106693 (E_RNA) where: Base-Base interactions energy: -24.350 where: short stacking energy: -24.350 Base-Backbone interact. energy: -0.063 local terms energy: -35.694171 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -9.098 flat angles C4'-P-C4' energy: -7.361 flat angles P-C4'-P energy: -6.100 tors. eta vs tors. theta energy: -4.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -56.200393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.200393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.200393 (E_RNA) where: Base-Base interactions energy: -27.485 where: short stacking energy: -6.679 Base-Backbone interact. energy: -0.204 local terms energy: -28.510564 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.578 flat angles P-C4'-P energy: -3.851 tors. eta vs tors. theta energy: 0.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -44.884694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.884694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.884694 (E_RNA) where: Base-Base interactions energy: -12.926 where: short stacking energy: -12.926 Base-Backbone interact. energy: -0.186 local terms energy: -31.772816 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.648 flat angles P-C4'-P energy: -5.828 tors. eta vs tors. theta energy: -1.467 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: 7 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -51.714005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.714005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.714005 (E_RNA) where: Base-Base interactions energy: -20.630 where: short stacking energy: -17.466 Base-Backbone interact. energy: -0.001 local terms energy: -31.082954 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -6.480 flat angles C4'-P-C4' energy: -8.516 flat angles P-C4'-P energy: -5.936 tors. eta vs tors. theta energy: -4.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -48.213164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.213164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.213164 (E_RNA) where: Base-Base interactions energy: -20.708 where: short stacking energy: -19.589 Base-Backbone interact. energy: -0.003 local terms energy: -27.502355 where: bonds (distance) C4'-P energy: -5.683 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.244 flat angles P-C4'-P energy: -4.127 tors. eta vs tors. theta energy: -1.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -58.178588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.178588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.178588 (E_RNA) where: Base-Base interactions energy: -24.124 where: short stacking energy: -24.124 Base-Backbone interact. energy: -0.001 local terms energy: -34.053625 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.291 flat angles P-C4'-P energy: -5.248 tors. eta vs tors. theta energy: -5.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -46.804708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.804708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.804708 (E_RNA) where: Base-Base interactions energy: -25.188 where: short stacking energy: -18.114 Base-Backbone interact. energy: -0.045 local terms energy: -21.571604 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -7.376 flat angles C4'-P-C4' energy: -5.154 flat angles P-C4'-P energy: -2.605 tors. eta vs tors. theta energy: 0.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -41.979045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.979045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.979045 (E_RNA) where: Base-Base interactions energy: -11.456 where: short stacking energy: -11.152 Base-Backbone interact. energy: -0.439 local terms energy: -30.084478 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.236 flat angles P-C4'-P energy: -5.131 tors. eta vs tors. theta energy: -1.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -45.569633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.569633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.569633 (E_RNA) where: Base-Base interactions energy: -19.711 where: short stacking energy: -18.033 Base-Backbone interact. energy: -0.214 local terms energy: -25.644542 where: bonds (distance) C4'-P energy: -8.598 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -2.475 flat angles P-C4'-P energy: -5.353 tors. eta vs tors. theta energy: -2.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -71.703342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.703342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.703342 (E_RNA) where: Base-Base interactions energy: -40.663 where: short stacking energy: -22.877 Base-Backbone interact. energy: -0.001 local terms energy: -31.038908 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -9.306 flat angles C4'-P-C4' energy: -6.253 flat angles P-C4'-P energy: -1.255 tors. eta vs tors. theta energy: -5.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -59.938554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.938554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.938554 (E_RNA) where: Base-Base interactions energy: -26.566 where: short stacking energy: -26.566 Base-Backbone interact. energy: -0.000 local terms energy: -33.372587 where: bonds (distance) C4'-P energy: -6.925 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.226 flat angles P-C4'-P energy: -3.665 tors. eta vs tors. theta energy: -6.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -65.154715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.154715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.154715 (E_RNA) where: Base-Base interactions energy: -26.938 where: short stacking energy: -26.938 Base-Backbone interact. energy: -0.004 local terms energy: -38.212582 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -6.402 flat angles P-C4'-P energy: -6.201 tors. eta vs tors. theta energy: -8.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -48.774546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.774546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.774546 (E_RNA) where: Base-Base interactions energy: -20.156 where: short stacking energy: -19.992 Base-Backbone interact. energy: -0.000 local terms energy: -28.618209 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.610 flat angles P-C4'-P energy: -1.920 tors. eta vs tors. theta energy: -4.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -56.246763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.246763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.246763 (E_RNA) where: Base-Base interactions energy: -26.119 where: short stacking energy: -26.119 Base-Backbone interact. energy: -0.000 local terms energy: -30.127473 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -6.260 flat angles P-C4'-P energy: -3.201 tors. eta vs tors. theta energy: -5.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -51.104815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.104815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.104815 (E_RNA) where: Base-Base interactions energy: -23.798 where: short stacking energy: -23.798 Base-Backbone interact. energy: -0.010 local terms energy: -27.297319 where: bonds (distance) C4'-P energy: -6.806 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -7.622 flat angles P-C4'-P energy: -0.852 tors. eta vs tors. theta energy: -4.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -48.588433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.588433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.588433 (E_RNA) where: Base-Base interactions energy: -21.674 where: short stacking energy: -6.645 Base-Backbone interact. energy: -0.088 local terms energy: -26.826605 where: bonds (distance) C4'-P energy: -3.832 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -7.993 flat angles P-C4'-P energy: -5.143 tors. eta vs tors. theta energy: -0.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -46.312221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.312221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.312221 (E_RNA) where: Base-Base interactions energy: -15.664 where: short stacking energy: -15.664 Base-Backbone interact. energy: -0.056 local terms energy: -30.592366 where: bonds (distance) C4'-P energy: -8.896 bonds (distance) P-C4' energy: -7.168 flat angles C4'-P-C4' energy: -4.492 flat angles P-C4'-P energy: -5.823 tors. eta vs tors. theta energy: -4.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -39.981911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.981911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.981911 (E_RNA) where: Base-Base interactions energy: -15.883 where: short stacking energy: -15.883 Base-Backbone interact. energy: -0.006 local terms energy: -24.093512 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.543 flat angles P-C4'-P energy: -4.273 tors. eta vs tors. theta energy: 1.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -41.621372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.621372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.621372 (E_RNA) where: Base-Base interactions energy: -11.035 where: short stacking energy: -11.035 Base-Backbone interact. energy: -0.023 local terms energy: -30.563576 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.851 flat angles P-C4'-P energy: -3.550 tors. eta vs tors. theta energy: -2.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -69.432414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.432414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.432414 (E_RNA) where: Base-Base interactions energy: -33.008 where: short stacking energy: -33.008 Base-Backbone interact. energy: -0.000 local terms energy: -36.424761 where: bonds (distance) C4'-P energy: -6.719 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -6.304 flat angles P-C4'-P energy: -5.200 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: 2, replica: 5 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -58.748057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.748057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.748057 (E_RNA) where: Base-Base interactions energy: -25.329 where: short stacking energy: -25.329 Base-Backbone interact. energy: -0.000 local terms energy: -33.418928 where: bonds (distance) C4'-P energy: -6.975 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -7.526 flat angles P-C4'-P energy: -3.407 tors. eta vs tors. theta energy: -6.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -57.826562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.826562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.826562 (E_RNA) where: Base-Base interactions energy: -21.243 where: short stacking energy: -17.988 Base-Backbone interact. energy: -0.104 local terms energy: -36.479387 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -6.470 flat angles P-C4'-P energy: -7.335 tors. eta vs tors. theta energy: -5.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -56.560953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.560953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.560953 (E_RNA) where: Base-Base interactions energy: -22.739 where: short stacking energy: -22.739 Base-Backbone interact. energy: -0.000 local terms energy: -33.821912 where: bonds (distance) C4'-P energy: -8.006 bonds (distance) P-C4' energy: -8.514 flat angles C4'-P-C4' energy: -3.520 flat angles P-C4'-P energy: -5.267 tors. eta vs tors. theta energy: -8.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -61.567108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.567108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.567108 (E_RNA) where: Base-Base interactions energy: -32.101 where: short stacking energy: -24.074 Base-Backbone interact. energy: -0.896 local terms energy: -28.569583 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -8.323 flat angles P-C4'-P energy: -2.570 tors. eta vs tors. theta energy: -3.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -52.592804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.592804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.592804 (E_RNA) where: Base-Base interactions energy: -20.972 where: short stacking energy: -20.972 Base-Backbone interact. energy: -0.025 local terms energy: -31.595794 where: bonds (distance) C4'-P energy: -7.336 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.275 flat angles P-C4'-P energy: -2.936 tors. eta vs tors. theta energy: -4.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -50.773964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.773964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.773964 (E_RNA) where: Base-Base interactions energy: -19.063 where: short stacking energy: -8.922 Base-Backbone interact. energy: -0.021 local terms energy: -31.689333 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.202 flat angles P-C4'-P energy: -3.778 tors. eta vs tors. theta energy: -2.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -50.058850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.058850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.058850 (E_RNA) where: Base-Base interactions energy: -22.812 where: short stacking energy: -20.380 Base-Backbone interact. energy: -0.036 local terms energy: -27.211236 where: bonds (distance) C4'-P energy: -3.746 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.120 flat angles P-C4'-P energy: -7.014 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: 9, replica: 8 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -65.473121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.473121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.473121 (E_RNA) where: Base-Base interactions energy: -31.212 where: short stacking energy: -18.043 Base-Backbone interact. energy: -0.011 local terms energy: -34.250127 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -6.383 flat angles P-C4'-P energy: -2.920 tors. eta vs tors. theta energy: -9.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -43.017437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.017437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.017437 (E_RNA) where: Base-Base interactions energy: -14.106 where: short stacking energy: -14.106 Base-Backbone interact. energy: -0.018 local terms energy: -28.893725 where: bonds (distance) C4'-P energy: -4.272 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -8.516 flat angles P-C4'-P energy: -6.525 tors. eta vs tors. theta energy: -1.043 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: 5 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -63.524008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.524008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.524008 (E_RNA) where: Base-Base interactions energy: -27.098 where: short stacking energy: -27.098 Base-Backbone interact. energy: -0.024 local terms energy: -36.402557 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -7.288 flat angles C4'-P-C4' energy: -7.228 flat angles P-C4'-P energy: -7.027 tors. eta vs tors. theta energy: -7.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -60.097432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.097432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.097432 (E_RNA) where: Base-Base interactions energy: -22.689 where: short stacking energy: -22.689 Base-Backbone interact. energy: -0.027 local terms energy: -37.381776 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -7.016 flat angles P-C4'-P energy: -5.898 tors. eta vs tors. theta energy: -7.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -58.782457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.782457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.782457 (E_RNA) where: Base-Base interactions energy: -27.134 where: short stacking energy: -27.134 Base-Backbone interact. energy: -0.000 local terms energy: -31.648502 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -5.981 flat angles P-C4'-P energy: -4.733 tors. eta vs tors. theta energy: -6.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -60.021321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.021321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.021321 (E_RNA) where: Base-Base interactions energy: -27.867 where: short stacking energy: -27.213 Base-Backbone interact. energy: -0.000 local terms energy: -32.154570 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -7.689 flat angles C4'-P-C4' energy: -8.315 flat angles P-C4'-P energy: -2.035 tors. eta vs tors. theta energy: -7.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -54.331039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.331039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.331039 (E_RNA) where: Base-Base interactions energy: -24.067 where: short stacking energy: -24.067 Base-Backbone interact. energy: -0.036 local terms energy: -30.227599 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -5.694 flat angles C4'-P-C4' energy: -7.599 flat angles P-C4'-P energy: -5.665 tors. eta vs tors. theta energy: -3.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -41.989632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.989632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.989632 (E_RNA) where: Base-Base interactions energy: -15.844 where: short stacking energy: -14.513 Base-Backbone interact. energy: -0.407 local terms energy: -25.738953 where: bonds (distance) C4'-P energy: -7.278 bonds (distance) P-C4' energy: -7.128 flat angles C4'-P-C4' energy: -4.337 flat angles P-C4'-P energy: -4.623 tors. eta vs tors. theta energy: -2.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -53.969933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.969933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.969933 (E_RNA) where: Base-Base interactions energy: -24.507 where: short stacking energy: -17.335 Base-Backbone interact. energy: -0.002 local terms energy: -29.461602 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -5.380 flat angles P-C4'-P energy: -3.486 tors. eta vs tors. theta energy: -3.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -43.264588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.264588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.264588 (E_RNA) where: Base-Base interactions energy: -14.735 where: short stacking energy: -10.589 Base-Backbone interact. energy: -0.004 local terms energy: -28.525932 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -7.079 flat angles P-C4'-P energy: -5.905 tors. eta vs tors. theta energy: -1.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -38.150749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.150749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.150749 (E_RNA) where: Base-Base interactions energy: -11.061 where: short stacking energy: -11.061 Base-Backbone interact. energy: -0.088 local terms energy: -27.002330 where: bonds (distance) C4'-P energy: -7.112 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.045 flat angles P-C4'-P energy: -3.209 tors. eta vs tors. theta energy: -3.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -47.583532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.583532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.583532 (E_RNA) where: Base-Base interactions energy: -15.458 where: short stacking energy: -15.458 Base-Backbone interact. energy: -0.001 local terms energy: -32.124394 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -7.340 flat angles C4'-P-C4' energy: -9.548 flat angles P-C4'-P energy: -3.235 tors. eta vs tors. theta energy: -4.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -72.663090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.663090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.663090 (E_RNA) where: Base-Base interactions energy: -33.976 where: short stacking energy: -33.976 Base-Backbone interact. energy: -0.000 local terms energy: -38.686953 where: bonds (distance) C4'-P energy: -6.015 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.713 flat angles P-C4'-P energy: -6.095 tors. eta vs tors. theta energy: -9.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -67.352908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.352908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.352908 (E_RNA) where: Base-Base interactions energy: -27.158 where: short stacking energy: -27.158 Base-Backbone interact. energy: -0.000 local terms energy: -40.194409 where: bonds (distance) C4'-P energy: -6.623 bonds (distance) P-C4' energy: -7.913 flat angles C4'-P-C4' energy: -7.234 flat angles P-C4'-P energy: -6.981 tors. eta vs tors. theta energy: -11.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -52.877064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.877064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.877064 (E_RNA) where: Base-Base interactions energy: -19.825 where: short stacking energy: -19.825 Base-Backbone interact. energy: -0.059 local terms energy: -32.993735 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -7.572 flat angles C4'-P-C4' energy: -8.786 flat angles P-C4'-P energy: -3.228 tors. eta vs tors. theta energy: -5.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -51.739153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.739153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.739153 (E_RNA) where: Base-Base interactions energy: -24.732 where: short stacking energy: -24.633 Base-Backbone interact. energy: -0.018 local terms energy: -26.989645 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.971 flat angles C4'-P-C4' energy: -6.294 flat angles P-C4'-P energy: -4.102 tors. eta vs tors. theta energy: -3.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -57.738113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.738113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.738113 (E_RNA) where: Base-Base interactions energy: -29.959 where: short stacking energy: -18.578 Base-Backbone interact. energy: -0.020 local terms energy: -27.758545 where: bonds (distance) C4'-P energy: -6.292 bonds (distance) P-C4' energy: -7.265 flat angles C4'-P-C4' energy: -7.473 flat angles P-C4'-P energy: -3.033 tors. eta vs tors. theta energy: -3.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -47.776313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.776313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.776313 (E_RNA) where: Base-Base interactions energy: -18.478 where: short stacking energy: -17.275 Base-Backbone interact. energy: -0.041 local terms energy: -29.257084 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -6.164 flat angles P-C4'-P energy: -5.765 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: 7, replica: 2 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -47.606370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.606370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.606370 (E_RNA) where: Base-Base interactions energy: -15.569 where: short stacking energy: -15.260 Base-Backbone interact. energy: -0.035 local terms energy: -32.002364 where: bonds (distance) C4'-P energy: -7.940 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -6.731 flat angles P-C4'-P energy: -5.816 tors. eta vs tors. theta energy: -3.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -43.347310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.347310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.347310 (E_RNA) where: Base-Base interactions energy: -13.767 where: short stacking energy: -12.808 Base-Backbone interact. energy: -0.018 local terms energy: -29.562163 where: bonds (distance) C4'-P energy: -7.969 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.897 flat angles P-C4'-P energy: -5.830 tors. eta vs tors. theta energy: -2.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -42.249653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.249653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.249653 (E_RNA) where: Base-Base interactions energy: -14.035 where: short stacking energy: -14.035 Base-Backbone interact. energy: -0.001 local terms energy: -28.214109 where: bonds (distance) C4'-P energy: -6.648 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -4.193 flat angles P-C4'-P energy: -4.154 tors. eta vs tors. theta energy: -6.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -43.759184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.759184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.759184 (E_RNA) where: Base-Base interactions energy: -15.523 where: short stacking energy: -14.963 Base-Backbone interact. energy: -0.003 local terms energy: -28.233275 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -4.322 flat angles P-C4'-P energy: -4.672 tors. eta vs tors. theta energy: -3.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -69.803035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.803035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.803035 (E_RNA) where: Base-Base interactions energy: -36.140 where: short stacking energy: -21.102 Base-Backbone interact. energy: -0.012 local terms energy: -33.651017 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -7.020 flat angles C4'-P-C4' energy: -8.642 flat angles P-C4'-P energy: -4.281 tors. eta vs tors. theta energy: -5.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -69.647744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.647744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.647744 (E_RNA) where: Base-Base interactions energy: -33.352 where: short stacking energy: -25.056 Base-Backbone interact. energy: -0.338 local terms energy: -35.957911 where: bonds (distance) C4'-P energy: -4.860 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.382 flat angles P-C4'-P energy: -5.863 tors. eta vs tors. theta energy: -7.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -65.743566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.743566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.743566 (E_RNA) where: Base-Base interactions energy: -30.071 where: short stacking energy: -30.071 Base-Backbone interact. energy: -0.002 local terms energy: -35.671059 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -8.806 flat angles C4'-P-C4' energy: -6.593 flat angles P-C4'-P energy: -5.900 tors. eta vs tors. theta energy: -7.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -60.909553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.909553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.909553 (E_RNA) where: Base-Base interactions energy: -30.084 where: short stacking energy: -30.084 Base-Backbone interact. energy: -0.000 local terms energy: -30.825197 where: bonds (distance) C4'-P energy: -4.728 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -8.759 flat angles P-C4'-P energy: -4.703 tors. eta vs tors. theta energy: -4.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -65.517251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.517251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.517251 (E_RNA) where: Base-Base interactions energy: -35.033 where: short stacking energy: -21.336 Base-Backbone interact. energy: -0.085 local terms energy: -30.399863 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -8.643 flat angles P-C4'-P energy: -1.047 tors. eta vs tors. theta energy: -5.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -48.666663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.666663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.666663 (E_RNA) where: Base-Base interactions energy: -19.261 where: short stacking energy: -19.261 Base-Backbone interact. energy: -0.004 local terms energy: -29.401684 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -7.885 flat angles C4'-P-C4' energy: -5.726 flat angles P-C4'-P energy: -5.415 tors. eta vs tors. theta energy: -5.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -45.949318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.949318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.949318 (E_RNA) where: Base-Base interactions energy: -11.954 where: short stacking energy: -11.954 Base-Backbone interact. energy: -0.020 local terms energy: -33.975546 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.232 flat angles P-C4'-P energy: -3.587 tors. eta vs tors. theta energy: -4.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -46.189584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.189584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.189584 (E_RNA) where: Base-Base interactions energy: -19.182 where: short stacking energy: -19.182 Base-Backbone interact. energy: 0.314 local terms energy: -27.322262 where: bonds (distance) C4'-P energy: -6.313 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -7.468 flat angles P-C4'-P energy: -3.723 tors. eta vs tors. theta energy: -1.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -42.694548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.694548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.694548 (E_RNA) where: Base-Base interactions energy: -15.571 where: short stacking energy: -15.571 Base-Backbone interact. energy: -0.002 local terms energy: -27.121762 where: bonds (distance) C4'-P energy: -6.798 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.932 flat angles P-C4'-P energy: -3.453 tors. eta vs tors. theta energy: -0.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -45.857160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.857160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.857160 (E_RNA) where: Base-Base interactions energy: -19.937 where: short stacking energy: -19.937 Base-Backbone interact. energy: -0.009 local terms energy: -25.911717 where: bonds (distance) C4'-P energy: -3.752 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -6.279 flat angles P-C4'-P energy: -3.705 tors. eta vs tors. theta energy: -6.865 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: 10 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -61.007491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.007491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.007491 (E_RNA) where: Base-Base interactions energy: -25.962 where: short stacking energy: -25.962 Base-Backbone interact. energy: -0.576 local terms energy: -34.469515 where: bonds (distance) C4'-P energy: -6.805 bonds (distance) P-C4' energy: -7.234 flat angles C4'-P-C4' energy: -9.064 flat angles P-C4'-P energy: -5.393 tors. eta vs tors. theta energy: -5.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -57.037888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.037888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.037888 (E_RNA) where: Base-Base interactions energy: -24.136 where: short stacking energy: -24.136 Base-Backbone interact. energy: -0.000 local terms energy: -32.901478 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -7.715 flat angles P-C4'-P energy: -5.883 tors. eta vs tors. theta energy: -4.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -55.551983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.551983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.551983 (E_RNA) where: Base-Base interactions energy: -24.452 where: short stacking energy: -24.452 Base-Backbone interact. energy: -0.101 local terms energy: -30.998810 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.244 flat angles C4'-P-C4' energy: -4.933 flat angles P-C4'-P energy: -3.063 tors. eta vs tors. theta energy: -7.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -60.985037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.985037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.985037 (E_RNA) where: Base-Base interactions energy: -21.754 where: short stacking energy: -21.754 Base-Backbone interact. energy: -0.001 local terms energy: -39.229839 where: bonds (distance) C4'-P energy: -8.077 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -8.351 flat angles P-C4'-P energy: -6.483 tors. eta vs tors. theta energy: -7.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -60.146047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.146047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.146047 (E_RNA) where: Base-Base interactions energy: -30.395 where: short stacking energy: -29.674 Base-Backbone interact. energy: -0.000 local terms energy: -29.750696 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -7.054 flat angles P-C4'-P energy: -3.629 tors. eta vs tors. theta energy: -7.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -48.328382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.328382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.328382 (E_RNA) where: Base-Base interactions energy: -21.006 where: short stacking energy: -21.006 Base-Backbone interact. energy: -0.014 local terms energy: -27.308164 where: bonds (distance) C4'-P energy: -4.620 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -3.716 flat angles P-C4'-P energy: -6.115 tors. eta vs tors. theta energy: -3.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -54.606380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.606380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.606380 (E_RNA) where: Base-Base interactions energy: -21.141 where: short stacking energy: -21.070 Base-Backbone interact. energy: -0.000 local terms energy: -33.465461 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -6.837 flat angles C4'-P-C4' energy: -5.979 flat angles P-C4'-P energy: -4.849 tors. eta vs tors. theta energy: -7.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -44.746621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.746621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.746621 (E_RNA) where: Base-Base interactions energy: -18.247 where: short stacking energy: -17.359 Base-Backbone interact. energy: -0.168 local terms energy: -26.331249 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -4.552 flat angles C4'-P-C4' energy: -6.403 flat angles P-C4'-P energy: -5.917 tors. eta vs tors. theta energy: -2.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -36.702313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.702313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.702313 (E_RNA) where: Base-Base interactions energy: -10.130 where: short stacking energy: -10.130 Base-Backbone interact. energy: -0.066 local terms energy: -26.506338 where: bonds (distance) C4'-P energy: -6.777 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -7.191 flat angles P-C4'-P energy: -3.907 tors. eta vs tors. theta energy: -0.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -43.643393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.643393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.643393 (E_RNA) where: Base-Base interactions energy: -13.356 where: short stacking energy: -13.356 Base-Backbone interact. energy: -0.000 local terms energy: -30.286815 where: bonds (distance) C4'-P energy: -7.115 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.022 flat angles P-C4'-P energy: -6.321 tors. eta vs tors. theta energy: -1.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -65.808361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.808361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.808361 (E_RNA) where: Base-Base interactions energy: -32.737 where: short stacking energy: -23.959 Base-Backbone interact. energy: -0.004 local terms energy: -33.067283 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -7.380 flat angles P-C4'-P energy: -4.026 tors. eta vs tors. theta energy: -5.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -66.368322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.368322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.368322 (E_RNA) where: Base-Base interactions energy: -34.079 where: short stacking energy: -22.325 Base-Backbone interact. energy: -0.001 local terms energy: -32.288385 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -5.921 flat angles P-C4'-P energy: -6.348 tors. eta vs tors. theta energy: -3.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -58.624907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.624907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.624907 (E_RNA) where: Base-Base interactions energy: -22.499 where: short stacking energy: -22.499 Base-Backbone interact. energy: -0.002 local terms energy: -36.123465 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -7.653 flat angles P-C4'-P energy: -7.296 tors. eta vs tors. theta energy: -4.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -54.458283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.458283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.458283 (E_RNA) where: Base-Base interactions energy: -22.005 where: short stacking energy: -22.005 Base-Backbone interact. energy: -0.071 local terms energy: -32.381848 where: bonds (distance) C4'-P energy: -7.568 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.448 flat angles P-C4'-P energy: -4.751 tors. eta vs tors. theta energy: -6.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -55.558460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.558460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.558460 (E_RNA) where: Base-Base interactions energy: -19.537 where: short stacking energy: -19.537 Base-Backbone interact. energy: -0.007 local terms energy: -36.014144 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.423 flat angles P-C4'-P energy: -5.906 tors. eta vs tors. theta energy: -6.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -48.629046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.629046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.629046 (E_RNA) where: Base-Base interactions energy: -17.641 where: short stacking energy: -17.641 Base-Backbone interact. energy: -0.000 local terms energy: -30.988187 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -7.576 flat angles P-C4'-P energy: -2.935 tors. eta vs tors. theta energy: -3.975 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: 7, replica: 6 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -51.909478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.909478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.909478 (E_RNA) where: Base-Base interactions energy: -21.592 where: short stacking energy: -14.573 Base-Backbone interact. energy: -0.005 local terms energy: -30.312693 where: bonds (distance) C4'-P energy: -6.929 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -6.304 flat angles P-C4'-P energy: -3.763 tors. eta vs tors. theta energy: -5.300 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: 8 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -55.607488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.607488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.607488 (E_RNA) where: Base-Base interactions energy: -22.457 where: short stacking energy: -22.457 Base-Backbone interact. energy: -0.011 local terms energy: -33.138700 where: bonds (distance) C4'-P energy: -7.811 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -8.155 flat angles P-C4'-P energy: -6.195 tors. eta vs tors. theta energy: -3.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -40.238687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.238687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.238687 (E_RNA) where: Base-Base interactions energy: -14.289 where: short stacking energy: -10.500 Base-Backbone interact. energy: -0.113 local terms energy: -25.836568 where: bonds (distance) C4'-P energy: -5.623 bonds (distance) P-C4' energy: -6.179 flat angles C4'-P-C4' energy: -6.407 flat angles P-C4'-P energy: -5.753 tors. eta vs tors. theta energy: -1.875 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: 7 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -43.631497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.631497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.631497 (E_RNA) where: Base-Base interactions energy: -10.961 where: short stacking energy: -10.961 Base-Backbone interact. energy: -0.002 local terms energy: -32.668302 where: bonds (distance) C4'-P energy: -7.107 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -7.728 flat angles P-C4'-P energy: -6.879 tors. eta vs tors. theta energy: -3.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -64.633170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.633170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.633170 (E_RNA) where: Base-Base interactions energy: -29.981 where: short stacking energy: -29.981 Base-Backbone interact. energy: -0.081 local terms energy: -34.571242 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -6.441 flat angles P-C4'-P energy: -3.210 tors. eta vs tors. theta energy: -7.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -52.893342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.893342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.893342 (E_RNA) where: Base-Base interactions energy: -18.684 where: short stacking energy: -18.684 Base-Backbone interact. energy: -0.053 local terms energy: -34.155959 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.870 flat angles C4'-P-C4' energy: -9.479 flat angles P-C4'-P energy: -5.757 tors. eta vs tors. theta energy: -2.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -59.912621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.912621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.912621 (E_RNA) where: Base-Base interactions energy: -22.391 where: short stacking energy: -21.753 Base-Backbone interact. energy: -0.017 local terms energy: -37.505020 where: bonds (distance) C4'-P energy: -8.603 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -6.839 flat angles P-C4'-P energy: -6.762 tors. eta vs tors. theta energy: -7.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -64.464958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.464958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.464958 (E_RNA) where: Base-Base interactions energy: -25.592 where: short stacking energy: -25.592 Base-Backbone interact. energy: -0.000 local terms energy: -38.872503 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -8.024 flat angles P-C4'-P energy: -5.547 tors. eta vs tors. theta energy: -8.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -56.318085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.318085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.318085 (E_RNA) where: Base-Base interactions energy: -24.003 where: short stacking energy: -24.003 Base-Backbone interact. energy: -0.016 local terms energy: -32.298850 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -8.065 flat angles P-C4'-P energy: -4.473 tors. eta vs tors. theta energy: -4.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -55.793712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.793712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.793712 (E_RNA) where: Base-Base interactions energy: -20.776 where: short stacking energy: -20.776 Base-Backbone interact. energy: -0.028 local terms energy: -34.988905 where: bonds (distance) C4'-P energy: -7.253 bonds (distance) P-C4' energy: -9.101 flat angles C4'-P-C4' energy: -6.958 flat angles P-C4'-P energy: -4.456 tors. eta vs tors. theta energy: -7.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -45.317771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.317771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.317771 (E_RNA) where: Base-Base interactions energy: -18.332 where: short stacking energy: -11.797 Base-Backbone interact. energy: -0.004 local terms energy: -26.981851 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -4.753 flat angles P-C4'-P energy: -5.691 tors. eta vs tors. theta energy: -1.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -36.520597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.520597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.520597 (E_RNA) where: Base-Base interactions energy: -9.029 where: short stacking energy: -6.427 Base-Backbone interact. energy: -0.413 local terms energy: -27.078253 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.853 flat angles P-C4'-P energy: -3.507 tors. eta vs tors. theta energy: 2.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -45.282357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.282357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.282357 (E_RNA) where: Base-Base interactions energy: -11.074 where: short stacking energy: -10.292 Base-Backbone interact. energy: -0.001 local terms energy: -34.207984 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.381 flat angles P-C4'-P energy: -6.999 tors. eta vs tors. theta energy: -1.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -38.596639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.596639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.596639 (E_RNA) where: Base-Base interactions energy: -7.359 where: short stacking energy: -7.320 Base-Backbone interact. energy: -0.031 local terms energy: -31.206021 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -9.824 flat angles C4'-P-C4' energy: -8.483 flat angles P-C4'-P energy: -4.902 tors. eta vs tors. theta energy: 0.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -64.168558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.168558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.168558 (E_RNA) where: Base-Base interactions energy: -26.659 where: short stacking energy: -26.659 Base-Backbone interact. energy: -0.000 local terms energy: -37.509937 where: bonds (distance) C4'-P energy: -8.672 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.836 flat angles P-C4'-P energy: -4.380 tors. eta vs tors. theta energy: -8.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -63.344782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.344782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.344782 (E_RNA) where: Base-Base interactions energy: -24.194 where: short stacking energy: -24.194 Base-Backbone interact. energy: -0.003 local terms energy: -39.148277 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -8.164 flat angles P-C4'-P energy: -6.959 tors. eta vs tors. theta energy: -7.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -64.263806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.263806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.263806 (E_RNA) where: Base-Base interactions energy: -29.875 where: short stacking energy: -27.122 Base-Backbone interact. energy: -0.007 local terms energy: -34.382456 where: bonds (distance) C4'-P energy: -5.005 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -6.123 flat angles P-C4'-P energy: -7.109 tors. eta vs tors. theta energy: -7.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -58.524617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.524617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.524617 (E_RNA) where: Base-Base interactions energy: -26.039 where: short stacking energy: -26.039 Base-Backbone interact. energy: -0.009 local terms energy: -32.476253 where: bonds (distance) C4'-P energy: -6.325 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -7.868 flat angles P-C4'-P energy: -2.754 tors. eta vs tors. theta energy: -9.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -58.754269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.754269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.754269 (E_RNA) where: Base-Base interactions energy: -23.413 where: short stacking energy: -18.127 Base-Backbone interact. energy: -2.615 local terms energy: -32.727073 where: bonds (distance) C4'-P energy: -8.727 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -5.576 flat angles P-C4'-P energy: -4.734 tors. eta vs tors. theta energy: -6.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -48.270326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.270326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.270326 (E_RNA) where: Base-Base interactions energy: -25.058 where: short stacking energy: -16.205 Base-Backbone interact. energy: -0.063 local terms energy: -23.148732 where: bonds (distance) C4'-P energy: -4.889 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -6.077 flat angles P-C4'-P energy: -3.448 tors. eta vs tors. theta energy: -1.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -45.892370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.892370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.892370 (E_RNA) where: Base-Base interactions energy: -16.100 where: short stacking energy: -16.100 Base-Backbone interact. energy: -0.008 local terms energy: -29.784613 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.606 flat angles P-C4'-P energy: -2.221 tors. eta vs tors. theta energy: -3.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -44.585633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.585633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.585633 (E_RNA) where: Base-Base interactions energy: -24.598 where: short stacking energy: -16.939 Base-Backbone interact. energy: -0.035 local terms energy: -19.953182 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -8.737 flat angles P-C4'-P energy: -2.244 tors. eta vs tors. theta energy: 1.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -45.309105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.309105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.309105 (E_RNA) where: Base-Base interactions energy: -18.137 where: short stacking energy: -18.137 Base-Backbone interact. energy: -0.001 local terms energy: -27.171889 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.296 flat angles P-C4'-P energy: -3.182 tors. eta vs tors. theta energy: -6.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -41.101959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.101959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.101959 (E_RNA) where: Base-Base interactions energy: -17.325 where: short stacking energy: -17.325 Base-Backbone interact. energy: -0.000 local terms energy: -23.776622 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.581 flat angles C4'-P-C4' energy: -7.610 flat angles P-C4'-P energy: -5.114 tors. eta vs tors. theta energy: 0.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -71.725195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.725195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.725195 (E_RNA) where: Base-Base interactions energy: -34.179 where: short stacking energy: -34.179 Base-Backbone interact. energy: -0.000 local terms energy: -37.545547 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -6.987 flat angles P-C4'-P energy: -6.335 tors. eta vs tors. theta energy: -7.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -71.575921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.575921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.575921 (E_RNA) where: Base-Base interactions energy: -31.675 where: short stacking energy: -27.351 Base-Backbone interact. energy: -0.000 local terms energy: -39.900828 where: bonds (distance) C4'-P energy: -6.255 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.971 flat angles P-C4'-P energy: -7.713 tors. eta vs tors. theta energy: -9.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -63.748916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.748916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.748916 (E_RNA) where: Base-Base interactions energy: -34.040 where: short stacking energy: -23.466 Base-Backbone interact. energy: -0.035 local terms energy: -29.674643 where: bonds (distance) C4'-P energy: -5.121 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.505 flat angles P-C4'-P energy: -3.927 tors. eta vs tors. theta energy: -6.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -60.868143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.868143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.868143 (E_RNA) where: Base-Base interactions energy: -29.709 where: short stacking energy: -16.691 Base-Backbone interact. energy: -0.141 local terms energy: -31.017489 where: bonds (distance) C4'-P energy: -6.835 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -7.702 flat angles P-C4'-P energy: -5.135 tors. eta vs tors. theta energy: -2.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -58.214436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.214436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.214436 (E_RNA) where: Base-Base interactions energy: -26.148 where: short stacking energy: -26.148 Base-Backbone interact. energy: -0.000 local terms energy: -32.065796 where: bonds (distance) C4'-P energy: -4.843 bonds (distance) P-C4' energy: -8.437 flat angles C4'-P-C4' energy: -6.783 flat angles P-C4'-P energy: -3.404 tors. eta vs tors. theta energy: -8.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -50.269262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.269262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.269262 (E_RNA) where: Base-Base interactions energy: -19.773 where: short stacking energy: -19.773 Base-Backbone interact. energy: -0.018 local terms energy: -30.477847 where: bonds (distance) C4'-P energy: -6.271 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -8.992 flat angles P-C4'-P energy: -4.979 tors. eta vs tors. theta energy: -4.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -57.941479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.941479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.941479 (E_RNA) where: Base-Base interactions energy: -25.830 where: short stacking energy: -22.238 Base-Backbone interact. energy: -0.000 local terms energy: -32.111428 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -6.867 flat angles C4'-P-C4' energy: -6.642 flat angles P-C4'-P energy: -5.089 tors. eta vs tors. theta energy: -5.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -40.214706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.214706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.214706 (E_RNA) where: Base-Base interactions energy: -15.190 where: short stacking energy: -10.915 Base-Backbone interact. energy: 0.218 local terms energy: -25.243195 where: bonds (distance) C4'-P energy: -5.170 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -5.063 flat angles P-C4'-P energy: -6.114 tors. eta vs tors. theta energy: -0.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -45.001466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.001466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.001466 (E_RNA) where: Base-Base interactions energy: -18.145 where: short stacking energy: -16.411 Base-Backbone interact. energy: -0.046 local terms energy: -26.810429 where: bonds (distance) C4'-P energy: -7.099 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -6.769 flat angles P-C4'-P energy: 0.050 tors. eta vs tors. theta energy: -6.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -45.874767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.874767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.874767 (E_RNA) where: Base-Base interactions energy: -16.202 where: short stacking energy: -16.202 Base-Backbone interact. energy: -0.089 local terms energy: -29.583671 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -5.748 flat angles P-C4'-P energy: -6.164 tors. eta vs tors. theta energy: -4.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -63.367729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.367729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.367729 (E_RNA) where: Base-Base interactions energy: -31.176 where: short stacking energy: -24.177 Base-Backbone interact. energy: -0.013 local terms energy: -32.179189 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -6.099 flat angles C4'-P-C4' energy: -8.398 flat angles P-C4'-P energy: -4.714 tors. eta vs tors. theta energy: -5.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -69.235448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.235448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.235448 (E_RNA) where: Base-Base interactions energy: -30.645 where: short stacking energy: -30.645 Base-Backbone interact. energy: -0.000 local terms energy: -38.590666 where: bonds (distance) C4'-P energy: -7.663 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.140 flat angles P-C4'-P energy: -4.608 tors. eta vs tors. theta energy: -8.864 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: 3 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -69.836273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.836273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.836273 (E_RNA) where: Base-Base interactions energy: -37.617 where: short stacking energy: -23.063 Base-Backbone interact. energy: -0.002 local terms energy: -32.217439 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -6.679 flat angles C4'-P-C4' energy: -8.848 flat angles P-C4'-P energy: -5.718 tors. eta vs tors. theta energy: -3.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -55.534322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.534322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.534322 (E_RNA) where: Base-Base interactions energy: -22.411 where: short stacking energy: -22.411 Base-Backbone interact. energy: -0.002 local terms energy: -33.121523 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.775 flat angles P-C4'-P energy: -4.133 tors. eta vs tors. theta energy: -5.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -61.052518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.052518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.052518 (E_RNA) where: Base-Base interactions energy: -26.396 where: short stacking energy: -26.396 Base-Backbone interact. energy: -0.376 local terms energy: -34.280145 where: bonds (distance) C4'-P energy: -4.818 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.479 flat angles P-C4'-P energy: -3.435 tors. eta vs tors. theta energy: -9.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -47.625140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.625140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.625140 (E_RNA) where: Base-Base interactions energy: -17.943 where: short stacking energy: -17.943 Base-Backbone interact. energy: -0.234 local terms energy: -29.448401 where: bonds (distance) C4'-P energy: -5.730 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -7.339 flat angles P-C4'-P energy: -5.010 tors. eta vs tors. theta energy: -3.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -53.059333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.059333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.059333 (E_RNA) where: Base-Base interactions energy: -23.709 where: short stacking energy: -23.709 Base-Backbone interact. energy: -0.007 local terms energy: -29.343181 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -5.797 flat angles C4'-P-C4' energy: -4.714 flat angles P-C4'-P energy: -4.774 tors. eta vs tors. theta energy: -5.991 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: 7 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -49.899581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.899581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.899581 (E_RNA) where: Base-Base interactions energy: -18.765 where: short stacking energy: -18.765 Base-Backbone interact. energy: -0.101 local terms energy: -31.033609 where: bonds (distance) C4'-P energy: -3.990 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -7.025 flat angles P-C4'-P energy: -5.844 tors. eta vs tors. theta energy: -6.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -40.637603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.637603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.637603 (E_RNA) where: Base-Base interactions energy: -15.922 where: short stacking energy: -15.922 Base-Backbone interact. energy: -0.061 local terms energy: -24.654753 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -8.128 flat angles C4'-P-C4' energy: -6.759 flat angles P-C4'-P energy: -1.917 tors. eta vs tors. theta energy: -1.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -49.836381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.836381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.836381 (E_RNA) where: Base-Base interactions energy: -24.891 where: short stacking energy: -14.997 Base-Backbone interact. energy: -0.043 local terms energy: -24.902575 where: bonds (distance) C4'-P energy: -5.605 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -4.611 flat angles P-C4'-P energy: -2.814 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: 1, replica: 5 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -65.418703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.418703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.418703 (E_RNA) where: Base-Base interactions energy: -32.230 where: short stacking energy: -21.486 Base-Backbone interact. energy: -0.006 local terms energy: -33.182862 where: bonds (distance) C4'-P energy: -5.183 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -8.100 flat angles P-C4'-P energy: -7.784 tors. eta vs tors. theta energy: -5.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -60.159904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.159904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.159904 (E_RNA) where: Base-Base interactions energy: -28.496 where: short stacking energy: -28.496 Base-Backbone interact. energy: -0.053 local terms energy: -31.611587 where: bonds (distance) C4'-P energy: -6.342 bonds (distance) P-C4' energy: -7.652 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -5.980 tors. eta vs tors. theta energy: -6.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -70.168948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.168948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.168948 (E_RNA) where: Base-Base interactions energy: -40.181 where: short stacking energy: -27.322 Base-Backbone interact. energy: -0.021 local terms energy: -29.966015 where: bonds (distance) C4'-P energy: -3.693 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -5.209 flat angles P-C4'-P energy: -3.952 tors. eta vs tors. theta energy: -8.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -49.707657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.707657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.707657 (E_RNA) where: Base-Base interactions energy: -20.639 where: short stacking energy: -20.639 Base-Backbone interact. energy: -0.005 local terms energy: -29.063555 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -8.472 flat angles P-C4'-P energy: -3.988 tors. eta vs tors. theta energy: -2.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -61.309818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.309818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.309818 (E_RNA) where: Base-Base interactions energy: -27.324 where: short stacking energy: -27.324 Base-Backbone interact. energy: -0.017 local terms energy: -33.969323 where: bonds (distance) C4'-P energy: -6.519 bonds (distance) P-C4' energy: -7.826 flat angles C4'-P-C4' energy: -7.791 flat angles P-C4'-P energy: -3.935 tors. eta vs tors. theta energy: -7.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -50.868472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.868472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.868472 (E_RNA) where: Base-Base interactions energy: -20.809 where: short stacking energy: -20.423 Base-Backbone interact. energy: -0.055 local terms energy: -30.004221 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -7.268 flat angles P-C4'-P energy: -5.623 tors. eta vs tors. theta energy: -2.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -55.729667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.729667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.729667 (E_RNA) where: Base-Base interactions energy: -29.670 where: short stacking energy: -22.874 Base-Backbone interact. energy: -0.005 local terms energy: -26.054347 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -5.687 flat angles P-C4'-P energy: -3.091 tors. eta vs tors. theta energy: -1.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -47.100825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.100825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.100825 (E_RNA) where: Base-Base interactions energy: -22.188 where: short stacking energy: -22.188 Base-Backbone interact. energy: -0.103 local terms energy: -24.809973 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.994 flat angles P-C4'-P energy: -5.201 tors. eta vs tors. theta energy: 2.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -44.371966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.371966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.371966 (E_RNA) where: Base-Base interactions energy: -13.392 where: short stacking energy: -13.154 Base-Backbone interact. energy: -0.001 local terms energy: -30.979430 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -4.808 flat angles C4'-P-C4' energy: -8.231 flat angles P-C4'-P energy: -4.130 tors. eta vs tors. theta energy: -5.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -39.028425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.028425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.028425 (E_RNA) where: Base-Base interactions energy: -15.383 where: short stacking energy: -10.689 Base-Backbone interact. energy: -0.172 local terms energy: -23.473516 where: bonds (distance) C4'-P energy: -4.989 bonds (distance) P-C4' energy: -8.887 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -6.195 tors. eta vs tors. theta energy: 2.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -69.072418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.072418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.072418 (E_RNA) where: Base-Base interactions energy: -30.408 where: short stacking energy: -30.408 Base-Backbone interact. energy: -0.003 local terms energy: -38.661253 where: bonds (distance) C4'-P energy: -4.992 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -8.105 flat angles P-C4'-P energy: -7.613 tors. eta vs tors. theta energy: -9.414 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: 5 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -59.958006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.958006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.958006 (E_RNA) where: Base-Base interactions energy: -28.817 where: short stacking energy: -28.817 Base-Backbone interact. energy: -0.000 local terms energy: -31.140381 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.065 flat angles P-C4'-P energy: -5.693 tors. eta vs tors. theta energy: -5.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -56.337427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.337427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.337427 (E_RNA) where: Base-Base interactions energy: -25.475 where: short stacking energy: -25.475 Base-Backbone interact. energy: -0.002 local terms energy: -30.860541 where: bonds (distance) C4'-P energy: -6.761 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.213 flat angles P-C4'-P energy: -0.145 tors. eta vs tors. theta energy: -6.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -49.772078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.772078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.772078 (E_RNA) where: Base-Base interactions energy: -21.976 where: short stacking energy: -21.976 Base-Backbone interact. energy: -0.285 local terms energy: -27.511214 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -6.558 flat angles P-C4'-P energy: -5.571 tors. eta vs tors. theta energy: -1.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -56.332141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.332141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.332141 (E_RNA) where: Base-Base interactions energy: -31.033 where: short stacking energy: -13.618 Base-Backbone interact. energy: -0.226 local terms energy: -25.072914 where: bonds (distance) C4'-P energy: -5.087 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -5.247 flat angles P-C4'-P energy: -5.841 tors. eta vs tors. theta energy: 0.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -51.437920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.437920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.437920 (E_RNA) where: Base-Base interactions energy: -19.089 where: short stacking energy: -19.189 Base-Backbone interact. energy: -0.666 local terms energy: -31.683866 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -5.636 flat angles P-C4'-P energy: -5.347 tors. eta vs tors. theta energy: -3.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -51.656362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.656362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.656362 (E_RNA) where: Base-Base interactions energy: -21.242 where: short stacking energy: -16.698 Base-Backbone interact. energy: -0.015 local terms energy: -30.400272 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -7.986 flat angles C4'-P-C4' energy: -4.513 flat angles P-C4'-P energy: -4.206 tors. eta vs tors. theta energy: -5.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -41.935563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.935563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.935563 (E_RNA) where: Base-Base interactions energy: -17.940 where: short stacking energy: -17.940 Base-Backbone interact. energy: -0.052 local terms energy: -23.943540 where: bonds (distance) C4'-P energy: -7.638 bonds (distance) P-C4' energy: -3.252 flat angles C4'-P-C4' energy: -6.611 flat angles P-C4'-P energy: -4.655 tors. eta vs tors. theta energy: -1.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -49.693603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.693603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.693603 (E_RNA) where: Base-Base interactions energy: -16.271 where: short stacking energy: -16.271 Base-Backbone interact. energy: -0.007 local terms energy: -33.415485 where: bonds (distance) C4'-P energy: -8.002 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.890 flat angles P-C4'-P energy: -5.414 tors. eta vs tors. theta energy: -3.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -35.816534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.816534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.816534 (E_RNA) where: Base-Base interactions energy: -8.922 where: short stacking energy: -8.922 Base-Backbone interact. energy: -0.102 local terms energy: -26.793034 where: bonds (distance) C4'-P energy: -8.549 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -3.677 flat angles P-C4'-P energy: -5.678 tors. eta vs tors. theta energy: -0.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -64.092489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.092489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.092489 (E_RNA) where: Base-Base interactions energy: -30.833 where: short stacking energy: -30.833 Base-Backbone interact. energy: -0.000 local terms energy: -33.259495 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -7.368 flat angles C4'-P-C4' energy: -4.827 flat angles P-C4'-P energy: -4.699 tors. eta vs tors. theta energy: -9.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -60.707238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.707238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.707238 (E_RNA) where: Base-Base interactions energy: -28.570 where: short stacking energy: -18.830 Base-Backbone interact. energy: -0.086 local terms energy: -32.051044 where: bonds (distance) C4'-P energy: -5.662 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -7.322 flat angles P-C4'-P energy: -5.154 tors. eta vs tors. theta energy: -5.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -57.024521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.024521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.024521 (E_RNA) where: Base-Base interactions energy: -25.032 where: short stacking energy: -24.940 Base-Backbone interact. energy: -0.006 local terms energy: -31.986089 where: bonds (distance) C4'-P energy: -6.814 bonds (distance) P-C4' energy: -7.066 flat angles C4'-P-C4' energy: -7.035 flat angles P-C4'-P energy: -6.431 tors. eta vs tors. theta energy: -4.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -45.809340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.809340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.809340 (E_RNA) where: Base-Base interactions energy: -23.769 where: short stacking energy: -23.769 Base-Backbone interact. energy: -0.002 local terms energy: -22.038637 where: bonds (distance) C4'-P energy: -4.790 bonds (distance) P-C4' energy: 0.264 flat angles C4'-P-C4' energy: -7.297 flat angles P-C4'-P energy: -4.918 tors. eta vs tors. theta energy: -5.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -52.983312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.983312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.983312 (E_RNA) where: Base-Base interactions energy: -19.851 where: short stacking energy: -19.851 Base-Backbone interact. energy: -0.008 local terms energy: -33.124081 where: bonds (distance) C4'-P energy: -8.217 bonds (distance) P-C4' energy: -7.766 flat angles C4'-P-C4' energy: -8.052 flat angles P-C4'-P energy: -3.168 tors. eta vs tors. theta energy: -5.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -59.876487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.876487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.876487 (E_RNA) where: Base-Base interactions energy: -27.294 where: short stacking energy: -27.294 Base-Backbone interact. energy: -0.005 local terms energy: -32.577517 where: bonds (distance) C4'-P energy: -6.176 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -7.652 flat angles P-C4'-P energy: -6.300 tors. eta vs tors. theta energy: -7.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -50.139772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.139772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.139772 (E_RNA) where: Base-Base interactions energy: -20.561 where: short stacking energy: -20.561 Base-Backbone interact. energy: -0.026 local terms energy: -29.552303 where: bonds (distance) C4'-P energy: -7.908 bonds (distance) P-C4' energy: -6.547 flat angles C4'-P-C4' energy: -4.999 flat angles P-C4'-P energy: -4.536 tors. eta vs tors. theta energy: -5.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -49.219166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.219166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.219166 (E_RNA) where: Base-Base interactions energy: -18.790 where: short stacking energy: -18.790 Base-Backbone interact. energy: -0.000 local terms energy: -30.428658 where: bonds (distance) C4'-P energy: -6.689 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -5.958 flat angles P-C4'-P energy: -5.472 tors. eta vs tors. theta energy: -4.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -39.553213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.553213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.553213 (E_RNA) where: Base-Base interactions energy: -11.865 where: short stacking energy: -11.865 Base-Backbone interact. energy: -0.006 local terms energy: -27.682335 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -7.411 flat angles C4'-P-C4' energy: -8.558 flat angles P-C4'-P energy: -3.745 tors. eta vs tors. theta energy: -0.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -42.230590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.230590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.230590 (E_RNA) where: Base-Base interactions energy: -12.834 where: short stacking energy: -11.056 Base-Backbone interact. energy: -0.000 local terms energy: -29.396521 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -7.893 flat angles C4'-P-C4' energy: -7.592 flat angles P-C4'-P energy: -4.407 tors. eta vs tors. theta energy: -1.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -64.513219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.513219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.513219 (E_RNA) where: Base-Base interactions energy: -26.416 where: short stacking energy: -26.416 Base-Backbone interact. energy: -0.004 local terms energy: -38.093223 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -9.043 flat angles P-C4'-P energy: -6.113 tors. eta vs tors. theta energy: -5.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -62.840755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.840755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.840755 (E_RNA) where: Base-Base interactions energy: -23.743 where: short stacking energy: -23.743 Base-Backbone interact. energy: -0.000 local terms energy: -39.097946 where: bonds (distance) C4'-P energy: -7.915 bonds (distance) P-C4' energy: -9.804 flat angles C4'-P-C4' energy: -8.559 flat angles P-C4'-P energy: -4.435 tors. eta vs tors. theta energy: -8.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -58.417913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.417913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.417913 (E_RNA) where: Base-Base interactions energy: -28.867 where: short stacking energy: -20.662 Base-Backbone interact. energy: -0.001 local terms energy: -29.549848 where: bonds (distance) C4'-P energy: -4.569 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -8.045 flat angles P-C4'-P energy: -3.124 tors. eta vs tors. theta energy: -5.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -53.808498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.808498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.808498 (E_RNA) where: Base-Base interactions energy: -24.653 where: short stacking energy: -16.223 Base-Backbone interact. energy: -0.117 local terms energy: -29.038360 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -6.162 flat angles C4'-P-C4' energy: -7.700 flat angles P-C4'-P energy: -4.657 tors. eta vs tors. theta energy: -2.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -48.538527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.538527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.538527 (E_RNA) where: Base-Base interactions energy: -20.476 where: short stacking energy: -10.156 Base-Backbone interact. energy: -0.007 local terms energy: -28.055581 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -5.349 flat angles P-C4'-P energy: -5.541 tors. eta vs tors. theta energy: -0.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -48.515177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.515177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.515177 (E_RNA) where: Base-Base interactions energy: -19.770 where: short stacking energy: -19.770 Base-Backbone interact. energy: -0.087 local terms energy: -28.657761 where: bonds (distance) C4'-P energy: -7.667 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -5.529 flat angles P-C4'-P energy: -3.845 tors. eta vs tors. theta energy: -2.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -48.208996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.208996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.208996 (E_RNA) where: Base-Base interactions energy: -18.356 where: short stacking energy: -18.356 Base-Backbone interact. energy: -0.001 local terms energy: -29.852668 where: bonds (distance) C4'-P energy: -5.641 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.534 flat angles P-C4'-P energy: -4.464 tors. eta vs tors. theta energy: -6.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -47.361769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.361769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.361769 (E_RNA) where: Base-Base interactions energy: -22.237 where: short stacking energy: -22.237 Base-Backbone interact. energy: -0.133 local terms energy: -24.992262 where: bonds (distance) C4'-P energy: -4.588 bonds (distance) P-C4' energy: -7.766 flat angles C4'-P-C4' energy: -4.166 flat angles P-C4'-P energy: -3.207 tors. eta vs tors. theta energy: -5.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -48.586650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.586650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.586650 (E_RNA) where: Base-Base interactions energy: -17.300 where: short stacking energy: -17.256 Base-Backbone interact. energy: -0.000 local terms energy: -31.286313 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -6.714 flat angles P-C4'-P energy: -6.416 tors. eta vs tors. theta energy: -3.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -46.761170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.761170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.761170 (E_RNA) where: Base-Base interactions energy: -15.847 where: short stacking energy: -15.847 Base-Backbone interact. energy: -0.008 local terms energy: -30.906154 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -8.316 flat angles P-C4'-P energy: -6.064 tors. eta vs tors. theta energy: -0.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -65.817294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.817294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.817294 (E_RNA) where: Base-Base interactions energy: -29.056 where: short stacking energy: -23.177 Base-Backbone interact. energy: -0.053 local terms energy: -36.708616 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -9.080 flat angles P-C4'-P energy: -6.510 tors. eta vs tors. theta energy: -5.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -62.433272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.433272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.433272 (E_RNA) where: Base-Base interactions energy: -25.058 where: short stacking energy: -25.058 Base-Backbone interact. energy: -0.000 local terms energy: -37.375024 where: bonds (distance) C4'-P energy: -6.806 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.798 flat angles P-C4'-P energy: -6.347 tors. eta vs tors. theta energy: -7.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -57.479950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.479950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.479950 (E_RNA) where: Base-Base interactions energy: -22.439 where: short stacking energy: -22.439 Base-Backbone interact. energy: -0.278 local terms energy: -34.762696 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -7.471 flat angles P-C4'-P energy: -6.533 tors. eta vs tors. theta energy: -5.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -63.592875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.592875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.592875 (E_RNA) where: Base-Base interactions energy: -29.687 where: short stacking energy: -29.687 Base-Backbone interact. energy: -0.000 local terms energy: -33.906203 where: bonds (distance) C4'-P energy: -5.253 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -7.538 flat angles P-C4'-P energy: -4.971 tors. eta vs tors. theta energy: -7.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -53.214291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.214291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.214291 (E_RNA) where: Base-Base interactions energy: -21.236 where: short stacking energy: -12.479 Base-Backbone interact. energy: -0.001 local terms energy: -31.977962 where: bonds (distance) C4'-P energy: -8.851 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.678 flat angles P-C4'-P energy: -4.113 tors. eta vs tors. theta energy: -4.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -53.585570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.585570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.585570 (E_RNA) where: Base-Base interactions energy: -20.693 where: short stacking energy: -20.693 Base-Backbone interact. energy: -0.000 local terms energy: -32.892189 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -7.750 flat angles C4'-P-C4' energy: -6.782 flat angles P-C4'-P energy: -6.029 tors. eta vs tors. theta energy: -4.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -57.258194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.258194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.258194 (E_RNA) where: Base-Base interactions energy: -24.763 where: short stacking energy: -24.763 Base-Backbone interact. energy: -0.033 local terms energy: -32.462432 where: bonds (distance) C4'-P energy: -7.323 bonds (distance) P-C4' energy: -5.464 flat angles C4'-P-C4' energy: -8.325 flat angles P-C4'-P energy: -4.943 tors. eta vs tors. theta energy: -6.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -50.278274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.278274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.278274 (E_RNA) where: Base-Base interactions energy: -17.673 where: short stacking energy: -16.446 Base-Backbone interact. energy: -0.018 local terms energy: -32.587965 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -6.765 flat angles C4'-P-C4' energy: -6.329 flat angles P-C4'-P energy: -5.859 tors. eta vs tors. theta energy: -5.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -51.858029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.858029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.858029 (E_RNA) where: Base-Base interactions energy: -20.775 where: short stacking energy: -20.775 Base-Backbone interact. energy: -0.029 local terms energy: -31.054173 where: bonds (distance) C4'-P energy: -4.984 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.042 flat angles P-C4'-P energy: -6.837 tors. eta vs tors. theta energy: -3.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -39.637622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.637622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.637622 (E_RNA) where: Base-Base interactions energy: -12.398 where: short stacking energy: -12.398 Base-Backbone interact. energy: -0.002 local terms energy: -27.238119 where: bonds (distance) C4'-P energy: -6.069 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -6.142 flat angles P-C4'-P energy: -5.904 tors. eta vs tors. theta energy: -2.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -71.466598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.466598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.466598 (E_RNA) where: Base-Base interactions energy: -32.527 where: short stacking energy: -32.527 Base-Backbone interact. energy: -0.000 local terms energy: -38.939106 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -7.450 flat angles P-C4'-P energy: -4.818 tors. eta vs tors. theta energy: -9.412 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: 2 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -71.710507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.710507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.710507 (E_RNA) where: Base-Base interactions energy: -37.711 where: short stacking energy: -22.081 Base-Backbone interact. energy: -0.001 local terms energy: -33.998540 where: bonds (distance) C4'-P energy: -7.940 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -7.189 flat angles P-C4'-P energy: -6.131 tors. eta vs tors. theta energy: -4.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -64.355289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.355289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.355289 (E_RNA) where: Base-Base interactions energy: -27.955 where: short stacking energy: -27.955 Base-Backbone interact. energy: -0.000 local terms energy: -36.400305 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -6.680 flat angles P-C4'-P energy: -4.890 tors. eta vs tors. theta energy: -8.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -54.938225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.938225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.938225 (E_RNA) where: Base-Base interactions energy: -28.541 where: short stacking energy: -18.777 Base-Backbone interact. energy: -0.011 local terms energy: -26.386128 where: bonds (distance) C4'-P energy: -7.314 bonds (distance) P-C4' energy: -6.498 flat angles C4'-P-C4' energy: -6.567 flat angles P-C4'-P energy: -4.760 tors. eta vs tors. theta energy: -1.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -53.807353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.807353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.807353 (E_RNA) where: Base-Base interactions energy: -18.322 where: short stacking energy: -18.322 Base-Backbone interact. energy: -0.010 local terms energy: -35.475011 where: bonds (distance) C4'-P energy: -7.439 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.105 flat angles P-C4'-P energy: -6.682 tors. eta vs tors. theta energy: -5.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -50.671419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.671419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.671419 (E_RNA) where: Base-Base interactions energy: -19.133 where: short stacking energy: -19.133 Base-Backbone interact. energy: -0.001 local terms energy: -31.536972 where: bonds (distance) C4'-P energy: -5.962 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -7.914 flat angles P-C4'-P energy: -5.732 tors. eta vs tors. theta energy: -4.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -46.689005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.689005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.689005 (E_RNA) where: Base-Base interactions energy: -18.149 where: short stacking energy: -14.159 Base-Backbone interact. energy: -0.211 local terms energy: -28.329083 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -7.340 flat angles P-C4'-P energy: -2.273 tors. eta vs tors. theta energy: -2.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -40.791757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.791757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.791757 (E_RNA) where: Base-Base interactions energy: -13.923 where: short stacking energy: -10.141 Base-Backbone interact. energy: -0.003 local terms energy: -26.865832 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -7.600 flat angles C4'-P-C4' energy: -7.045 flat angles P-C4'-P energy: -3.509 tors. eta vs tors. theta energy: -1.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -48.096509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.096509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.096509 (E_RNA) where: Base-Base interactions energy: -19.365 where: short stacking energy: -19.365 Base-Backbone interact. energy: -0.000 local terms energy: -28.731467 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -3.666 flat angles C4'-P-C4' energy: -7.801 flat angles P-C4'-P energy: -2.646 tors. eta vs tors. theta energy: -5.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -40.581811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.581811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.581811 (E_RNA) where: Base-Base interactions energy: -17.933 where: short stacking energy: -17.933 Base-Backbone interact. energy: -0.089 local terms energy: -22.560628 where: bonds (distance) C4'-P energy: -5.680 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -5.031 flat angles P-C4'-P energy: -5.657 tors. eta vs tors. theta energy: 0.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -61.368214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.368214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.368214 (E_RNA) where: Base-Base interactions energy: -27.276 where: short stacking energy: -25.445 Base-Backbone interact. energy: -0.009 local terms energy: -34.082987 where: bonds (distance) C4'-P energy: -6.967 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.085 flat angles P-C4'-P energy: -4.279 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: 2, replica: 8 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -58.403524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.403524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.403524 (E_RNA) where: Base-Base interactions energy: -26.825 where: short stacking energy: -26.067 Base-Backbone interact. energy: -0.022 local terms energy: -31.556005 where: bonds (distance) C4'-P energy: -5.961 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -7.768 flat angles P-C4'-P energy: -4.458 tors. eta vs tors. theta energy: -5.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -57.836278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.836278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.836278 (E_RNA) where: Base-Base interactions energy: -23.491 where: short stacking energy: -23.491 Base-Backbone interact. energy: -0.009 local terms energy: -34.336500 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -7.974 flat angles P-C4'-P energy: -5.157 tors. eta vs tors. theta energy: -7.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -61.812582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.812582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.812582 (E_RNA) where: Base-Base interactions energy: -26.991 where: short stacking energy: -19.579 Base-Backbone interact. energy: -0.000 local terms energy: -34.821165 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.272 flat angles P-C4'-P energy: -5.371 tors. eta vs tors. theta energy: -6.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -46.515081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.515081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.515081 (E_RNA) where: Base-Base interactions energy: -18.323 where: short stacking energy: -18.323 Base-Backbone interact. energy: -0.116 local terms energy: -28.076314 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -5.045 tors. eta vs tors. theta energy: -2.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -44.238632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.238632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.238632 (E_RNA) where: Base-Base interactions energy: -14.356 where: short stacking energy: -14.356 Base-Backbone interact. energy: -0.096 local terms energy: -29.786408 where: bonds (distance) C4'-P energy: -8.415 bonds (distance) P-C4' energy: -7.851 flat angles C4'-P-C4' energy: -6.931 flat angles P-C4'-P energy: -3.657 tors. eta vs tors. theta energy: -2.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -52.024337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.024337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.024337 (E_RNA) where: Base-Base interactions energy: -26.735 where: short stacking energy: -14.289 Base-Backbone interact. energy: -0.019 local terms energy: -25.270824 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.826 flat angles P-C4'-P energy: -2.671 tors. eta vs tors. theta energy: -0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -47.379659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.379659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.379659 (E_RNA) where: Base-Base interactions energy: -16.529 where: short stacking energy: -16.529 Base-Backbone interact. energy: -0.060 local terms energy: -30.791155 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -7.026 flat angles C4'-P-C4' energy: -9.483 flat angles P-C4'-P energy: -3.103 tors. eta vs tors. theta energy: -3.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -45.230513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.230513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.230513 (E_RNA) where: Base-Base interactions energy: -14.564 where: short stacking energy: -9.307 Base-Backbone interact. energy: -0.251 local terms energy: -30.415413 where: bonds (distance) C4'-P energy: -6.839 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -6.051 flat angles P-C4'-P energy: -7.376 tors. eta vs tors. theta energy: -0.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -46.790733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.790733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.790733 (E_RNA) where: Base-Base interactions energy: -18.847 where: short stacking energy: -11.605 Base-Backbone interact. energy: -1.319 local terms energy: -26.624231 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -6.477 flat angles C4'-P-C4' energy: -6.132 flat angles P-C4'-P energy: -3.744 tors. eta vs tors. theta energy: -3.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -63.425866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.425866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.425866 (E_RNA) where: Base-Base interactions energy: -27.856 where: short stacking energy: -27.856 Base-Backbone interact. energy: -0.001 local terms energy: -35.568897 where: bonds (distance) C4'-P energy: -3.692 bonds (distance) P-C4' energy: -8.179 flat angles C4'-P-C4' energy: -7.500 flat angles P-C4'-P energy: -7.089 tors. eta vs tors. theta energy: -9.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -66.518348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.518348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.518348 (E_RNA) where: Base-Base interactions energy: -32.383 where: short stacking energy: -24.659 Base-Backbone interact. energy: -0.036 local terms energy: -34.099186 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -9.088 flat angles P-C4'-P energy: -5.771 tors. eta vs tors. theta energy: -5.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -58.047947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.047947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.047947 (E_RNA) where: Base-Base interactions energy: -24.507 where: short stacking energy: -24.507 Base-Backbone interact. energy: -0.034 local terms energy: -33.507269 where: bonds (distance) C4'-P energy: -6.817 bonds (distance) P-C4' energy: -7.365 flat angles C4'-P-C4' energy: -6.470 flat angles P-C4'-P energy: -6.449 tors. eta vs tors. theta energy: -6.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -57.433979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.433979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.433979 (E_RNA) where: Base-Base interactions energy: -23.002 where: short stacking energy: -23.002 Base-Backbone interact. energy: -0.002 local terms energy: -34.429785 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -9.009 flat angles P-C4'-P energy: -5.216 tors. eta vs tors. theta energy: -3.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -52.804526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.804526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.804526 (E_RNA) where: Base-Base interactions energy: -17.877 where: short stacking energy: -17.877 Base-Backbone interact. energy: -0.131 local terms energy: -34.796525 where: bonds (distance) C4'-P energy: -6.772 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.847 flat angles P-C4'-P energy: -4.043 tors. eta vs tors. theta energy: -7.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -51.065631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.065631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.065631 (E_RNA) where: Base-Base interactions energy: -19.338 where: short stacking energy: -19.338 Base-Backbone interact. energy: -0.000 local terms energy: -31.727194 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -6.946 flat angles C4'-P-C4' energy: -6.516 flat angles P-C4'-P energy: -5.452 tors. eta vs tors. theta energy: -5.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -46.099671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.099671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.099671 (E_RNA) where: Base-Base interactions energy: -17.416 where: short stacking energy: -16.998 Base-Backbone interact. energy: 0.100 local terms energy: -28.783283 where: bonds (distance) C4'-P energy: -4.586 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -7.414 flat angles P-C4'-P energy: -4.498 tors. eta vs tors. theta energy: -3.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -44.461815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.461815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.461815 (E_RNA) where: Base-Base interactions energy: -14.471 where: short stacking energy: -14.471 Base-Backbone interact. energy: -0.115 local terms energy: -29.875593 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.679 flat angles P-C4'-P energy: -7.301 tors. eta vs tors. theta energy: -0.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -43.520626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.520626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.520626 (E_RNA) where: Base-Base interactions energy: -17.278 where: short stacking energy: -17.278 Base-Backbone interact. energy: -0.001 local terms energy: -26.241642 where: bonds (distance) C4'-P energy: -3.576 bonds (distance) P-C4' energy: -7.757 flat angles C4'-P-C4' energy: -8.618 flat angles P-C4'-P energy: -3.083 tors. eta vs tors. theta energy: -3.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -41.802996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.802996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.802996 (E_RNA) where: Base-Base interactions energy: -16.400 where: short stacking energy: -13.423 Base-Backbone interact. energy: -0.000 local terms energy: -25.402952 where: bonds (distance) C4'-P energy: -7.013 bonds (distance) P-C4' energy: -6.475 flat angles C4'-P-C4' energy: -7.878 flat angles P-C4'-P energy: -2.259 tors. eta vs tors. theta energy: -1.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -53.060930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.060930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.060930 (E_RNA) where: Base-Base interactions energy: -21.501 where: short stacking energy: -21.501 Base-Backbone interact. energy: -0.008 local terms energy: -31.551533 where: bonds (distance) C4'-P energy: -6.806 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.025 flat angles P-C4'-P energy: -5.050 tors. eta vs tors. theta energy: -4.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -60.028805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.028805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.028805 (E_RNA) where: Base-Base interactions energy: -25.895 where: short stacking energy: -25.895 Base-Backbone interact. energy: -0.001 local terms energy: -34.133603 where: bonds (distance) C4'-P energy: -8.672 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -7.489 flat angles P-C4'-P energy: -5.838 tors. eta vs tors. theta energy: -4.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -53.040928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.040928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.040928 (E_RNA) where: Base-Base interactions energy: -21.301 where: short stacking energy: -16.201 Base-Backbone interact. energy: -0.003 local terms energy: -31.737232 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -7.719 flat angles P-C4'-P energy: -4.932 tors. eta vs tors. theta energy: -5.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -55.773485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.773485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.773485 (E_RNA) where: Base-Base interactions energy: -25.023 where: short stacking energy: -25.023 Base-Backbone interact. energy: -0.078 local terms energy: -30.672745 where: bonds (distance) C4'-P energy: -6.966 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -8.695 flat angles P-C4'-P energy: -2.593 tors. eta vs tors. theta energy: -4.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -61.077670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.077670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.077670 (E_RNA) where: Base-Base interactions energy: -24.484 where: short stacking energy: -24.484 Base-Backbone interact. energy: -0.017 local terms energy: -36.576883 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -8.643 flat angles C4'-P-C4' energy: -8.268 flat angles P-C4'-P energy: -4.693 tors. eta vs tors. theta energy: -6.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -60.480569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.480569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.480569 (E_RNA) where: Base-Base interactions energy: -29.972 where: short stacking energy: -20.802 Base-Backbone interact. energy: -0.001 local terms energy: -30.507556 where: bonds (distance) C4'-P energy: -8.280 bonds (distance) P-C4' energy: -6.017 flat angles C4'-P-C4' energy: -6.194 flat angles P-C4'-P energy: -4.359 tors. eta vs tors. theta energy: -5.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -51.198456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.198456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.198456 (E_RNA) where: Base-Base interactions energy: -21.157 where: short stacking energy: -21.157 Base-Backbone interact. energy: -0.011 local terms energy: -30.030248 where: bonds (distance) C4'-P energy: -6.318 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.027 flat angles P-C4'-P energy: -3.874 tors. eta vs tors. theta energy: -3.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -53.460194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.460194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.460194 (E_RNA) where: Base-Base interactions energy: -29.285 where: short stacking energy: -4.757 Base-Backbone interact. energy: -0.176 local terms energy: -23.999671 where: bonds (distance) C4'-P energy: -5.362 bonds (distance) P-C4' energy: -8.128 flat angles C4'-P-C4' energy: -6.064 flat angles P-C4'-P energy: -3.263 tors. eta vs tors. theta energy: -1.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -44.764193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.764193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.764193 (E_RNA) where: Base-Base interactions energy: -17.512 where: short stacking energy: -17.512 Base-Backbone interact. energy: 0.357 local terms energy: -27.609577 where: bonds (distance) C4'-P energy: -6.976 bonds (distance) P-C4' energy: -9.028 flat angles C4'-P-C4' energy: -5.454 flat angles P-C4'-P energy: -6.722 tors. eta vs tors. theta energy: 0.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -46.557395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.557395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.557395 (E_RNA) where: Base-Base interactions energy: -16.627 where: short stacking energy: -15.678 Base-Backbone interact. energy: -0.049 local terms energy: -29.881645 where: bonds (distance) C4'-P energy: -5.025 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -6.262 flat angles P-C4'-P energy: -5.475 tors. eta vs tors. theta energy: -3.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -67.251646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.251646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.251646 (E_RNA) where: Base-Base interactions energy: -37.726 where: short stacking energy: -19.207 Base-Backbone interact. energy: 1.116 local terms energy: -30.642267 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -5.907 flat angles P-C4'-P energy: -5.097 tors. eta vs tors. theta energy: -3.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -55.021030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.021030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.021030 (E_RNA) where: Base-Base interactions energy: -22.850 where: short stacking energy: -22.850 Base-Backbone interact. energy: -0.007 local terms energy: -32.163842 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -8.119 flat angles C4'-P-C4' energy: -8.757 flat angles P-C4'-P energy: -4.531 tors. eta vs tors. theta energy: -3.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -57.004449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.004449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.004449 (E_RNA) where: Base-Base interactions energy: -22.060 where: short stacking energy: -22.060 Base-Backbone interact. energy: -0.000 local terms energy: -34.944169 where: bonds (distance) C4'-P energy: -7.385 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -5.550 flat angles P-C4'-P energy: -7.287 tors. eta vs tors. theta energy: -6.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -55.416671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.416671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.416671 (E_RNA) where: Base-Base interactions energy: -22.288 where: short stacking energy: -21.574 Base-Backbone interact. energy: -0.005 local terms energy: -33.123649 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -6.765 flat angles P-C4'-P energy: -4.691 tors. eta vs tors. theta energy: -4.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -58.214717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.214717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.214717 (E_RNA) where: Base-Base interactions energy: -27.949 where: short stacking energy: -27.949 Base-Backbone interact. energy: -0.000 local terms energy: -30.265415 where: bonds (distance) C4'-P energy: -5.108 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -7.010 flat angles P-C4'-P energy: -2.239 tors. eta vs tors. theta energy: -7.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -60.828410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.828410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.828410 (E_RNA) where: Base-Base interactions energy: -27.430 where: short stacking energy: -27.430 Base-Backbone interact. energy: -0.000 local terms energy: -33.397689 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -8.129 flat angles P-C4'-P energy: -6.544 tors. eta vs tors. theta energy: -5.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -47.440225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.440225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.440225 (E_RNA) where: Base-Base interactions energy: -17.226 where: short stacking energy: -17.050 Base-Backbone interact. energy: -0.001 local terms energy: -30.212938 where: bonds (distance) C4'-P energy: -8.114 bonds (distance) P-C4' energy: -7.851 flat angles C4'-P-C4' energy: -6.393 flat angles P-C4'-P energy: -6.032 tors. eta vs tors. theta energy: -1.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -42.643350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.643350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.643350 (E_RNA) where: Base-Base interactions energy: -14.174 where: short stacking energy: -12.072 Base-Backbone interact. energy: -0.003 local terms energy: -28.466034 where: bonds (distance) C4'-P energy: -5.111 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.368 flat angles P-C4'-P energy: -5.720 tors. eta vs tors. theta energy: -3.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -43.927368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.927368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.927368 (E_RNA) where: Base-Base interactions energy: -18.361 where: short stacking energy: -18.361 Base-Backbone interact. energy: -0.021 local terms energy: -25.545313 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -5.076 flat angles C4'-P-C4' energy: -7.186 flat angles P-C4'-P energy: -4.743 tors. eta vs tors. theta energy: -0.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -36.155281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.155281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.155281 (E_RNA) where: Base-Base interactions energy: -8.960 where: short stacking energy: -8.960 Base-Backbone interact. energy: -0.014 local terms energy: -27.181269 where: bonds (distance) C4'-P energy: -6.793 bonds (distance) P-C4' energy: -7.992 flat angles C4'-P-C4' energy: -7.085 flat angles P-C4'-P energy: -5.386 tors. eta vs tors. theta energy: 0.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -77.868802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.868802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.868802 (E_RNA) where: Base-Base interactions energy: -39.111 where: short stacking energy: -27.463 Base-Backbone interact. energy: -0.007 local terms energy: -38.751281 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.338 flat angles P-C4'-P energy: -7.100 tors. eta vs tors. theta energy: -7.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -61.760755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.760755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.760755 (E_RNA) where: Base-Base interactions energy: -30.856 where: short stacking energy: -22.748 Base-Backbone interact. energy: -0.004 local terms energy: -30.900264 where: bonds (distance) C4'-P energy: -4.815 bonds (distance) P-C4' energy: -7.107 flat angles C4'-P-C4' energy: -6.814 flat angles P-C4'-P energy: -6.215 tors. eta vs tors. theta energy: -5.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -55.853775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.853775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.853775 (E_RNA) where: Base-Base interactions energy: -19.621 where: short stacking energy: -19.621 Base-Backbone interact. energy: -0.042 local terms energy: -36.190845 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -8.437 flat angles C4'-P-C4' energy: -8.165 flat angles P-C4'-P energy: -5.732 tors. eta vs tors. theta energy: -7.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -53.881192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.881192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.881192 (E_RNA) where: Base-Base interactions energy: -19.699 where: short stacking energy: -19.699 Base-Backbone interact. energy: -0.000 local terms energy: -34.182196 where: bonds (distance) C4'-P energy: -6.549 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -6.282 flat angles P-C4'-P energy: -4.792 tors. eta vs tors. theta energy: -7.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -51.827332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.827332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.827332 (E_RNA) where: Base-Base interactions energy: -22.563 where: short stacking energy: -22.563 Base-Backbone interact. energy: -0.000 local terms energy: -29.264272 where: bonds (distance) C4'-P energy: -6.317 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -4.797 flat angles P-C4'-P energy: -4.504 tors. eta vs tors. theta energy: -5.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -53.783149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.783149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.783149 (E_RNA) where: Base-Base interactions energy: -20.250 where: short stacking energy: -20.250 Base-Backbone interact. energy: -0.001 local terms energy: -33.532240 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -6.148 flat angles P-C4'-P energy: -4.829 tors. eta vs tors. theta energy: -5.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -56.480820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.480820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.480820 (E_RNA) where: Base-Base interactions energy: -23.218 where: short stacking energy: -13.814 Base-Backbone interact. energy: -0.003 local terms energy: -33.259977 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -6.002 flat angles P-C4'-P energy: -4.057 tors. eta vs tors. theta energy: -5.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -44.191763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.191763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.191763 (E_RNA) where: Base-Base interactions energy: -20.562 where: short stacking energy: -16.437 Base-Backbone interact. energy: -0.041 local terms energy: -23.588816 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -1.559 flat angles P-C4'-P energy: -2.902 tors. eta vs tors. theta energy: -3.914 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: 7 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -52.506321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.506321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.506321 (E_RNA) where: Base-Base interactions energy: -27.095 where: short stacking energy: -18.944 Base-Backbone interact. energy: -0.448 local terms energy: -24.963671 where: bonds (distance) C4'-P energy: -3.219 bonds (distance) P-C4' energy: -8.354 flat angles C4'-P-C4' energy: -7.538 flat angles P-C4'-P energy: -3.275 tors. eta vs tors. theta energy: -2.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -40.695678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.695678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.695678 (E_RNA) where: Base-Base interactions energy: -14.511 where: short stacking energy: -14.511 Base-Backbone interact. energy: -0.188 local terms energy: -25.996992 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.069 flat angles C4'-P-C4' energy: -7.040 flat angles P-C4'-P energy: -5.074 tors. eta vs tors. theta energy: -2.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -78.443381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.443381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.443381 (E_RNA) where: Base-Base interactions energy: -42.221 where: short stacking energy: -32.049 Base-Backbone interact. energy: -0.005 local terms energy: -36.217478 where: bonds (distance) C4'-P energy: -7.559 bonds (distance) P-C4' energy: -6.871 flat angles C4'-P-C4' energy: -8.955 flat angles P-C4'-P energy: -5.804 tors. eta vs tors. theta energy: -7.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -57.305137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.305137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.305137 (E_RNA) where: Base-Base interactions energy: -22.958 where: short stacking energy: -19.739 Base-Backbone interact. energy: -0.603 local terms energy: -33.744639 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -7.661 flat angles C4'-P-C4' energy: -8.024 flat angles P-C4'-P energy: -6.061 tors. eta vs tors. theta energy: -4.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -59.815897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.815897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.815897 (E_RNA) where: Base-Base interactions energy: -23.841 where: short stacking energy: -23.841 Base-Backbone interact. energy: -0.027 local terms energy: -35.947993 where: bonds (distance) C4'-P energy: -7.443 bonds (distance) P-C4' energy: -7.128 flat angles C4'-P-C4' energy: -6.038 flat angles P-C4'-P energy: -5.603 tors. eta vs tors. theta energy: -9.736 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: 4, replica: 3 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -60.290978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.290978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.290978 (E_RNA) where: Base-Base interactions energy: -27.329 where: short stacking energy: -20.219 Base-Backbone interact. energy: -0.000 local terms energy: -32.961370 where: bonds (distance) C4'-P energy: -6.007 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -8.298 flat angles P-C4'-P energy: -2.101 tors. eta vs tors. theta energy: -8.148 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: 2 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -48.714843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.714843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.714843 (E_RNA) where: Base-Base interactions energy: -19.131 where: short stacking energy: -19.131 Base-Backbone interact. energy: -0.000 local terms energy: -29.584046 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.619 flat angles C4'-P-C4' energy: -3.178 flat angles P-C4'-P energy: -3.927 tors. eta vs tors. theta energy: -6.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -55.112275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.112275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.112275 (E_RNA) where: Base-Base interactions energy: -24.573 where: short stacking energy: -24.573 Base-Backbone interact. energy: -0.029 local terms energy: -30.510737 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -6.261 flat angles C4'-P-C4' energy: -6.421 flat angles P-C4'-P energy: -3.543 tors. eta vs tors. theta energy: -6.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -56.606573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.606573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.606573 (E_RNA) where: Base-Base interactions energy: -26.403 where: short stacking energy: -21.106 Base-Backbone interact. energy: -0.676 local terms energy: -29.527964 where: bonds (distance) C4'-P energy: -7.911 bonds (distance) P-C4' energy: -7.474 flat angles C4'-P-C4' energy: -4.397 flat angles P-C4'-P energy: -5.553 tors. eta vs tors. theta energy: -4.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -42.379051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.379051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.379051 (E_RNA) where: Base-Base interactions energy: -16.448 where: short stacking energy: -16.448 Base-Backbone interact. energy: -0.020 local terms energy: -25.911182 where: bonds (distance) C4'-P energy: -6.561 bonds (distance) P-C4' energy: -7.425 flat angles C4'-P-C4' energy: -8.377 flat angles P-C4'-P energy: -1.908 tors. eta vs tors. theta energy: -1.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -49.526171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.526171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.526171 (E_RNA) where: Base-Base interactions energy: -22.660 where: short stacking energy: -21.046 Base-Backbone interact. energy: -0.100 local terms energy: -26.766775 where: bonds (distance) C4'-P energy: -6.640 bonds (distance) P-C4' energy: -6.655 flat angles C4'-P-C4' energy: -4.419 flat angles P-C4'-P energy: -2.874 tors. eta vs tors. theta energy: -6.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -50.918828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.918828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.918828 (E_RNA) where: Base-Base interactions energy: -15.674 where: short stacking energy: -15.674 Base-Backbone interact. energy: -0.050 local terms energy: -35.194165 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -8.357 flat angles P-C4'-P energy: -5.044 tors. eta vs tors. theta energy: -5.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -78.729941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.729941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.729941 (E_RNA) where: Base-Base interactions energy: -45.851 where: short stacking energy: -21.615 Base-Backbone interact. energy: -0.186 local terms energy: -32.693416 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.580 flat angles P-C4'-P energy: -3.446 tors. eta vs tors. theta energy: -4.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -65.216186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.216186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.216186 (E_RNA) where: Base-Base interactions energy: -28.763 where: short stacking energy: -28.763 Base-Backbone interact. energy: 0.436 local terms energy: -36.888906 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -7.999 flat angles P-C4'-P energy: -5.001 tors. eta vs tors. theta energy: -8.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -58.563152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.563152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.563152 (E_RNA) where: Base-Base interactions energy: -23.247 where: short stacking energy: -23.247 Base-Backbone interact. energy: -0.000 local terms energy: -35.316244 where: bonds (distance) C4'-P energy: -5.916 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -7.468 flat angles P-C4'-P energy: -5.072 tors. eta vs tors. theta energy: -8.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -62.048410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.048410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.048410 (E_RNA) where: Base-Base interactions energy: -28.972 where: short stacking energy: -28.972 Base-Backbone interact. energy: -0.004 local terms energy: -33.072135 where: bonds (distance) C4'-P energy: -6.342 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -7.219 flat angles P-C4'-P energy: -4.158 tors. eta vs tors. theta energy: -6.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -50.419943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.419943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.419943 (E_RNA) where: Base-Base interactions energy: -21.842 where: short stacking energy: -21.842 Base-Backbone interact. energy: -0.075 local terms energy: -28.502933 where: bonds (distance) C4'-P energy: -3.812 bonds (distance) P-C4' energy: -6.857 flat angles C4'-P-C4' energy: -8.690 flat angles P-C4'-P energy: -4.557 tors. eta vs tors. theta energy: -4.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -48.802657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.802657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.802657 (E_RNA) where: Base-Base interactions energy: -21.638 where: short stacking energy: -18.347 Base-Backbone interact. energy: -0.002 local terms energy: -27.162738 where: bonds (distance) C4'-P energy: -5.053 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -5.340 tors. eta vs tors. theta energy: -3.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -43.283459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.283459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.283459 (E_RNA) where: Base-Base interactions energy: -11.805 where: short stacking energy: -11.351 Base-Backbone interact. energy: 0.489 local terms energy: -31.966967 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.352 flat angles C4'-P-C4' energy: -6.490 flat angles P-C4'-P energy: -6.207 tors. eta vs tors. theta energy: -2.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -43.333192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.333192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.333192 (E_RNA) where: Base-Base interactions energy: -18.388 where: short stacking energy: -18.388 Base-Backbone interact. energy: -0.100 local terms energy: -24.845083 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -2.865 flat angles C4'-P-C4' energy: -7.423 flat angles P-C4'-P energy: -4.826 tors. eta vs tors. theta energy: -3.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -46.586869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.586869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.586869 (E_RNA) where: Base-Base interactions energy: -13.613 where: short stacking energy: -13.613 Base-Backbone interact. energy: -0.098 local terms energy: -32.876011 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -5.893 flat angles C4'-P-C4' energy: -9.057 flat angles P-C4'-P energy: -5.254 tors. eta vs tors. theta energy: -4.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -39.308361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.308361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.308361 (E_RNA) where: Base-Base interactions energy: -17.150 where: short stacking energy: -13.024 Base-Backbone interact. energy: -0.090 local terms energy: -22.067841 where: bonds (distance) C4'-P energy: -4.446 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -7.423 flat angles P-C4'-P energy: -5.538 tors. eta vs tors. theta energy: 1.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -63.295957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.295957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.295957 (E_RNA) where: Base-Base interactions energy: -30.880 where: short stacking energy: -30.880 Base-Backbone interact. energy: -0.000 local terms energy: -32.416147 where: bonds (distance) C4'-P energy: -6.209 bonds (distance) P-C4' energy: -6.731 flat angles C4'-P-C4' energy: -4.932 flat angles P-C4'-P energy: -4.907 tors. eta vs tors. theta energy: -9.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -64.806259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.806259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.806259 (E_RNA) where: Base-Base interactions energy: -36.827 where: short stacking energy: -12.697 Base-Backbone interact. energy: -0.123 local terms energy: -27.856375 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -4.839 flat angles P-C4'-P energy: -5.551 tors. eta vs tors. theta energy: -0.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -53.833066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.833066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.833066 (E_RNA) where: Base-Base interactions energy: -21.402 where: short stacking energy: -21.402 Base-Backbone interact. energy: -0.095 local terms energy: -32.336307 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -6.470 flat angles C4'-P-C4' energy: -7.950 flat angles P-C4'-P energy: -6.146 tors. eta vs tors. theta energy: -4.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -52.371933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.371933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.371933 (E_RNA) where: Base-Base interactions energy: -18.879 where: short stacking energy: -18.879 Base-Backbone interact. energy: -0.016 local terms energy: -33.476894 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -7.856 flat angles P-C4'-P energy: -5.083 tors. eta vs tors. theta energy: -3.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -45.389547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.389547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.389547 (E_RNA) where: Base-Base interactions energy: -18.147 where: short stacking energy: -18.113 Base-Backbone interact. energy: -0.039 local terms energy: -27.203402 where: bonds (distance) C4'-P energy: -4.144 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -7.373 flat angles P-C4'-P energy: -5.791 tors. eta vs tors. theta energy: -1.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -56.488882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.488882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.488882 (E_RNA) where: Base-Base interactions energy: -26.414 where: short stacking energy: -26.414 Base-Backbone interact. energy: -0.003 local terms energy: -30.072159 where: bonds (distance) C4'-P energy: -2.992 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.730 flat angles P-C4'-P energy: -5.275 tors. eta vs tors. theta energy: -5.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -54.368380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.368380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.368380 (E_RNA) where: Base-Base interactions energy: -28.370 where: short stacking energy: -15.397 Base-Backbone interact. energy: -0.110 local terms energy: -25.888377 where: bonds (distance) C4'-P energy: -4.425 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -7.957 flat angles P-C4'-P energy: -4.223 tors. eta vs tors. theta energy: -1.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -43.663254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.663254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.663254 (E_RNA) where: Base-Base interactions energy: -12.689 where: short stacking energy: -12.799 Base-Backbone interact. energy: -0.084 local terms energy: -30.889850 where: bonds (distance) C4'-P energy: -6.097 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.588 flat angles P-C4'-P energy: -5.227 tors. eta vs tors. theta energy: -2.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -48.662496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.662496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.662496 (E_RNA) where: Base-Base interactions energy: -15.257 where: short stacking energy: -15.257 Base-Backbone interact. energy: -0.059 local terms energy: -33.346133 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -8.882 flat angles P-C4'-P energy: -6.365 tors. eta vs tors. theta energy: -1.829 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: 10, replica: 10 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -40.526998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.526998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.526998 (E_RNA) where: Base-Base interactions energy: -13.972 where: short stacking energy: -13.972 Base-Backbone interact. energy: -0.074 local terms energy: -26.481143 where: bonds (distance) C4'-P energy: -7.133 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -5.521 flat angles P-C4'-P energy: -5.133 tors. eta vs tors. theta energy: 0.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -57.635788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.635788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.635788 (E_RNA) where: Base-Base interactions energy: -23.349 where: short stacking energy: -23.349 Base-Backbone interact. energy: -0.049 local terms energy: -34.238314 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -7.212 flat angles P-C4'-P energy: -5.741 tors. eta vs tors. theta energy: -5.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -66.106856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.106856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.106856 (E_RNA) where: Base-Base interactions energy: -31.499 where: short stacking energy: -31.499 Base-Backbone interact. energy: -0.000 local terms energy: -34.608132 where: bonds (distance) C4'-P energy: -6.999 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -6.187 flat angles P-C4'-P energy: -3.965 tors. eta vs tors. theta energy: -9.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -56.574697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.574697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.574697 (E_RNA) where: Base-Base interactions energy: -26.134 where: short stacking energy: -23.078 Base-Backbone interact. energy: 0.020 local terms energy: -30.460765 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -8.914 flat angles P-C4'-P energy: -2.254 tors. eta vs tors. theta energy: -3.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -61.837207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.837207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.837207 (E_RNA) where: Base-Base interactions energy: -30.964 where: short stacking energy: -15.077 Base-Backbone interact. energy: -0.022 local terms energy: -30.850974 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -5.445 flat angles C4'-P-C4' energy: -8.761 flat angles P-C4'-P energy: -4.677 tors. eta vs tors. theta energy: -4.462 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: 2 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -53.431255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.431255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.431255 (E_RNA) where: Base-Base interactions energy: -23.405 where: short stacking energy: -19.218 Base-Backbone interact. energy: -0.394 local terms energy: -29.632036 where: bonds (distance) C4'-P energy: -4.286 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -8.598 flat angles P-C4'-P energy: -4.624 tors. eta vs tors. theta energy: -4.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -45.311878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.311878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.311878 (E_RNA) where: Base-Base interactions energy: -14.218 where: short stacking energy: -13.245 Base-Backbone interact. energy: -0.062 local terms energy: -31.032133 where: bonds (distance) C4'-P energy: -6.271 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.153 flat angles P-C4'-P energy: -3.394 tors. eta vs tors. theta energy: -5.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -45.693328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.693328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.693328 (E_RNA) where: Base-Base interactions energy: -20.370 where: short stacking energy: -20.370 Base-Backbone interact. energy: 0.397 local terms energy: -25.720763 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -5.324 flat angles P-C4'-P energy: -7.108 tors. eta vs tors. theta energy: -1.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -38.678341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.678341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.678341 (E_RNA) where: Base-Base interactions energy: -17.124 where: short stacking energy: -8.307 Base-Backbone interact. energy: -0.206 local terms energy: -21.348568 where: bonds (distance) C4'-P energy: -5.862 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -1.869 tors. eta vs tors. theta energy: 0.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -43.294213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.294213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.294213 (E_RNA) where: Base-Base interactions energy: -16.728 where: short stacking energy: -16.728 Base-Backbone interact. energy: -0.039 local terms energy: -26.527381 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -3.805 flat angles C4'-P-C4' energy: -8.565 flat angles P-C4'-P energy: -2.776 tors. eta vs tors. theta energy: -3.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -42.191541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.191541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.191541 (E_RNA) where: Base-Base interactions energy: -11.673 where: short stacking energy: -11.673 Base-Backbone interact. energy: -0.076 local terms energy: -30.443231 where: bonds (distance) C4'-P energy: -6.756 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.609 flat angles P-C4'-P energy: -4.188 tors. eta vs tors. theta energy: -2.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -74.032474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.032474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.032474 (E_RNA) where: Base-Base interactions energy: -34.126 where: short stacking energy: -34.126 Base-Backbone interact. energy: -0.000 local terms energy: -39.906005 where: bonds (distance) C4'-P energy: -6.222 bonds (distance) P-C4' energy: -7.343 flat angles C4'-P-C4' energy: -9.284 flat angles P-C4'-P energy: -5.808 tors. eta vs tors. theta energy: -11.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -64.076263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.076263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.076263 (E_RNA) where: Base-Base interactions energy: -28.554 where: short stacking energy: -28.554 Base-Backbone interact. energy: -0.000 local terms energy: -35.522107 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -8.243 flat angles P-C4'-P energy: -5.517 tors. eta vs tors. theta energy: -6.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -66.423745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.423745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.423745 (E_RNA) where: Base-Base interactions energy: -29.077 where: short stacking energy: -29.077 Base-Backbone interact. energy: -0.000 local terms energy: -37.346506 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -5.836 flat angles P-C4'-P energy: -5.984 tors. eta vs tors. theta energy: -8.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -56.170869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.170869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.170869 (E_RNA) where: Base-Base interactions energy: -25.738 where: short stacking energy: -25.738 Base-Backbone interact. energy: -0.034 local terms energy: -30.398647 where: bonds (distance) C4'-P energy: -6.024 bonds (distance) P-C4' energy: -6.983 flat angles C4'-P-C4' energy: -8.377 flat angles P-C4'-P energy: -3.990 tors. eta vs tors. theta energy: -5.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -47.497081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.497081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.497081 (E_RNA) where: Base-Base interactions energy: -20.548 where: short stacking energy: -19.320 Base-Backbone interact. energy: 0.115 local terms energy: -27.064023 where: bonds (distance) C4'-P energy: -5.857 bonds (distance) P-C4' energy: -6.815 flat angles C4'-P-C4' energy: -5.914 flat angles P-C4'-P energy: -5.375 tors. eta vs tors. theta energy: -3.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -46.954935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.954935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.954935 (E_RNA) where: Base-Base interactions energy: -20.565 where: short stacking energy: -17.862 Base-Backbone interact. energy: -0.005 local terms energy: -26.384634 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -4.790 flat angles C4'-P-C4' energy: -8.231 flat angles P-C4'-P energy: -5.718 tors. eta vs tors. theta energy: -2.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -45.448209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.448209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.448209 (E_RNA) where: Base-Base interactions energy: -21.038 where: short stacking energy: -17.423 Base-Backbone interact. energy: -0.056 local terms energy: -24.354691 where: bonds (distance) C4'-P energy: -4.677 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -6.969 flat angles P-C4'-P energy: -3.937 tors. eta vs tors. theta energy: 0.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -46.480247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.480247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.480247 (E_RNA) where: Base-Base interactions energy: -17.683 where: short stacking energy: -17.683 Base-Backbone interact. energy: -0.043 local terms energy: -28.754343 where: bonds (distance) C4'-P energy: -5.179 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -5.634 flat angles P-C4'-P energy: -3.304 tors. eta vs tors. theta energy: -6.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -46.071888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.071888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.071888 (E_RNA) where: Base-Base interactions energy: -17.208 where: short stacking energy: -17.208 Base-Backbone interact. energy: -0.007 local terms energy: -28.856576 where: bonds (distance) C4'-P energy: -3.342 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -8.582 flat angles P-C4'-P energy: -4.539 tors. eta vs tors. theta energy: -3.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -40.263962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.263962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.263962 (E_RNA) where: Base-Base interactions energy: -13.036 where: short stacking energy: -13.036 Base-Backbone interact. energy: -0.108 local terms energy: -27.120267 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -5.933 flat angles C4'-P-C4' energy: -5.742 flat angles P-C4'-P energy: -5.332 tors. eta vs tors. theta energy: -3.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -63.076312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.076312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.076312 (E_RNA) where: Base-Base interactions energy: -30.236 where: short stacking energy: -16.108 Base-Backbone interact. energy: -0.211 local terms energy: -32.629160 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -9.232 flat angles P-C4'-P energy: -6.361 tors. eta vs tors. theta energy: -1.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -80.683174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.683174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.683174 (E_RNA) where: Base-Base interactions energy: -49.100 where: short stacking energy: -21.583 Base-Backbone interact. energy: 0.422 local terms energy: -32.004667 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.161 flat angles P-C4'-P energy: -3.835 tors. eta vs tors. theta energy: -4.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -56.026645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.026645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.026645 (E_RNA) where: Base-Base interactions energy: -25.196 where: short stacking energy: -25.196 Base-Backbone interact. energy: -0.001 local terms energy: -30.830000 where: bonds (distance) C4'-P energy: -7.559 bonds (distance) P-C4' energy: -6.946 flat angles C4'-P-C4' energy: -4.339 flat angles P-C4'-P energy: -6.606 tors. eta vs tors. theta energy: -5.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -54.480075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.480075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.480075 (E_RNA) where: Base-Base interactions energy: -20.800 where: short stacking energy: -20.800 Base-Backbone interact. energy: -0.099 local terms energy: -33.581290 where: bonds (distance) C4'-P energy: -7.784 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -8.797 flat angles P-C4'-P energy: -2.220 tors. eta vs tors. theta energy: -6.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -69.494980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.494980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.494980 (E_RNA) where: Base-Base interactions energy: -34.413 where: short stacking energy: -28.992 Base-Backbone interact. energy: -0.067 local terms energy: -35.015412 where: bonds (distance) C4'-P energy: -6.504 bonds (distance) P-C4' energy: -6.371 flat angles C4'-P-C4' energy: -7.327 flat angles P-C4'-P energy: -6.825 tors. eta vs tors. theta energy: -7.987 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: 7 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -46.816841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.816841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.816841 (E_RNA) where: Base-Base interactions energy: -24.755 where: short stacking energy: -14.610 Base-Backbone interact. energy: -0.020 local terms energy: -22.042454 where: bonds (distance) C4'-P energy: -2.835 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.743 flat angles P-C4'-P energy: -4.551 tors. eta vs tors. theta energy: 0.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -45.869761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.869761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.869761 (E_RNA) where: Base-Base interactions energy: -17.991 where: short stacking energy: -17.991 Base-Backbone interact. energy: -0.002 local terms energy: -27.877144 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -4.997 flat angles P-C4'-P energy: -6.197 tors. eta vs tors. theta energy: -1.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -41.834226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.834226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.834226 (E_RNA) where: Base-Base interactions energy: -15.335 where: short stacking energy: -15.335 Base-Backbone interact. energy: -0.120 local terms energy: -26.379341 where: bonds (distance) C4'-P energy: -5.667 bonds (distance) P-C4' energy: -7.104 flat angles C4'-P-C4' energy: -5.822 flat angles P-C4'-P energy: -6.646 tors. eta vs tors. theta energy: -1.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -41.657119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.657119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.657119 (E_RNA) where: Base-Base interactions energy: -15.894 where: short stacking energy: -15.894 Base-Backbone interact. energy: -0.088 local terms energy: -25.674634 where: bonds (distance) C4'-P energy: -6.661 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -2.735 flat angles P-C4'-P energy: -3.705 tors. eta vs tors. theta energy: -2.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -38.929927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.929927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.929927 (E_RNA) where: Base-Base interactions energy: -19.581 where: short stacking energy: -6.567 Base-Backbone interact. energy: 0.132 local terms energy: -19.480959 where: bonds (distance) C4'-P energy: -6.695 bonds (distance) P-C4' energy: -7.241 flat angles C4'-P-C4' energy: -2.966 flat angles P-C4'-P energy: -2.771 tors. eta vs tors. theta energy: 0.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -75.165444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.165444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.165444 (E_RNA) where: Base-Base interactions energy: -37.316 where: short stacking energy: -21.662 Base-Backbone interact. energy: -0.001 local terms energy: -37.849088 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -7.398 flat angles P-C4'-P energy: -7.346 tors. eta vs tors. theta energy: -6.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -56.641874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.641874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.641874 (E_RNA) where: Base-Base interactions energy: -23.974 where: short stacking energy: -23.974 Base-Backbone interact. energy: 0.975 local terms energy: -33.642270 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.520 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -5.846 tors. eta vs tors. theta energy: -6.281 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: 3, replica: 5 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -57.848536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.848536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.848536 (E_RNA) where: Base-Base interactions energy: -25.512 where: short stacking energy: -25.512 Base-Backbone interact. energy: -0.009 local terms energy: -32.328264 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -6.572 flat angles C4'-P-C4' energy: -7.220 flat angles P-C4'-P energy: -5.090 tors. eta vs tors. theta energy: -4.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -59.337918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.337918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.337918 (E_RNA) where: Base-Base interactions energy: -22.639 where: short stacking energy: -22.639 Base-Backbone interact. energy: -0.002 local terms energy: -36.697324 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.920 flat angles P-C4'-P energy: -3.118 tors. eta vs tors. theta energy: -6.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -70.518738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.518738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.518738 (E_RNA) where: Base-Base interactions energy: -38.869 where: short stacking energy: -23.633 Base-Backbone interact. energy: -0.001 local terms energy: -31.648845 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -8.194 flat angles P-C4'-P energy: -5.204 tors. eta vs tors. theta energy: -2.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -51.523289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.523289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.523289 (E_RNA) where: Base-Base interactions energy: -26.305 where: short stacking energy: -19.019 Base-Backbone interact. energy: -0.002 local terms energy: -25.216224 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -7.606 flat angles C4'-P-C4' energy: -6.892 flat angles P-C4'-P energy: -4.913 tors. eta vs tors. theta energy: 1.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -48.327801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.327801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.327801 (E_RNA) where: Base-Base interactions energy: -16.884 where: short stacking energy: -16.884 Base-Backbone interact. energy: -0.002 local terms energy: -31.442301 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -3.732 flat angles P-C4'-P energy: -3.923 tors. eta vs tors. theta energy: -7.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -43.348539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.348539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.348539 (E_RNA) where: Base-Base interactions energy: -14.867 where: short stacking energy: -14.867 Base-Backbone interact. energy: -0.016 local terms energy: -28.465987 where: bonds (distance) C4'-P energy: -6.966 bonds (distance) P-C4' energy: -7.364 flat angles C4'-P-C4' energy: -8.467 flat angles P-C4'-P energy: -3.920 tors. eta vs tors. theta energy: -1.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -49.516554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.516554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.516554 (E_RNA) where: Base-Base interactions energy: -23.788 where: short stacking energy: -23.691 Base-Backbone interact. energy: -0.001 local terms energy: -25.727736 where: bonds (distance) C4'-P energy: -3.965 bonds (distance) P-C4' energy: -5.926 flat angles C4'-P-C4' energy: -6.806 flat angles P-C4'-P energy: -4.849 tors. eta vs tors. theta energy: -4.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -45.471445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.471445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.471445 (E_RNA) where: Base-Base interactions energy: -13.975 where: short stacking energy: -13.850 Base-Backbone interact. energy: -0.022 local terms energy: -31.474186 where: bonds (distance) C4'-P energy: -6.247 bonds (distance) P-C4' energy: -8.563 flat angles C4'-P-C4' energy: -7.771 flat angles P-C4'-P energy: -5.423 tors. eta vs tors. theta energy: -3.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -69.892778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.892778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.892778 (E_RNA) where: Base-Base interactions energy: -33.093 where: short stacking energy: -20.644 Base-Backbone interact. energy: -0.026 local terms energy: -36.773491 where: bonds (distance) C4'-P energy: -7.915 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.437 flat angles P-C4'-P energy: -4.379 tors. eta vs tors. theta energy: -8.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -71.341519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.341519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.341519 (E_RNA) where: Base-Base interactions energy: -31.534 where: short stacking energy: -31.534 Base-Backbone interact. energy: -0.000 local terms energy: -39.807062 where: bonds (distance) C4'-P energy: -6.710 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -7.571 flat angles P-C4'-P energy: -6.337 tors. eta vs tors. theta energy: -9.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -53.706900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.706900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.706900 (E_RNA) where: Base-Base interactions energy: -17.964 where: short stacking energy: -16.486 Base-Backbone interact. energy: -0.000 local terms energy: -35.742456 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.352 flat angles P-C4'-P energy: -5.660 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: 4, replica: 8 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -49.739093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.739093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.739093 (E_RNA) where: Base-Base interactions energy: -22.627 where: short stacking energy: -14.645 Base-Backbone interact. energy: -0.164 local terms energy: -26.948175 where: bonds (distance) C4'-P energy: -8.148 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -4.823 flat angles P-C4'-P energy: -5.485 tors. eta vs tors. theta energy: -1.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -60.135463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.135463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.135463 (E_RNA) where: Base-Base interactions energy: -32.612 where: short stacking energy: -17.946 Base-Backbone interact. energy: -0.078 local terms energy: -27.445996 where: bonds (distance) C4'-P energy: -7.082 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -6.670 flat angles P-C4'-P energy: -3.020 tors. eta vs tors. theta energy: -2.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -49.200289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.200289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.200289 (E_RNA) where: Base-Base interactions energy: -17.677 where: short stacking energy: -17.677 Base-Backbone interact. energy: -0.081 local terms energy: -31.441799 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -6.116 flat angles P-C4'-P energy: -3.837 tors. eta vs tors. theta energy: -4.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -46.464400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.464400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.464400 (E_RNA) where: Base-Base interactions energy: -18.474 where: short stacking energy: -15.152 Base-Backbone interact. energy: -0.196 local terms energy: -27.795280 where: bonds (distance) C4'-P energy: -6.019 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.452 flat angles P-C4'-P energy: -5.160 tors. eta vs tors. theta energy: -1.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -41.446379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.446379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.446379 (E_RNA) where: Base-Base interactions energy: -11.101 where: short stacking energy: -10.857 Base-Backbone interact. energy: -0.026 local terms energy: -30.319135 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.525 flat angles P-C4'-P energy: -3.049 tors. eta vs tors. theta energy: -2.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -40.525095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.525095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.525095 (E_RNA) where: Base-Base interactions energy: -11.465 where: short stacking energy: -11.465 Base-Backbone interact. energy: -0.060 local terms energy: -28.999976 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -7.216 flat angles C4'-P-C4' energy: -6.650 flat angles P-C4'-P energy: -5.816 tors. eta vs tors. theta energy: -1.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -37.505920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.505920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.505920 (E_RNA) where: Base-Base interactions energy: -13.025 where: short stacking energy: -13.025 Base-Backbone interact. energy: -0.202 local terms energy: -24.279652 where: bonds (distance) C4'-P energy: -0.993 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -7.313 flat angles P-C4'-P energy: -3.575 tors. eta vs tors. theta energy: -3.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -67.724297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.724297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.724297 (E_RNA) where: Base-Base interactions energy: -27.819 where: short stacking energy: -26.745 Base-Backbone interact. energy: -1.575 local terms energy: -38.330017 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -6.981 flat angles P-C4'-P energy: -5.689 tors. eta vs tors. theta energy: -8.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -66.911279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.911279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.911279 (E_RNA) where: Base-Base interactions energy: -34.995 where: short stacking energy: -20.855 Base-Backbone interact. energy: -0.101 local terms energy: -31.815478 where: bonds (distance) C4'-P energy: -7.559 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -8.413 flat angles P-C4'-P energy: -4.636 tors. eta vs tors. theta energy: -3.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -57.433582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.433582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.433582 (E_RNA) where: Base-Base interactions energy: -26.472 where: short stacking energy: -17.420 Base-Backbone interact. energy: -0.033 local terms energy: -30.928126 where: bonds (distance) C4'-P energy: -5.585 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -6.771 flat angles P-C4'-P energy: -4.574 tors. eta vs tors. theta energy: -5.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -73.117940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.117940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.117940 (E_RNA) where: Base-Base interactions energy: -39.772 where: short stacking energy: -22.691 Base-Backbone interact. energy: -0.256 local terms energy: -33.089975 where: bonds (distance) C4'-P energy: -6.664 bonds (distance) P-C4' energy: -7.512 flat angles C4'-P-C4' energy: -6.338 flat angles P-C4'-P energy: -4.472 tors. eta vs tors. theta energy: -8.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -53.768981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.768981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.768981 (E_RNA) where: Base-Base interactions energy: -18.806 where: short stacking energy: -18.806 Base-Backbone interact. energy: -0.051 local terms energy: -34.911273 where: bonds (distance) C4'-P energy: -7.374 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -8.120 flat angles P-C4'-P energy: -4.480 tors. eta vs tors. theta energy: -5.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -55.689256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.689256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.689256 (E_RNA) where: Base-Base interactions energy: -22.404 where: short stacking energy: -22.404 Base-Backbone interact. energy: -0.002 local terms energy: -33.282456 where: bonds (distance) C4'-P energy: -3.871 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.838 flat angles P-C4'-P energy: -5.021 tors. eta vs tors. theta energy: -6.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -49.043470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.043470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.043470 (E_RNA) where: Base-Base interactions energy: -18.848 where: short stacking energy: -8.472 Base-Backbone interact. energy: -0.132 local terms energy: -30.063309 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -5.437 flat angles C4'-P-C4' energy: -6.278 flat angles P-C4'-P energy: -5.848 tors. eta vs tors. theta energy: -3.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -54.430680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.430680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.430680 (E_RNA) where: Base-Base interactions energy: -24.506 where: short stacking energy: -11.094 Base-Backbone interact. energy: -0.002 local terms energy: -29.921932 where: bonds (distance) C4'-P energy: -6.292 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -6.789 flat angles P-C4'-P energy: -2.279 tors. eta vs tors. theta energy: -5.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -51.165715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.165715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.165715 (E_RNA) where: Base-Base interactions energy: -18.955 where: short stacking energy: -18.955 Base-Backbone interact. energy: -0.025 local terms energy: -32.185666 where: bonds (distance) C4'-P energy: -5.966 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -7.301 flat angles P-C4'-P energy: -5.499 tors. eta vs tors. theta energy: -5.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -43.060399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.060399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.060399 (E_RNA) where: Base-Base interactions energy: -12.114 where: short stacking energy: -11.474 Base-Backbone interact. energy: -0.059 local terms energy: -30.887394 where: bonds (distance) C4'-P energy: -8.283 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -4.554 flat angles P-C4'-P energy: -5.100 tors. eta vs tors. theta energy: -3.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -66.989017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.989017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.989017 (E_RNA) where: Base-Base interactions energy: -31.131 where: short stacking energy: -31.131 Base-Backbone interact. energy: -0.003 local terms energy: -35.855400 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -7.961 flat angles P-C4'-P energy: -4.945 tors. eta vs tors. theta energy: -8.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -52.156363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.156363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.156363 (E_RNA) where: Base-Base interactions energy: -20.986 where: short stacking energy: -20.572 Base-Backbone interact. energy: -0.005 local terms energy: -31.165267 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -7.027 flat angles P-C4'-P energy: -5.656 tors. eta vs tors. theta energy: -4.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -61.972995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.972995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.972995 (E_RNA) where: Base-Base interactions energy: -29.559 where: short stacking energy: -21.300 Base-Backbone interact. energy: -0.717 local terms energy: -31.697403 where: bonds (distance) C4'-P energy: -6.569 bonds (distance) P-C4' energy: -7.913 flat angles C4'-P-C4' energy: -6.532 flat angles P-C4'-P energy: -5.715 tors. eta vs tors. theta energy: -4.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -61.058369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.058369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.058369 (E_RNA) where: Base-Base interactions energy: -29.252 where: short stacking energy: -22.146 Base-Backbone interact. energy: -0.003 local terms energy: -31.803595 where: bonds (distance) C4'-P energy: -6.942 bonds (distance) P-C4' energy: -7.234 flat angles C4'-P-C4' energy: -7.850 flat angles P-C4'-P energy: -5.915 tors. eta vs tors. theta energy: -3.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -61.718999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.718999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.718999 (E_RNA) where: Base-Base interactions energy: -27.775 where: short stacking energy: -14.356 Base-Backbone interact. energy: -0.000 local terms energy: -33.943326 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -9.126 flat angles C4'-P-C4' energy: -7.001 flat angles P-C4'-P energy: -5.203 tors. eta vs tors. theta energy: -3.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -57.192911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.192911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.192911 (E_RNA) where: Base-Base interactions energy: -23.555 where: short stacking energy: -23.555 Base-Backbone interact. energy: -0.278 local terms energy: -33.359879 where: bonds (distance) C4'-P energy: -6.780 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -8.533 flat angles P-C4'-P energy: -5.878 tors. eta vs tors. theta energy: -3.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -47.721632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.721632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.721632 (E_RNA) where: Base-Base interactions energy: -19.895 where: short stacking energy: -19.895 Base-Backbone interact. energy: -0.071 local terms energy: -27.755075 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -5.901 flat angles C4'-P-C4' energy: -5.656 flat angles P-C4'-P energy: -5.758 tors. eta vs tors. theta energy: -3.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -44.978982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.978982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.978982 (E_RNA) where: Base-Base interactions energy: -21.798 where: short stacking energy: -9.868 Base-Backbone interact. energy: -0.125 local terms energy: -23.056005 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -4.615 flat angles C4'-P-C4' energy: -7.283 flat angles P-C4'-P energy: -3.294 tors. eta vs tors. theta energy: -1.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -43.216155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.216155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.216155 (E_RNA) where: Base-Base interactions energy: -18.415 where: short stacking energy: -18.415 Base-Backbone interact. energy: 0.551 local terms energy: -25.352361 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -6.613 flat angles C4'-P-C4' energy: -4.072 flat angles P-C4'-P energy: -4.034 tors. eta vs tors. theta energy: -3.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -40.966355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.966355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.966355 (E_RNA) where: Base-Base interactions energy: -14.658 where: short stacking energy: -7.117 Base-Backbone interact. energy: -0.108 local terms energy: -26.199738 where: bonds (distance) C4'-P energy: -7.187 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -6.572 flat angles P-C4'-P energy: -3.419 tors. eta vs tors. theta energy: 0.528 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: 1 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -72.973558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.973558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.973558 (E_RNA) where: Base-Base interactions energy: -33.314 where: short stacking energy: -32.840 Base-Backbone interact. energy: -0.000 local terms energy: -39.659471 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -8.431 flat angles P-C4'-P energy: -5.259 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: 2, replica: 4 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -59.771208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.771208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.771208 (E_RNA) where: Base-Base interactions energy: -26.800 where: short stacking energy: -26.800 Base-Backbone interact. energy: -0.000 local terms energy: -32.970936 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -7.435 flat angles C4'-P-C4' energy: -6.278 flat angles P-C4'-P energy: -5.508 tors. eta vs tors. theta energy: -6.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -71.590620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.590620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.590620 (E_RNA) where: Base-Base interactions energy: -37.031 where: short stacking energy: -37.031 Base-Backbone interact. energy: -0.000 local terms energy: -34.559363 where: bonds (distance) C4'-P energy: -5.783 bonds (distance) P-C4' energy: -6.696 flat angles C4'-P-C4' energy: -7.559 flat angles P-C4'-P energy: -4.398 tors. eta vs tors. theta energy: -10.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -52.099650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.099650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.099650 (E_RNA) where: Base-Base interactions energy: -23.509 where: short stacking energy: -23.509 Base-Backbone interact. energy: -0.002 local terms energy: -28.589106 where: bonds (distance) C4'-P energy: -6.851 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -6.679 flat angles P-C4'-P energy: -1.901 tors. eta vs tors. theta energy: -5.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -56.183970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.183970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.183970 (E_RNA) where: Base-Base interactions energy: -23.376 where: short stacking energy: -23.376 Base-Backbone interact. energy: -0.047 local terms energy: -32.760757 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -7.765 flat angles P-C4'-P energy: -5.660 tors. eta vs tors. theta energy: -5.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -43.004059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.004059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.004059 (E_RNA) where: Base-Base interactions energy: -17.255 where: short stacking energy: -14.814 Base-Backbone interact. energy: 0.631 local terms energy: -26.380269 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -4.698 flat angles P-C4'-P energy: -4.085 tors. eta vs tors. theta energy: -1.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -50.685357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.685357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.685357 (E_RNA) where: Base-Base interactions energy: -22.078 where: short stacking energy: -22.078 Base-Backbone interact. energy: -0.002 local terms energy: -28.605487 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -4.260 flat angles P-C4'-P energy: -2.655 tors. eta vs tors. theta energy: -4.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -46.803382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.803382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.803382 (E_RNA) where: Base-Base interactions energy: -23.357 where: short stacking energy: -13.508 Base-Backbone interact. energy: -0.090 local terms energy: -23.356736 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -3.593 flat angles P-C4'-P energy: -1.851 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: 9, replica: 2 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -47.385773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.385773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.385773 (E_RNA) where: Base-Base interactions energy: -21.629 where: short stacking energy: -14.352 Base-Backbone interact. energy: -0.049 local terms energy: -25.707388 where: bonds (distance) C4'-P energy: -3.381 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -6.280 flat angles P-C4'-P energy: -3.054 tors. eta vs tors. theta energy: -5.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -48.212408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.212408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.212408 (E_RNA) where: Base-Base interactions energy: -21.677 where: short stacking energy: -21.677 Base-Backbone interact. energy: -0.005 local terms energy: -26.530726 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -8.317 flat angles P-C4'-P energy: -3.978 tors. eta vs tors. theta energy: -4.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -62.611985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.611985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.611985 (E_RNA) where: Base-Base interactions energy: -26.600 where: short stacking energy: -26.600 Base-Backbone interact. energy: -0.001 local terms energy: -36.011101 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -7.809 flat angles P-C4'-P energy: -5.373 tors. eta vs tors. theta energy: -7.105 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: 10 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -70.092622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.092622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.092622 (E_RNA) where: Base-Base interactions energy: -33.217 where: short stacking energy: -33.217 Base-Backbone interact. energy: -0.000 local terms energy: -36.875703 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -6.759 flat angles P-C4'-P energy: -4.884 tors. eta vs tors. theta energy: -9.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -54.069402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.069402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.069402 (E_RNA) where: Base-Base interactions energy: -18.741 where: short stacking energy: -18.741 Base-Backbone interact. energy: -0.016 local terms energy: -35.312887 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -7.316 flat angles P-C4'-P energy: -5.749 tors. eta vs tors. theta energy: -7.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -50.953480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.953480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.953480 (E_RNA) where: Base-Base interactions energy: -22.394 where: short stacking energy: -22.394 Base-Backbone interact. energy: -0.234 local terms energy: -28.325443 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -5.784 flat angles C4'-P-C4' energy: -6.915 flat angles P-C4'-P energy: -4.854 tors. eta vs tors. theta energy: -3.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -55.330264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.330264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.330264 (E_RNA) where: Base-Base interactions energy: -25.900 where: short stacking energy: -25.900 Base-Backbone interact. energy: -0.007 local terms energy: -29.422813 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -5.557 flat angles C4'-P-C4' energy: -8.054 flat angles P-C4'-P energy: -2.843 tors. eta vs tors. theta energy: -5.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -54.427665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.427665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.427665 (E_RNA) where: Base-Base interactions energy: -22.877 where: short stacking energy: -15.775 Base-Backbone interact. energy: -0.051 local terms energy: -31.500362 where: bonds (distance) C4'-P energy: -6.958 bonds (distance) P-C4' energy: -7.499 flat angles C4'-P-C4' energy: -7.112 flat angles P-C4'-P energy: -4.532 tors. eta vs tors. theta energy: -5.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -44.488201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.488201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.488201 (E_RNA) where: Base-Base interactions energy: -15.558 where: short stacking energy: -15.558 Base-Backbone interact. energy: -0.000 local terms energy: -28.929863 where: bonds (distance) C4'-P energy: -7.046 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -5.278 flat angles P-C4'-P energy: -4.782 tors. eta vs tors. theta energy: -3.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -43.685051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.685051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.685051 (E_RNA) where: Base-Base interactions energy: -18.807 where: short stacking energy: -18.807 Base-Backbone interact. energy: -0.088 local terms energy: -24.790411 where: bonds (distance) C4'-P energy: -1.742 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -7.840 flat angles P-C4'-P energy: -4.807 tors. eta vs tors. theta energy: -3.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -49.057991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.057991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.057991 (E_RNA) where: Base-Base interactions energy: -29.976 where: short stacking energy: -22.096 Base-Backbone interact. energy: -0.004 local terms energy: -19.078012 where: bonds (distance) C4'-P energy: -4.736 bonds (distance) P-C4' energy: -2.799 flat angles C4'-P-C4' energy: -5.826 flat angles P-C4'-P energy: -3.084 tors. eta vs tors. theta energy: -2.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -43.001511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.001511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.001511 (E_RNA) where: Base-Base interactions energy: -17.938 where: short stacking energy: -17.938 Base-Backbone interact. energy: -0.098 local terms energy: -24.965717 where: bonds (distance) C4'-P energy: -2.865 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -7.045 flat angles P-C4'-P energy: -5.325 tors. eta vs tors. theta energy: -1.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -73.962765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.962765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.962765 (E_RNA) where: Base-Base interactions energy: -32.664 where: short stacking energy: -32.664 Base-Backbone interact. energy: -0.000 local terms energy: -41.299078 where: bonds (distance) C4'-P energy: -8.291 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -8.825 flat angles P-C4'-P energy: -5.541 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: 2, replica: 1 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -60.017174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.017174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.017174 (E_RNA) where: Base-Base interactions energy: -26.775 where: short stacking energy: -22.349 Base-Backbone interact. energy: -0.000 local terms energy: -33.242151 where: bonds (distance) C4'-P energy: -8.644 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -6.574 flat angles P-C4'-P energy: -3.978 tors. eta vs tors. theta energy: -5.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -53.222889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.222889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.222889 (E_RNA) where: Base-Base interactions energy: -23.990 where: short stacking energy: -23.990 Base-Backbone interact. energy: -0.000 local terms energy: -29.233004 where: bonds (distance) C4'-P energy: -6.061 bonds (distance) P-C4' energy: -7.413 flat angles C4'-P-C4' energy: -6.698 flat angles P-C4'-P energy: -4.305 tors. eta vs tors. theta energy: -4.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -63.354794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.354794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.354794 (E_RNA) where: Base-Base interactions energy: -30.100 where: short stacking energy: -27.009 Base-Backbone interact. energy: -0.106 local terms energy: -33.149469 where: bonds (distance) C4'-P energy: -5.108 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -7.666 flat angles P-C4'-P energy: -5.739 tors. eta vs tors. theta energy: -6.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -60.490160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.490160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.490160 (E_RNA) where: Base-Base interactions energy: -28.582 where: short stacking energy: -22.739 Base-Backbone interact. energy: -1.060 local terms energy: -30.848727 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -4.961 flat angles P-C4'-P energy: -2.184 tors. eta vs tors. theta energy: -6.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -49.661578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.661578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.661578 (E_RNA) where: Base-Base interactions energy: -18.996 where: short stacking energy: -18.996 Base-Backbone interact. energy: -0.001 local terms energy: -30.665116 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -4.870 flat angles P-C4'-P energy: -4.337 tors. eta vs tors. theta energy: -4.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -51.289397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.289397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.289397 (E_RNA) where: Base-Base interactions energy: -23.839 where: short stacking energy: -16.608 Base-Backbone interact. energy: -0.103 local terms energy: -27.346901 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -9.045 flat angles C4'-P-C4' energy: -7.598 flat angles P-C4'-P energy: -2.461 tors. eta vs tors. theta energy: -1.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -40.636475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.636475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.636475 (E_RNA) where: Base-Base interactions energy: -15.377 where: short stacking energy: -13.806 Base-Backbone interact. energy: -0.045 local terms energy: -25.214558 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -7.499 flat angles C4'-P-C4' energy: -3.792 flat angles P-C4'-P energy: -3.942 tors. eta vs tors. theta energy: -2.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -42.375683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.375683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.375683 (E_RNA) where: Base-Base interactions energy: -17.686 where: short stacking energy: -17.686 Base-Backbone interact. energy: -0.001 local terms energy: -24.687845 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -4.582 flat angles P-C4'-P energy: -4.242 tors. eta vs tors. theta energy: -1.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -39.075122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.075122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.075122 (E_RNA) where: Base-Base interactions energy: -5.957 where: short stacking energy: -4.815 Base-Backbone interact. energy: -0.116 local terms energy: -33.002256 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.301 flat angles P-C4'-P energy: -6.627 tors. eta vs tors. theta energy: -1.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -74.407257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.407257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.407257 (E_RNA) where: Base-Base interactions energy: -35.249 where: short stacking energy: -29.450 Base-Backbone interact. energy: -0.000 local terms energy: -39.158259 where: bonds (distance) C4'-P energy: -9.153 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -7.323 flat angles P-C4'-P energy: -6.051 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: 2, replica: 4 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -63.736651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.736651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.736651 (E_RNA) where: Base-Base interactions energy: -26.671 where: short stacking energy: -26.001 Base-Backbone interact. energy: -0.000 local terms energy: -37.064950 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -8.423 flat angles P-C4'-P energy: -3.986 tors. eta vs tors. theta energy: -8.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -64.647480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.647480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.647480 (E_RNA) where: Base-Base interactions energy: -29.370 where: short stacking energy: -29.370 Base-Backbone interact. energy: -0.000 local terms energy: -35.277810 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -7.568 flat angles P-C4'-P energy: -7.090 tors. eta vs tors. theta energy: -6.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -59.279399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.279399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.279399 (E_RNA) where: Base-Base interactions energy: -22.401 where: short stacking energy: -22.401 Base-Backbone interact. energy: -0.000 local terms energy: -36.878466 where: bonds (distance) C4'-P energy: -7.452 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.808 flat angles P-C4'-P energy: -5.698 tors. eta vs tors. theta energy: -5.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -53.549221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.549221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.549221 (E_RNA) where: Base-Base interactions energy: -24.452 where: short stacking energy: -24.452 Base-Backbone interact. energy: -0.001 local terms energy: -29.096558 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -6.298 flat angles P-C4'-P energy: -2.292 tors. eta vs tors. theta energy: -6.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -46.285543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.285543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.285543 (E_RNA) where: Base-Base interactions energy: -17.463 where: short stacking energy: -11.205 Base-Backbone interact. energy: -0.103 local terms energy: -28.719239 where: bonds (distance) C4'-P energy: -6.433 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -6.254 flat angles P-C4'-P energy: -5.452 tors. eta vs tors. theta energy: -1.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -50.654908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.654908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.654908 (E_RNA) where: Base-Base interactions energy: -25.288 where: short stacking energy: -11.881 Base-Backbone interact. energy: -0.137 local terms energy: -25.230002 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -7.070 flat angles C4'-P-C4' energy: -7.366 flat angles P-C4'-P energy: -6.702 tors. eta vs tors. theta energy: 1.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -43.322206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.322206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.322206 (E_RNA) where: Base-Base interactions energy: -15.300 where: short stacking energy: -15.300 Base-Backbone interact. energy: -0.008 local terms energy: -28.014017 where: bonds (distance) C4'-P energy: -5.129 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -8.057 flat angles P-C4'-P energy: -2.242 tors. eta vs tors. theta energy: -4.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -40.243015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.243015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.243015 (E_RNA) where: Base-Base interactions energy: -16.324 where: short stacking energy: -8.624 Base-Backbone interact. energy: -0.108 local terms energy: -23.811657 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.838 flat angles P-C4'-P energy: -2.853 tors. eta vs tors. theta energy: 3.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -42.732296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.732296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.732296 (E_RNA) where: Base-Base interactions energy: -15.406 where: short stacking energy: -13.632 Base-Backbone interact. energy: -0.002 local terms energy: -27.324497 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.112 flat angles C4'-P-C4' energy: -7.241 flat angles P-C4'-P energy: -3.261 tors. eta vs tors. theta energy: -1.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -70.903521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.903521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.903521 (E_RNA) where: Base-Base interactions energy: -30.324 where: short stacking energy: -30.324 Base-Backbone interact. energy: -0.000 local terms energy: -40.579126 where: bonds (distance) C4'-P energy: -8.217 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.283 flat angles P-C4'-P energy: -6.837 tors. eta vs tors. theta energy: -9.369 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: 74 Temperature: 0.950000 Total energy: -56.530108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.530108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.530108 (E_RNA) where: Base-Base interactions energy: -22.664 where: short stacking energy: -22.664 Base-Backbone interact. energy: 0.887 local terms energy: -34.752987 where: bonds (distance) C4'-P energy: -8.105 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -7.933 flat angles P-C4'-P energy: -4.104 tors. eta vs tors. theta energy: -5.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -56.771815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.771815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.771815 (E_RNA) where: Base-Base interactions energy: -20.973 where: short stacking energy: -20.973 Base-Backbone interact. energy: -0.015 local terms energy: -35.783272 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -6.895 flat angles P-C4'-P energy: -3.919 tors. eta vs tors. theta energy: -6.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -56.506004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.506004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.506004 (E_RNA) where: Base-Base interactions energy: -27.162 where: short stacking energy: -19.862 Base-Backbone interact. energy: 0.154 local terms energy: -29.498225 where: bonds (distance) C4'-P energy: -7.150 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -8.532 flat angles P-C4'-P energy: -5.335 tors. eta vs tors. theta energy: -0.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -53.367461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.367461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.367461 (E_RNA) where: Base-Base interactions energy: -22.996 where: short stacking energy: -22.996 Base-Backbone interact. energy: -0.024 local terms energy: -30.347745 where: bonds (distance) C4'-P energy: -6.061 bonds (distance) P-C4' energy: -9.035 flat angles C4'-P-C4' energy: -5.745 flat angles P-C4'-P energy: -3.676 tors. eta vs tors. theta energy: -5.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -50.869105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.869105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.869105 (E_RNA) where: Base-Base interactions energy: -19.460 where: short stacking energy: -19.460 Base-Backbone interact. energy: -0.080 local terms energy: -31.329195 where: bonds (distance) C4'-P energy: -7.228 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -8.035 flat angles P-C4'-P energy: -2.663 tors. eta vs tors. theta energy: -4.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -44.474232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.474232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.474232 (E_RNA) where: Base-Base interactions energy: -21.372 where: short stacking energy: -18.799 Base-Backbone interact. energy: 0.051 local terms energy: -23.153725 where: bonds (distance) C4'-P energy: -4.114 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -6.431 flat angles P-C4'-P energy: -1.006 tors. eta vs tors. theta energy: -4.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -52.840176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.840176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.840176 (E_RNA) where: Base-Base interactions energy: -20.335 where: short stacking energy: -20.335 Base-Backbone interact. energy: 1.164 local terms energy: -33.669248 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -3.473 flat angles P-C4'-P energy: -6.389 tors. eta vs tors. theta energy: -6.346 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: 3 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -48.279387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.279387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.279387 (E_RNA) where: Base-Base interactions energy: -18.084 where: short stacking energy: -18.084 Base-Backbone interact. energy: -0.001 local terms energy: -30.194423 where: bonds (distance) C4'-P energy: -6.193 bonds (distance) P-C4' energy: -6.278 flat angles C4'-P-C4' energy: -6.207 flat angles P-C4'-P energy: -3.024 tors. eta vs tors. theta energy: -8.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -38.975439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.975439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.975439 (E_RNA) where: Base-Base interactions energy: -14.856 where: short stacking energy: -14.214 Base-Backbone interact. energy: -0.070 local terms energy: -24.049568 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -3.253 flat angles C4'-P-C4' energy: -8.583 flat angles P-C4'-P energy: -3.538 tors. eta vs tors. theta energy: -1.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -68.023775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.023775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.023775 (E_RNA) where: Base-Base interactions energy: -35.747 where: short stacking energy: -35.747 Base-Backbone interact. energy: -0.000 local terms energy: -32.275885 where: bonds (distance) C4'-P energy: -3.813 bonds (distance) P-C4' energy: -6.244 flat angles C4'-P-C4' energy: -6.904 flat angles P-C4'-P energy: -3.747 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: 2, replica: 9 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -65.223417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.223417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.223417 (E_RNA) where: Base-Base interactions energy: -31.044 where: short stacking energy: -27.905 Base-Backbone interact. energy: -0.021 local terms energy: -34.159080 where: bonds (distance) C4'-P energy: -5.124 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -8.367 flat angles P-C4'-P energy: -6.374 tors. eta vs tors. theta energy: -6.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -64.447603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.447603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.447603 (E_RNA) where: Base-Base interactions energy: -29.340 where: short stacking energy: -25.047 Base-Backbone interact. energy: -0.001 local terms energy: -35.106601 where: bonds (distance) C4'-P energy: -6.798 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.375 flat angles P-C4'-P energy: -3.368 tors. eta vs tors. theta energy: -8.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -60.623190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.623190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.623190 (E_RNA) where: Base-Base interactions energy: -24.978 where: short stacking energy: -22.173 Base-Backbone interact. energy: -2.015 local terms energy: -33.629842 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.622 flat angles C4'-P-C4' energy: -6.854 flat angles P-C4'-P energy: -5.904 tors. eta vs tors. theta energy: -4.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -59.949538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.949538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.949538 (E_RNA) where: Base-Base interactions energy: -28.170 where: short stacking energy: -28.170 Base-Backbone interact. energy: -0.000 local terms energy: -31.779478 where: bonds (distance) C4'-P energy: -3.921 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -5.856 flat angles P-C4'-P energy: -5.818 tors. eta vs tors. theta energy: -8.661 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: 75 Temperature: 1.150000 Total energy: -51.030495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.030495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.030495 (E_RNA) where: Base-Base interactions energy: -19.975 where: short stacking energy: -19.975 Base-Backbone interact. energy: -0.000 local terms energy: -31.055090 where: bonds (distance) C4'-P energy: -7.439 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -3.848 flat angles P-C4'-P energy: -4.844 tors. eta vs tors. theta energy: -6.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -43.790862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.790862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.790862 (E_RNA) where: Base-Base interactions energy: -12.437 where: short stacking energy: -12.437 Base-Backbone interact. energy: -0.093 local terms energy: -31.260476 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -5.082 flat angles C4'-P-C4' energy: -9.145 flat angles P-C4'-P energy: -6.298 tors. eta vs tors. theta energy: -2.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -44.753270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.753270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.753270 (E_RNA) where: Base-Base interactions energy: -17.939 where: short stacking energy: -17.939 Base-Backbone interact. energy: -0.068 local terms energy: -26.745802 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.508 flat angles P-C4'-P energy: -2.708 tors. eta vs tors. theta energy: -2.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -46.190660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.190660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.190660 (E_RNA) where: Base-Base interactions energy: -17.196 where: short stacking energy: -15.654 Base-Backbone interact. energy: -0.003 local terms energy: -28.991911 where: bonds (distance) C4'-P energy: -8.466 bonds (distance) P-C4' energy: -8.345 flat angles C4'-P-C4' energy: -2.731 flat angles P-C4'-P energy: -4.476 tors. eta vs tors. theta energy: -4.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -43.871675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.871675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.871675 (E_RNA) where: Base-Base interactions energy: -15.601 where: short stacking energy: -15.601 Base-Backbone interact. energy: -0.002 local terms energy: -28.268734 where: bonds (distance) C4'-P energy: -4.749 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -4.318 flat angles P-C4'-P energy: -6.086 tors. eta vs tors. theta energy: -5.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -69.816069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.816069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.816069 (E_RNA) where: Base-Base interactions energy: -32.945 where: short stacking energy: -32.945 Base-Backbone interact. energy: -0.000 local terms energy: -36.871361 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -7.126 flat angles P-C4'-P energy: -4.316 tors. eta vs tors. theta energy: -7.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -83.745115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.745115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.745115 (E_RNA) where: Base-Base interactions energy: -44.678 where: short stacking energy: -30.082 Base-Backbone interact. energy: -0.001 local terms energy: -39.065615 where: bonds (distance) C4'-P energy: -8.581 bonds (distance) P-C4' energy: -7.851 flat angles C4'-P-C4' energy: -8.280 flat angles P-C4'-P energy: -5.534 tors. eta vs tors. theta energy: -8.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -56.480554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.480554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.480554 (E_RNA) where: Base-Base interactions energy: -24.222 where: short stacking energy: -18.707 Base-Backbone interact. energy: -0.053 local terms energy: -32.206206 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.134 flat angles P-C4'-P energy: -5.630 tors. eta vs tors. theta energy: -3.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -56.271469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.271469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.271469 (E_RNA) where: Base-Base interactions energy: -29.354 where: short stacking energy: -14.505 Base-Backbone interact. energy: -0.106 local terms energy: -26.811684 where: bonds (distance) C4'-P energy: -8.064 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.539 flat angles P-C4'-P energy: -3.227 tors. eta vs tors. theta energy: 0.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -55.628286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.628286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.628286 (E_RNA) where: Base-Base interactions energy: -22.434 where: short stacking energy: -21.661 Base-Backbone interact. energy: -0.002 local terms energy: -33.192203 where: bonds (distance) C4'-P energy: -6.172 bonds (distance) P-C4' energy: -6.588 flat angles C4'-P-C4' energy: -6.300 flat angles P-C4'-P energy: -7.971 tors. eta vs tors. theta energy: -6.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -46.614954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.614954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.614954 (E_RNA) where: Base-Base interactions energy: -20.535 where: short stacking energy: -16.305 Base-Backbone interact. energy: 0.156 local terms energy: -26.236758 where: bonds (distance) C4'-P energy: -1.283 bonds (distance) P-C4' energy: -7.947 flat angles C4'-P-C4' energy: -5.245 flat angles P-C4'-P energy: -5.732 tors. eta vs tors. theta energy: -6.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -53.724934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.724934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.724934 (E_RNA) where: Base-Base interactions energy: -21.088 where: short stacking energy: -21.088 Base-Backbone interact. energy: -0.097 local terms energy: -32.540401 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -7.568 flat angles P-C4'-P energy: -5.270 tors. eta vs tors. theta energy: -3.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -43.646726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.646726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.646726 (E_RNA) where: Base-Base interactions energy: -19.817 where: short stacking energy: -16.383 Base-Backbone interact. energy: -0.046 local terms energy: -23.782972 where: bonds (distance) C4'-P energy: -3.129 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -6.045 flat angles P-C4'-P energy: -3.608 tors. eta vs tors. theta energy: -2.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -48.063323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.063323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.063323 (E_RNA) where: Base-Base interactions energy: -19.160 where: short stacking energy: -18.667 Base-Backbone interact. energy: -0.000 local terms energy: -28.903319 where: bonds (distance) C4'-P energy: -4.267 bonds (distance) P-C4' energy: -8.771 flat angles C4'-P-C4' energy: -6.822 flat angles P-C4'-P energy: -5.180 tors. eta vs tors. theta energy: -3.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -39.514113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.514113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.514113 (E_RNA) where: Base-Base interactions energy: -12.535 where: short stacking energy: -12.535 Base-Backbone interact. energy: -0.059 local terms energy: -26.919909 where: bonds (distance) C4'-P energy: -4.114 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.362 flat angles P-C4'-P energy: -1.663 tors. eta vs tors. theta energy: -4.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -67.623824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.623824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.623824 (E_RNA) where: Base-Base interactions energy: -33.561 where: short stacking energy: -32.196 Base-Backbone interact. energy: -0.010 local terms energy: -34.052865 where: bonds (distance) C4'-P energy: -5.954 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -5.238 flat angles P-C4'-P energy: -6.171 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: 2, replica: 1 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -79.553478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.553478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.553478 (E_RNA) where: Base-Base interactions energy: -47.703 where: short stacking energy: -22.605 Base-Backbone interact. energy: -0.072 local terms energy: -31.778515 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.192 flat angles P-C4'-P energy: -6.787 tors. eta vs tors. theta energy: -1.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -75.739910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.739910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.739910 (E_RNA) where: Base-Base interactions energy: -42.633 where: short stacking energy: -27.555 Base-Backbone interact. energy: 0.538 local terms energy: -33.645072 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -6.814 flat angles P-C4'-P energy: -6.536 tors. eta vs tors. theta energy: -5.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -63.925602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.925602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.925602 (E_RNA) where: Base-Base interactions energy: -27.066 where: short stacking energy: -27.066 Base-Backbone interact. energy: -0.031 local terms energy: -36.828552 where: bonds (distance) C4'-P energy: -7.020 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -7.663 flat angles P-C4'-P energy: -7.124 tors. eta vs tors. theta energy: -7.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -63.664542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.664542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.664542 (E_RNA) where: Base-Base interactions energy: -33.367 where: short stacking energy: -25.996 Base-Backbone interact. energy: -0.022 local terms energy: -30.276125 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.788 flat angles P-C4'-P energy: -2.358 tors. eta vs tors. theta energy: -4.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -50.204943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.204943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.204943 (E_RNA) where: Base-Base interactions energy: -20.085 where: short stacking energy: -20.085 Base-Backbone interact. energy: -0.000 local terms energy: -30.119512 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -8.081 flat angles P-C4'-P energy: -4.839 tors. eta vs tors. theta energy: -1.278 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: 2 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -47.883303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.883303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.883303 (E_RNA) where: Base-Base interactions energy: -18.860 where: short stacking energy: -13.799 Base-Backbone interact. energy: 0.018 local terms energy: -29.041480 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.586 flat angles C4'-P-C4' energy: -8.445 flat angles P-C4'-P energy: -4.363 tors. eta vs tors. theta energy: -3.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -46.532459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.532459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.532459 (E_RNA) where: Base-Base interactions energy: -18.474 where: short stacking energy: -16.917 Base-Backbone interact. energy: -0.099 local terms energy: -27.960214 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -5.744 flat angles P-C4'-P energy: -3.579 tors. eta vs tors. theta energy: -2.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -54.493028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.493028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.493028 (E_RNA) where: Base-Base interactions energy: -23.138 where: short stacking energy: -23.138 Base-Backbone interact. energy: 0.311 local terms energy: -31.665856 where: bonds (distance) C4'-P energy: -5.488 bonds (distance) P-C4' energy: -9.035 flat angles C4'-P-C4' energy: -3.650 flat angles P-C4'-P energy: -7.319 tors. eta vs tors. theta energy: -6.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -41.155339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.155339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.155339 (E_RNA) where: Base-Base interactions energy: -12.511 where: short stacking energy: -0.948 Base-Backbone interact. energy: -0.113 local terms energy: -28.531985 where: bonds (distance) C4'-P energy: -6.877 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -9.371 flat angles P-C4'-P energy: -6.357 tors. eta vs tors. theta energy: 2.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -71.217340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.217340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.217340 (E_RNA) where: Base-Base interactions energy: -32.543 where: short stacking energy: -32.543 Base-Backbone interact. energy: -0.001 local terms energy: -38.673689 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -7.572 flat angles C4'-P-C4' energy: -9.326 flat angles P-C4'-P energy: -5.513 tors. eta vs tors. theta energy: -8.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -64.409656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.409656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.409656 (E_RNA) where: Base-Base interactions energy: -29.202 where: short stacking energy: -29.202 Base-Backbone interact. energy: -0.000 local terms energy: -35.207607 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -5.426 flat angles P-C4'-P energy: -6.870 tors. eta vs tors. theta energy: -7.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -73.313244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.313244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.313244 (E_RNA) where: Base-Base interactions energy: -42.284 where: short stacking energy: -27.256 Base-Backbone interact. energy: -0.045 local terms energy: -30.984027 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -7.555 flat angles P-C4'-P energy: -3.385 tors. eta vs tors. theta energy: -4.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -59.197846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.197846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.197846 (E_RNA) where: Base-Base interactions energy: -25.757 where: short stacking energy: -22.059 Base-Backbone interact. energy: -0.004 local terms energy: -33.436938 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -8.256 flat angles C4'-P-C4' energy: -7.024 flat angles P-C4'-P energy: -3.648 tors. eta vs tors. theta energy: -6.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -55.485331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.485331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.485331 (E_RNA) where: Base-Base interactions energy: -27.235 where: short stacking energy: -20.366 Base-Backbone interact. energy: -0.016 local terms energy: -28.233550 where: bonds (distance) C4'-P energy: -5.563 bonds (distance) P-C4' energy: -7.530 flat angles C4'-P-C4' energy: -6.682 flat angles P-C4'-P energy: -4.443 tors. eta vs tors. theta energy: -4.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -53.213567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.213567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.213567 (E_RNA) where: Base-Base interactions energy: -21.492 where: short stacking energy: -21.492 Base-Backbone interact. energy: -0.001 local terms energy: -31.720999 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -7.017 flat angles C4'-P-C4' energy: -7.835 flat angles P-C4'-P energy: -5.428 tors. eta vs tors. theta energy: -2.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -43.306481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.306481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.306481 (E_RNA) where: Base-Base interactions energy: -12.689 where: short stacking energy: -12.689 Base-Backbone interact. energy: -0.049 local terms energy: -30.567740 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -9.038 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -4.092 tors. eta vs tors. theta energy: -3.928 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: 8, replica: 2 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -54.467470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.467470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.467470 (E_RNA) where: Base-Base interactions energy: -28.704 where: short stacking energy: -28.704 Base-Backbone interact. energy: -0.000 local terms energy: -25.763426 where: bonds (distance) C4'-P energy: -4.375 bonds (distance) P-C4' energy: -4.531 flat angles C4'-P-C4' energy: -6.398 flat angles P-C4'-P energy: -3.074 tors. eta vs tors. theta energy: -7.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -37.963654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.963654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.963654 (E_RNA) where: Base-Base interactions energy: -12.474 where: short stacking energy: -7.945 Base-Backbone interact. energy: -0.180 local terms energy: -25.309863 where: bonds (distance) C4'-P energy: -5.920 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -5.730 flat angles P-C4'-P energy: -5.576 tors. eta vs tors. theta energy: 0.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -42.574014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.574014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.574014 (E_RNA) where: Base-Base interactions energy: -11.239 where: short stacking energy: -11.239 Base-Backbone interact. energy: -0.096 local terms energy: -31.238982 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -8.077 flat angles P-C4'-P energy: -3.200 tors. eta vs tors. theta energy: -2.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -68.226825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.226825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.226825 (E_RNA) where: Base-Base interactions energy: -29.057 where: short stacking energy: -28.564 Base-Backbone interact. energy: -0.046 local terms energy: -39.124404 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -6.337 flat angles P-C4'-P energy: -6.304 tors. eta vs tors. theta energy: -8.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -80.369738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.369738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.369738 (E_RNA) where: Base-Base interactions energy: -42.643 where: short stacking energy: -27.119 Base-Backbone interact. energy: -0.022 local terms energy: -37.704282 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -6.284 flat angles C4'-P-C4' energy: -8.451 flat angles P-C4'-P energy: -7.025 tors. eta vs tors. theta energy: -7.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -51.178788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.178788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.178788 (E_RNA) where: Base-Base interactions energy: -20.743 where: short stacking energy: -20.743 Base-Backbone interact. energy: -0.098 local terms energy: -30.338739 where: bonds (distance) C4'-P energy: -7.614 bonds (distance) P-C4' energy: -6.343 flat angles C4'-P-C4' energy: -7.187 flat angles P-C4'-P energy: -4.187 tors. eta vs tors. theta energy: -5.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -64.072521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.072521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.072521 (E_RNA) where: Base-Base interactions energy: -36.122 where: short stacking energy: -24.054 Base-Backbone interact. energy: -0.003 local terms energy: -27.947297 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -7.010 flat angles C4'-P-C4' energy: -6.810 flat angles P-C4'-P energy: -1.335 tors. eta vs tors. theta energy: -6.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -55.914736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.914736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.914736 (E_RNA) where: Base-Base interactions energy: -21.532 where: short stacking energy: -12.233 Base-Backbone interact. energy: -0.001 local terms energy: -34.380848 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.303 flat angles P-C4'-P energy: -5.995 tors. eta vs tors. theta energy: -4.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -62.033658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.033658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.033658 (E_RNA) where: Base-Base interactions energy: -32.660 where: short stacking energy: -16.989 Base-Backbone interact. energy: -0.085 local terms energy: -29.288209 where: bonds (distance) C4'-P energy: -6.885 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -6.343 flat angles P-C4'-P energy: -4.838 tors. eta vs tors. theta energy: -3.033 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: 79 Temperature: 1.200000 Total energy: -50.216449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.216449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.216449 (E_RNA) where: Base-Base interactions energy: -23.959 where: short stacking energy: -21.219 Base-Backbone interact. energy: -0.002 local terms energy: -26.255181 where: bonds (distance) C4'-P energy: -6.736 bonds (distance) P-C4' energy: -6.685 flat angles C4'-P-C4' energy: -7.784 flat angles P-C4'-P energy: -1.076 tors. eta vs tors. theta energy: -3.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -46.720971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.720971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.720971 (E_RNA) where: Base-Base interactions energy: -15.274 where: short stacking energy: -15.211 Base-Backbone interact. energy: -0.016 local terms energy: -31.430743 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -8.430 flat angles P-C4'-P energy: -4.945 tors. eta vs tors. theta energy: -2.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -43.791497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.791497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.791497 (E_RNA) where: Base-Base interactions energy: -18.426 where: short stacking energy: -17.795 Base-Backbone interact. energy: -0.010 local terms energy: -25.356193 where: bonds (distance) C4'-P energy: -4.620 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.069 flat angles P-C4'-P energy: -4.512 tors. eta vs tors. theta energy: -1.258 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: 6 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -59.717450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.717450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.717450 (E_RNA) where: Base-Base interactions energy: -24.541 where: short stacking energy: -24.541 Base-Backbone interact. energy: -0.000 local terms energy: -35.176309 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -6.541 flat angles P-C4'-P energy: -4.373 tors. eta vs tors. theta energy: -6.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -69.803935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.803935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.803935 (E_RNA) where: Base-Base interactions energy: -42.816 where: short stacking energy: -18.549 Base-Backbone interact. energy: -0.585 local terms energy: -26.403088 where: bonds (distance) C4'-P energy: -7.029 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.172 flat angles P-C4'-P energy: -4.266 tors. eta vs tors. theta energy: -0.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -65.832089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.832089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.832089 (E_RNA) where: Base-Base interactions energy: -35.138 where: short stacking energy: -14.463 Base-Backbone interact. energy: -0.915 local terms energy: -29.778887 where: bonds (distance) C4'-P energy: -7.013 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -6.307 flat angles P-C4'-P energy: -4.761 tors. eta vs tors. theta energy: -3.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -49.907906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.907906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.907906 (E_RNA) where: Base-Base interactions energy: -23.727 where: short stacking energy: -20.631 Base-Backbone interact. energy: -0.005 local terms energy: -26.175676 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -5.514 flat angles C4'-P-C4' energy: -8.016 flat angles P-C4'-P energy: -2.865 tors. eta vs tors. theta energy: -2.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -56.701363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.701363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.701363 (E_RNA) where: Base-Base interactions energy: -22.192 where: short stacking energy: -19.946 Base-Backbone interact. energy: 0.528 local terms energy: -35.037880 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -7.938 flat angles P-C4'-P energy: -6.762 tors. eta vs tors. theta energy: -5.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -51.908272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.908272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.908272 (E_RNA) where: Base-Base interactions energy: -27.216 where: short stacking energy: -12.381 Base-Backbone interact. energy: -0.052 local terms energy: -24.639764 where: bonds (distance) C4'-P energy: -6.503 bonds (distance) P-C4' energy: -6.570 flat angles C4'-P-C4' energy: -5.891 flat angles P-C4'-P energy: -4.112 tors. eta vs tors. theta energy: -1.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -52.406007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.406007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.406007 (E_RNA) where: Base-Base interactions energy: -19.773 where: short stacking energy: -19.773 Base-Backbone interact. energy: -0.005 local terms energy: -32.628439 where: bonds (distance) C4'-P energy: -5.154 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -6.614 flat angles P-C4'-P energy: -6.693 tors. eta vs tors. theta energy: -5.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -52.644127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.644127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.644127 (E_RNA) where: Base-Base interactions energy: -24.984 where: short stacking energy: -22.869 Base-Backbone interact. energy: -0.145 local terms energy: -27.514661 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -1.985 flat angles C4'-P-C4' energy: -8.407 flat angles P-C4'-P energy: -4.720 tors. eta vs tors. theta energy: -6.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -43.057400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.057400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.057400 (E_RNA) where: Base-Base interactions energy: -11.613 where: short stacking energy: -11.251 Base-Backbone interact. energy: -0.002 local terms energy: -31.442327 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -7.041 flat angles C4'-P-C4' energy: -8.203 flat angles P-C4'-P energy: -3.058 tors. eta vs tors. theta energy: -4.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -39.206512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.206512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.206512 (E_RNA) where: Base-Base interactions energy: -16.709 where: short stacking energy: -13.100 Base-Backbone interact. energy: 0.720 local terms energy: -23.217347 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -5.259 flat angles P-C4'-P energy: -6.472 tors. eta vs tors. theta energy: 2.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -40.883986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.883986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.883986 (E_RNA) where: Base-Base interactions energy: -14.056 where: short stacking energy: -10.925 Base-Backbone interact. energy: -0.019 local terms energy: -26.809044 where: bonds (distance) C4'-P energy: -6.612 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -5.590 flat angles P-C4'-P energy: -2.790 tors. eta vs tors. theta energy: -3.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -72.286840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.286840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.286840 (E_RNA) where: Base-Base interactions energy: -41.874 where: short stacking energy: -24.771 Base-Backbone interact. energy: -0.001 local terms energy: -30.411703 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -7.469 flat angles P-C4'-P energy: -3.399 tors. eta vs tors. theta energy: -3.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -61.580853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.580853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.580853 (E_RNA) where: Base-Base interactions energy: -29.478 where: short stacking energy: -29.478 Base-Backbone interact. energy: -0.000 local terms energy: -32.103045 where: bonds (distance) C4'-P energy: -6.715 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -8.003 flat angles P-C4'-P energy: -4.746 tors. eta vs tors. theta energy: -4.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -60.485469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.485469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.485469 (E_RNA) where: Base-Base interactions energy: -27.834 where: short stacking energy: -26.992 Base-Backbone interact. energy: -0.088 local terms energy: -32.563520 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -4.788 flat angles C4'-P-C4' energy: -7.399 flat angles P-C4'-P energy: -4.372 tors. eta vs tors. theta energy: -7.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -72.863039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.863039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.863039 (E_RNA) where: Base-Base interactions energy: -39.322 where: short stacking energy: -23.047 Base-Backbone interact. energy: -0.002 local terms energy: -33.539885 where: bonds (distance) C4'-P energy: -8.644 bonds (distance) P-C4' energy: -5.670 flat angles C4'-P-C4' energy: -7.405 flat angles P-C4'-P energy: -5.920 tors. eta vs tors. theta energy: -5.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -54.618854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.618854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.618854 (E_RNA) where: Base-Base interactions energy: -21.703 where: short stacking energy: -21.703 Base-Backbone interact. energy: -0.022 local terms energy: -32.894174 where: bonds (distance) C4'-P energy: -5.297 bonds (distance) P-C4' energy: -7.942 flat angles C4'-P-C4' energy: -8.916 flat angles P-C4'-P energy: -4.757 tors. eta vs tors. theta energy: -5.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -51.114569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.114569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.114569 (E_RNA) where: Base-Base interactions energy: -23.647 where: short stacking energy: -14.570 Base-Backbone interact. energy: 0.292 local terms energy: -27.758821 where: bonds (distance) C4'-P energy: -6.947 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -4.671 flat angles P-C4'-P energy: -6.728 tors. eta vs tors. theta energy: -1.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -45.944810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.944810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.944810 (E_RNA) where: Base-Base interactions energy: -14.858 where: short stacking energy: -13.091 Base-Backbone interact. energy: -0.042 local terms energy: -31.044477 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -8.093 flat angles P-C4'-P energy: -6.227 tors. eta vs tors. theta energy: -0.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -50.963612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.963612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.963612 (E_RNA) where: Base-Base interactions energy: -25.242 where: short stacking energy: -11.345 Base-Backbone interact. energy: -0.103 local terms energy: -25.619393 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -7.256 flat angles C4'-P-C4' energy: -6.554 flat angles P-C4'-P energy: -3.623 tors. eta vs tors. theta energy: 0.262 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: 81 Temperature: 1.300000 Total energy: -44.366067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.366067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.366067 (E_RNA) where: Base-Base interactions energy: -15.083 where: short stacking energy: -15.083 Base-Backbone interact. energy: -0.010 local terms energy: -29.272995 where: bonds (distance) C4'-P energy: -5.332 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -7.626 flat angles P-C4'-P energy: -4.002 tors. eta vs tors. theta energy: -4.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -39.184857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.184857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.184857 (E_RNA) where: Base-Base interactions energy: -15.166 where: short stacking energy: -10.106 Base-Backbone interact. energy: -0.080 local terms energy: -23.938635 where: bonds (distance) C4'-P energy: -3.948 bonds (distance) P-C4' energy: -6.582 flat angles C4'-P-C4' energy: -6.120 flat angles P-C4'-P energy: -4.292 tors. eta vs tors. theta energy: -2.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -67.230571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.230571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.230571 (E_RNA) where: Base-Base interactions energy: -29.921 where: short stacking energy: -29.921 Base-Backbone interact. energy: -0.000 local terms energy: -37.309409 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -8.518 flat angles P-C4'-P energy: -4.189 tors. eta vs tors. theta energy: -9.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -80.457769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.457769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.457769 (E_RNA) where: Base-Base interactions energy: -44.816 where: short stacking energy: -27.706 Base-Backbone interact. energy: -0.002 local terms energy: -35.639759 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -6.619 flat angles C4'-P-C4' energy: -6.907 flat angles P-C4'-P energy: -5.448 tors. eta vs tors. theta energy: -8.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -69.082561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.082561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.082561 (E_RNA) where: Base-Base interactions energy: -29.730 where: short stacking energy: -20.325 Base-Backbone interact. energy: 0.275 local terms energy: -39.626769 where: bonds (distance) C4'-P energy: -8.581 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.496 flat angles P-C4'-P energy: -6.235 tors. eta vs tors. theta energy: -8.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -61.443383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.443383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.443383 (E_RNA) where: Base-Base interactions energy: -32.109 where: short stacking energy: -22.628 Base-Backbone interact. energy: -0.102 local terms energy: -29.232627 where: bonds (distance) C4'-P energy: -7.204 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -5.776 flat angles P-C4'-P energy: -2.858 tors. eta vs tors. theta energy: -4.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -51.779840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.779840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.779840 (E_RNA) where: Base-Base interactions energy: -24.436 where: short stacking energy: -22.340 Base-Backbone interact. energy: -0.045 local terms energy: -27.298511 where: bonds (distance) C4'-P energy: -5.883 bonds (distance) P-C4' energy: -5.643 flat angles C4'-P-C4' energy: -6.614 flat angles P-C4'-P energy: -3.029 tors. eta vs tors. theta energy: -6.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -56.884572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.884572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.884572 (E_RNA) where: Base-Base interactions energy: -23.750 where: short stacking energy: -23.750 Base-Backbone interact. energy: -0.004 local terms energy: -33.131098 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.305 flat angles P-C4'-P energy: -6.387 tors. eta vs tors. theta energy: -4.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -55.612728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.612728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.612728 (E_RNA) where: Base-Base interactions energy: -24.142 where: short stacking energy: -23.803 Base-Backbone interact. energy: 0.248 local terms energy: -31.719245 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -5.562 flat angles P-C4'-P energy: -5.692 tors. eta vs tors. theta energy: -6.911 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: 7 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -49.479305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.479305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.479305 (E_RNA) where: Base-Base interactions energy: -23.110 where: short stacking energy: -23.110 Base-Backbone interact. energy: -0.003 local terms energy: -26.366491 where: bonds (distance) C4'-P energy: -0.852 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.226 flat angles P-C4'-P energy: -1.427 tors. eta vs tors. theta energy: -6.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -52.609995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.609995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.609995 (E_RNA) where: Base-Base interactions energy: -21.491 where: short stacking energy: -13.551 Base-Backbone interact. energy: -0.002 local terms energy: -31.117820 where: bonds (distance) C4'-P energy: -6.433 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -8.634 flat angles P-C4'-P energy: -4.870 tors. eta vs tors. theta energy: -4.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -39.784909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.784909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.784909 (E_RNA) where: Base-Base interactions energy: -16.368 where: short stacking energy: -16.368 Base-Backbone interact. energy: -0.001 local terms energy: -23.415158 where: bonds (distance) C4'-P energy: -3.059 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -8.088 flat angles P-C4'-P energy: -4.410 tors. eta vs tors. theta energy: 0.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -57.443051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.443051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.443051 (E_RNA) where: Base-Base interactions energy: -24.898 where: short stacking energy: -17.008 Base-Backbone interact. energy: -0.001 local terms energy: -32.544755 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.290 flat angles C4'-P-C4' energy: -8.211 flat angles P-C4'-P energy: -5.434 tors. eta vs tors. theta energy: -3.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -80.123060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.123060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.123060 (E_RNA) where: Base-Base interactions energy: -47.104 where: short stacking energy: -30.886 Base-Backbone interact. energy: -0.000 local terms energy: -33.018937 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -8.044 flat angles P-C4'-P energy: -4.195 tors. eta vs tors. theta energy: -6.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -69.975953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.975953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.975953 (E_RNA) where: Base-Base interactions energy: -31.180 where: short stacking energy: -31.180 Base-Backbone interact. energy: -0.000 local terms energy: -38.795639 where: bonds (distance) C4'-P energy: -4.939 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.614 flat angles P-C4'-P energy: -5.800 tors. eta vs tors. theta energy: -11.098 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: 5 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -57.881424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.881424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.881424 (E_RNA) where: Base-Base interactions energy: -25.518 where: short stacking energy: -24.919 Base-Backbone interact. energy: 0.048 local terms energy: -32.411448 where: bonds (distance) C4'-P energy: -7.728 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -5.177 flat angles P-C4'-P energy: -4.558 tors. eta vs tors. theta energy: -8.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -53.526143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.526143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.526143 (E_RNA) where: Base-Base interactions energy: -28.658 where: short stacking energy: -19.740 Base-Backbone interact. energy: -0.034 local terms energy: -24.833947 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -5.592 flat angles C4'-P-C4' energy: -7.202 flat angles P-C4'-P energy: -3.523 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: 6, replica: 6 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -46.473681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.473681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.473681 (E_RNA) where: Base-Base interactions energy: -12.252 where: short stacking energy: -12.252 Base-Backbone interact. energy: -0.052 local terms energy: -34.169926 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.678 flat angles P-C4'-P energy: -5.624 tors. eta vs tors. theta energy: -3.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -50.339649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.339649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.339649 (E_RNA) where: Base-Base interactions energy: -20.682 where: short stacking energy: -19.696 Base-Backbone interact. energy: -0.005 local terms energy: -29.653128 where: bonds (distance) C4'-P energy: -6.814 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -4.167 flat angles P-C4'-P energy: -3.697 tors. eta vs tors. theta energy: -6.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -48.125353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.125353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.125353 (E_RNA) where: Base-Base interactions energy: -20.204 where: short stacking energy: -20.204 Base-Backbone interact. energy: -0.001 local terms energy: -27.920083 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -4.889 flat angles P-C4'-P energy: -3.003 tors. eta vs tors. theta energy: -3.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -43.713766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.713766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.713766 (E_RNA) where: Base-Base interactions energy: -19.036 where: short stacking energy: -18.340 Base-Backbone interact. energy: -0.030 local terms energy: -24.647642 where: bonds (distance) C4'-P energy: -6.963 bonds (distance) P-C4' energy: -4.368 flat angles C4'-P-C4' energy: -7.260 flat angles P-C4'-P energy: -4.576 tors. eta vs tors. theta energy: -1.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -43.592884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.592884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.592884 (E_RNA) where: Base-Base interactions energy: -12.992 where: short stacking energy: -12.719 Base-Backbone interact. energy: -0.003 local terms energy: -30.598707 where: bonds (distance) C4'-P energy: -5.778 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.208 flat angles P-C4'-P energy: -4.376 tors. eta vs tors. theta energy: -4.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -85.360976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.360976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.360976 (E_RNA) where: Base-Base interactions energy: -49.792 where: short stacking energy: -24.478 Base-Backbone interact. energy: -0.368 local terms energy: -35.200367 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -8.513 flat angles P-C4'-P energy: -3.387 tors. eta vs tors. theta energy: -6.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -58.267662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.267662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.267662 (E_RNA) where: Base-Base interactions energy: -24.831 where: short stacking energy: -24.831 Base-Backbone interact. energy: -0.000 local terms energy: -33.436227 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -7.925 flat angles P-C4'-P energy: -3.913 tors. eta vs tors. theta energy: -6.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -59.163334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.163334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.163334 (E_RNA) where: Base-Base interactions energy: -27.842 where: short stacking energy: -24.504 Base-Backbone interact. energy: -0.043 local terms energy: -31.278514 where: bonds (distance) C4'-P energy: -3.229 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.456 flat angles P-C4'-P energy: -5.893 tors. eta vs tors. theta energy: -5.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -56.958653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.958653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.958653 (E_RNA) where: Base-Base interactions energy: -26.676 where: short stacking energy: -21.919 Base-Backbone interact. energy: -0.001 local terms energy: -30.282103 where: bonds (distance) C4'-P energy: -6.885 bonds (distance) P-C4' energy: -6.469 flat angles C4'-P-C4' energy: -7.391 flat angles P-C4'-P energy: -3.932 tors. eta vs tors. theta energy: -5.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -57.780402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.780402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.780402 (E_RNA) where: Base-Base interactions energy: -24.069 where: short stacking energy: -23.212 Base-Backbone interact. energy: -0.008 local terms energy: -33.703775 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.330 flat angles P-C4'-P energy: -5.708 tors. eta vs tors. theta energy: -3.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -40.828719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.828719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.828719 (E_RNA) where: Base-Base interactions energy: -14.968 where: short stacking energy: -11.073 Base-Backbone interact. energy: 1.619 local terms energy: -27.479972 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -5.962 flat angles P-C4'-P energy: -5.415 tors. eta vs tors. theta energy: 1.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -48.678689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.678689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.678689 (E_RNA) where: Base-Base interactions energy: -21.191 where: short stacking energy: -21.191 Base-Backbone interact. energy: -0.107 local terms energy: -27.380832 where: bonds (distance) C4'-P energy: -4.889 bonds (distance) P-C4' energy: -7.947 flat angles C4'-P-C4' energy: -7.667 flat angles P-C4'-P energy: -3.222 tors. eta vs tors. theta energy: -3.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -43.945062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.945062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.945062 (E_RNA) where: Base-Base interactions energy: -16.439 where: short stacking energy: -11.642 Base-Backbone interact. energy: -0.051 local terms energy: -27.454444 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -5.303 flat angles P-C4'-P energy: -3.669 tors. eta vs tors. theta energy: -2.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -43.645371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.645371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.645371 (E_RNA) where: Base-Base interactions energy: -14.620 where: short stacking energy: -14.620 Base-Backbone interact. energy: -0.089 local terms energy: -28.935864 where: bonds (distance) C4'-P energy: -5.485 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.067 flat angles P-C4'-P energy: -3.797 tors. eta vs tors. theta energy: -3.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -45.815805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.815805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.815805 (E_RNA) where: Base-Base interactions energy: -20.248 where: short stacking energy: -16.577 Base-Backbone interact. energy: -0.003 local terms energy: -25.564694 where: bonds (distance) C4'-P energy: -5.838 bonds (distance) P-C4' energy: -5.104 flat angles C4'-P-C4' energy: -7.041 flat angles P-C4'-P energy: -3.945 tors. eta vs tors. theta energy: -3.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -77.466819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.466819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.466819 (E_RNA) where: Base-Base interactions energy: -40.892 where: short stacking energy: -28.566 Base-Backbone interact. energy: -0.002 local terms energy: -36.572942 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.280 flat angles C4'-P-C4' energy: -7.443 flat angles P-C4'-P energy: -5.504 tors. eta vs tors. theta energy: -6.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -75.240348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.240348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.240348 (E_RNA) where: Base-Base interactions energy: -38.101 where: short stacking energy: -21.999 Base-Backbone interact. energy: -0.023 local terms energy: -37.116175 where: bonds (distance) C4'-P energy: -8.148 bonds (distance) P-C4' energy: -8.570 flat angles C4'-P-C4' energy: -7.556 flat angles P-C4'-P energy: -5.586 tors. eta vs tors. theta energy: -7.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -55.979910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.979910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.979910 (E_RNA) where: Base-Base interactions energy: -24.000 where: short stacking energy: -20.549 Base-Backbone interact. energy: -0.082 local terms energy: -31.897597 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.417 flat angles P-C4'-P energy: -3.196 tors. eta vs tors. theta energy: -4.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -55.259483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.259483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.259483 (E_RNA) where: Base-Base interactions energy: -20.160 where: short stacking energy: -20.160 Base-Backbone interact. energy: -0.000 local terms energy: -35.098926 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -8.429 flat angles P-C4'-P energy: -4.353 tors. eta vs tors. theta energy: -5.122 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: 8 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -59.759580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.759580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.759580 (E_RNA) where: Base-Base interactions energy: -28.094 where: short stacking energy: -13.388 Base-Backbone interact. energy: -0.046 local terms energy: -31.619130 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -4.565 flat angles P-C4'-P energy: -4.605 tors. eta vs tors. theta energy: -6.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -50.901982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.901982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.901982 (E_RNA) where: Base-Base interactions energy: -17.886 where: short stacking energy: -17.886 Base-Backbone interact. energy: -0.008 local terms energy: -33.008020 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -6.749 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: -4.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -44.340161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.340161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.340161 (E_RNA) where: Base-Base interactions energy: -14.345 where: short stacking energy: -12.040 Base-Backbone interact. energy: -0.034 local terms energy: -29.961376 where: bonds (distance) C4'-P energy: -6.022 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.446 flat angles P-C4'-P energy: -4.842 tors. eta vs tors. theta energy: -3.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -42.934573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.934573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.934573 (E_RNA) where: Base-Base interactions energy: -15.525 where: short stacking energy: -15.525 Base-Backbone interact. energy: -0.048 local terms energy: -27.361635 where: bonds (distance) C4'-P energy: -2.758 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.831 flat angles P-C4'-P energy: -6.625 tors. eta vs tors. theta energy: -1.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -41.523171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.523171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.523171 (E_RNA) where: Base-Base interactions energy: -11.905 where: short stacking energy: -10.862 Base-Backbone interact. energy: -0.038 local terms energy: -29.580456 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -6.140 flat angles C4'-P-C4' energy: -8.064 flat angles P-C4'-P energy: -2.819 tors. eta vs tors. theta energy: -3.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -44.657292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.657292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.657292 (E_RNA) where: Base-Base interactions energy: -16.545 where: short stacking energy: -14.048 Base-Backbone interact. energy: -0.080 local terms energy: -28.031623 where: bonds (distance) C4'-P energy: -7.907 bonds (distance) P-C4' energy: -6.345 flat angles C4'-P-C4' energy: -4.884 flat angles P-C4'-P energy: -6.722 tors. eta vs tors. theta energy: -2.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -63.678743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.678743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.678743 (E_RNA) where: Base-Base interactions energy: -29.973 where: short stacking energy: -16.680 Base-Backbone interact. energy: -0.118 local terms energy: -33.588251 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -7.582 flat angles P-C4'-P energy: -7.668 tors. eta vs tors. theta energy: -2.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -76.349820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.349820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.349820 (E_RNA) where: Base-Base interactions energy: -41.596 where: short stacking energy: -26.726 Base-Backbone interact. energy: -0.024 local terms energy: -34.729750 where: bonds (distance) C4'-P energy: -6.979 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.800 flat angles P-C4'-P energy: -4.383 tors. eta vs tors. theta energy: -7.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -62.669897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.669897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.669897 (E_RNA) where: Base-Base interactions energy: -31.173 where: short stacking energy: -25.008 Base-Backbone interact. energy: -0.273 local terms energy: -31.223375 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -5.011 flat angles C4'-P-C4' energy: -9.091 flat angles P-C4'-P energy: -5.650 tors. eta vs tors. theta energy: -4.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -66.794389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.794389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.794389 (E_RNA) where: Base-Base interactions energy: -28.352 where: short stacking energy: -28.352 Base-Backbone interact. energy: -0.000 local terms energy: -38.441800 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -8.424 flat angles P-C4'-P energy: -4.450 tors. eta vs tors. theta energy: -9.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -52.049835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.049835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.049835 (E_RNA) where: Base-Base interactions energy: -20.522 where: short stacking energy: -20.522 Base-Backbone interact. energy: -0.011 local terms energy: -31.517004 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -7.202 flat angles C4'-P-C4' energy: -5.600 flat angles P-C4'-P energy: -4.776 tors. eta vs tors. theta energy: -6.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -45.080651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.080651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.080651 (E_RNA) where: Base-Base interactions energy: -17.878 where: short stacking energy: -17.878 Base-Backbone interact. energy: 0.801 local terms energy: -28.003402 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -7.240 flat angles C4'-P-C4' energy: -5.583 flat angles P-C4'-P energy: -4.379 tors. eta vs tors. theta energy: -2.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -52.795180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.795180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.795180 (E_RNA) where: Base-Base interactions energy: -18.547 where: short stacking energy: -18.547 Base-Backbone interact. energy: -0.000 local terms energy: -34.247805 where: bonds (distance) C4'-P energy: -6.173 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -7.949 flat angles P-C4'-P energy: -3.233 tors. eta vs tors. theta energy: -7.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -43.809510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.809510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.809510 (E_RNA) where: Base-Base interactions energy: -20.001 where: short stacking energy: -15.850 Base-Backbone interact. energy: -0.027 local terms energy: -23.781842 where: bonds (distance) C4'-P energy: -5.829 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -3.569 flat angles P-C4'-P energy: -5.066 tors. eta vs tors. theta energy: -1.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -44.778480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.778480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.778480 (E_RNA) where: Base-Base interactions energy: -20.743 where: short stacking energy: -13.673 Base-Backbone interact. energy: -0.065 local terms energy: -23.970574 where: bonds (distance) C4'-P energy: -4.806 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -5.802 flat angles P-C4'-P energy: -6.380 tors. eta vs tors. theta energy: -0.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -43.673825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.673825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.673825 (E_RNA) where: Base-Base interactions energy: -16.842 where: short stacking energy: -16.360 Base-Backbone interact. energy: 0.099 local terms energy: -26.930509 where: bonds (distance) C4'-P energy: -6.744 bonds (distance) P-C4' energy: -9.804 flat angles C4'-P-C4' energy: -6.782 flat angles P-C4'-P energy: -1.447 tors. eta vs tors. theta energy: -2.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -58.359563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.359563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.359563 (E_RNA) where: Base-Base interactions energy: -28.758 where: short stacking energy: -18.450 Base-Backbone interact. energy: -0.253 local terms energy: -29.348632 where: bonds (distance) C4'-P energy: -7.214 bonds (distance) P-C4' energy: -8.414 flat angles C4'-P-C4' energy: -4.670 flat angles P-C4'-P energy: -6.443 tors. eta vs tors. theta energy: -2.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -74.330047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.330047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.330047 (E_RNA) where: Base-Base interactions energy: -40.120 where: short stacking energy: -24.612 Base-Backbone interact. energy: -0.010 local terms energy: -34.200191 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -5.495 flat angles C4'-P-C4' energy: -8.909 flat angles P-C4'-P energy: -6.278 tors. eta vs tors. theta energy: -6.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -55.765394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.765394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.765394 (E_RNA) where: Base-Base interactions energy: -21.147 where: short stacking energy: -20.878 Base-Backbone interact. energy: -0.002 local terms energy: -34.616387 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.234 flat angles P-C4'-P energy: -7.023 tors. eta vs tors. theta energy: -2.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -56.411843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.411843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.411843 (E_RNA) where: Base-Base interactions energy: -21.461 where: short stacking energy: -18.450 Base-Backbone interact. energy: -0.100 local terms energy: -34.850943 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.650 flat angles P-C4'-P energy: -3.013 tors. eta vs tors. theta energy: -7.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -51.172569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.172569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.172569 (E_RNA) where: Base-Base interactions energy: -18.689 where: short stacking energy: -18.689 Base-Backbone interact. energy: -0.000 local terms energy: -32.483949 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.812 flat angles C4'-P-C4' energy: -6.427 flat angles P-C4'-P energy: -4.517 tors. eta vs tors. theta energy: -5.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -47.786313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.786313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.786313 (E_RNA) where: Base-Base interactions energy: -16.553 where: short stacking energy: -17.343 Base-Backbone interact. energy: -0.042 local terms energy: -31.191125 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -5.745 flat angles P-C4'-P energy: -5.581 tors. eta vs tors. theta energy: -2.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -52.751490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.751490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.751490 (E_RNA) where: Base-Base interactions energy: -20.873 where: short stacking energy: -18.573 Base-Backbone interact. energy: -0.037 local terms energy: -31.841916 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -5.103 flat angles C4'-P-C4' energy: -7.180 flat angles P-C4'-P energy: -7.283 tors. eta vs tors. theta energy: -4.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -44.437651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.437651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.437651 (E_RNA) where: Base-Base interactions energy: -15.050 where: short stacking energy: -15.050 Base-Backbone interact. energy: -0.200 local terms energy: -29.187358 where: bonds (distance) C4'-P energy: -6.681 bonds (distance) P-C4' energy: -9.041 flat angles C4'-P-C4' energy: -4.192 flat angles P-C4'-P energy: -4.929 tors. eta vs tors. theta energy: -4.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -40.097169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.097169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.097169 (E_RNA) where: Base-Base interactions energy: -12.357 where: short stacking energy: -12.457 Base-Backbone interact. energy: -0.162 local terms energy: -27.578101 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -8.880 flat angles C4'-P-C4' energy: -7.074 flat angles P-C4'-P energy: -5.967 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: 10, replica: 9 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -41.393543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.393543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.393543 (E_RNA) where: Base-Base interactions energy: -17.671 where: short stacking energy: -7.274 Base-Backbone interact. energy: -0.007 local terms energy: -23.715201 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.113 flat angles P-C4'-P energy: -2.125 tors. eta vs tors. theta energy: 1.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -78.064481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.064481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.064481 (E_RNA) where: Base-Base interactions energy: -43.272 where: short stacking energy: -24.347 Base-Backbone interact. energy: -0.003 local terms energy: -34.789367 where: bonds (distance) C4'-P energy: -6.868 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -8.483 flat angles P-C4'-P energy: -4.793 tors. eta vs tors. theta energy: -5.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -60.526021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.526021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.526021 (E_RNA) where: Base-Base interactions energy: -26.976 where: short stacking energy: -23.047 Base-Backbone interact. energy: -0.038 local terms energy: -33.512332 where: bonds (distance) C4'-P energy: -6.076 bonds (distance) P-C4' energy: -8.569 flat angles C4'-P-C4' energy: -7.533 flat angles P-C4'-P energy: -6.113 tors. eta vs tors. theta energy: -5.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -62.741118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.741118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.741118 (E_RNA) where: Base-Base interactions energy: -27.029 where: short stacking energy: -27.029 Base-Backbone interact. energy: -0.164 local terms energy: -35.548417 where: bonds (distance) C4'-P energy: -7.745 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.392 flat angles P-C4'-P energy: -5.632 tors. eta vs tors. theta energy: -6.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -51.053315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.053315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.053315 (E_RNA) where: Base-Base interactions energy: -17.772 where: short stacking energy: -16.873 Base-Backbone interact. energy: -0.000 local terms energy: -33.281592 where: bonds (distance) C4'-P energy: -5.287 bonds (distance) P-C4' energy: -7.498 flat angles C4'-P-C4' energy: -9.162 flat angles P-C4'-P energy: -5.916 tors. eta vs tors. theta energy: -5.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -47.798851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.798851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.798851 (E_RNA) where: Base-Base interactions energy: -17.470 where: short stacking energy: -14.066 Base-Backbone interact. energy: -0.247 local terms energy: -30.081319 where: bonds (distance) C4'-P energy: -7.369 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -8.688 flat angles P-C4'-P energy: -5.884 tors. eta vs tors. theta energy: -2.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -47.731778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.731778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.731778 (E_RNA) where: Base-Base interactions energy: -23.869 where: short stacking energy: -15.012 Base-Backbone interact. energy: -0.039 local terms energy: -23.824122 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.287 flat angles C4'-P-C4' energy: -8.242 flat angles P-C4'-P energy: -3.303 tors. eta vs tors. theta energy: -0.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -51.499792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.499792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.499792 (E_RNA) where: Base-Base interactions energy: -19.714 where: short stacking energy: -19.714 Base-Backbone interact. energy: -0.001 local terms energy: -31.785434 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -7.470 flat angles P-C4'-P energy: -4.839 tors. eta vs tors. theta energy: -2.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -48.922746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.922746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.922746 (E_RNA) where: Base-Base interactions energy: -18.641 where: short stacking energy: -18.641 Base-Backbone interact. energy: -0.070 local terms energy: -30.212051 where: bonds (distance) C4'-P energy: -6.947 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.326 flat angles P-C4'-P energy: -4.994 tors. eta vs tors. theta energy: -2.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -44.852195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.852195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.852195 (E_RNA) where: Base-Base interactions energy: -17.936 where: short stacking energy: -17.936 Base-Backbone interact. energy: -0.177 local terms energy: -26.739180 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -5.191 flat angles C4'-P-C4' energy: -6.591 flat angles P-C4'-P energy: -6.429 tors. eta vs tors. theta energy: -3.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -38.214407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.214407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.214407 (E_RNA) where: Base-Base interactions energy: -15.583 where: short stacking energy: -11.285 Base-Backbone interact. energy: -0.005 local terms energy: -22.626414 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -6.609 flat angles P-C4'-P energy: 0.290 tors. eta vs tors. theta energy: 0.267 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: 10 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -81.743125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.743125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.743125 (E_RNA) where: Base-Base interactions energy: -44.693 where: short stacking energy: -27.041 Base-Backbone interact. energy: -0.001 local terms energy: -37.049383 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -8.554 flat angles P-C4'-P energy: -6.037 tors. eta vs tors. theta energy: -5.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -75.578256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.578256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.578256 (E_RNA) where: Base-Base interactions energy: -38.151 where: short stacking energy: -26.245 Base-Backbone interact. energy: -0.000 local terms energy: -37.427341 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -7.718 flat angles P-C4'-P energy: -4.641 tors. eta vs tors. theta energy: -9.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -76.806942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.806942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.806942 (E_RNA) where: Base-Base interactions energy: -39.246 where: short stacking energy: -32.161 Base-Backbone interact. energy: -0.709 local terms energy: -36.851327 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -9.033 flat angles P-C4'-P energy: -6.306 tors. eta vs tors. theta energy: -7.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -56.748117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.748117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.748117 (E_RNA) where: Base-Base interactions energy: -21.615 where: short stacking energy: -21.615 Base-Backbone interact. energy: -0.000 local terms energy: -35.133179 where: bonds (distance) C4'-P energy: -6.053 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.394 flat angles P-C4'-P energy: -2.287 tors. eta vs tors. theta energy: -9.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -56.878902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.878902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.878902 (E_RNA) where: Base-Base interactions energy: -23.021 where: short stacking energy: -23.021 Base-Backbone interact. energy: -0.000 local terms energy: -33.857930 where: bonds (distance) C4'-P energy: -6.511 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -6.472 flat angles P-C4'-P energy: -5.550 tors. eta vs tors. theta energy: -7.114 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: 6, replica: 7 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -54.519346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.519346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.519346 (E_RNA) where: Base-Base interactions energy: -26.869 where: short stacking energy: -17.793 Base-Backbone interact. energy: -0.013 local terms energy: -27.637436 where: bonds (distance) C4'-P energy: -6.627 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -4.583 flat angles P-C4'-P energy: -2.048 tors. eta vs tors. theta energy: -5.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -52.367422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.367422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.367422 (E_RNA) where: Base-Base interactions energy: -22.039 where: short stacking energy: -21.744 Base-Backbone interact. energy: -0.059 local terms energy: -30.269817 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -6.961 flat angles P-C4'-P energy: -3.522 tors. eta vs tors. theta energy: -5.655 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: 3 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -49.084718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.084718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.084718 (E_RNA) where: Base-Base interactions energy: -19.284 where: short stacking energy: -14.584 Base-Backbone interact. energy: -0.009 local terms energy: -29.791584 where: bonds (distance) C4'-P energy: -5.741 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -4.597 flat angles P-C4'-P energy: -7.301 tors. eta vs tors. theta energy: -4.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -42.836163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.836163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.836163 (E_RNA) where: Base-Base interactions energy: -17.275 where: short stacking energy: -17.275 Base-Backbone interact. energy: 0.802 local terms energy: -26.363515 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -8.408 flat angles P-C4'-P energy: -6.052 tors. eta vs tors. theta energy: -0.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -39.731291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.731291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.731291 (E_RNA) where: Base-Base interactions energy: -15.475 where: short stacking energy: -8.801 Base-Backbone interact. energy: -0.071 local terms energy: -24.184435 where: bonds (distance) C4'-P energy: -7.369 bonds (distance) P-C4' energy: -6.347 flat angles C4'-P-C4' energy: -7.780 flat angles P-C4'-P energy: -3.568 tors. eta vs tors. theta energy: 0.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -70.051187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.051187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.051187 (E_RNA) where: Base-Base interactions energy: -37.780 where: short stacking energy: -24.673 Base-Backbone interact. energy: -0.014 local terms energy: -32.257233 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -8.266 flat angles P-C4'-P energy: -5.666 tors. eta vs tors. theta energy: -3.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -85.042248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.042248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.042248 (E_RNA) where: Base-Base interactions energy: -49.895 where: short stacking energy: -27.832 Base-Backbone interact. energy: 0.640 local terms energy: -35.786743 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.076 flat angles C4'-P-C4' energy: -8.434 flat angles P-C4'-P energy: -6.549 tors. eta vs tors. theta energy: -4.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -58.509254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.509254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.509254 (E_RNA) where: Base-Base interactions energy: -23.999 where: short stacking energy: -23.999 Base-Backbone interact. energy: -0.002 local terms energy: -34.508457 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.605 flat angles P-C4'-P energy: -6.907 tors. eta vs tors. theta energy: -4.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -54.553758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.553758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.553758 (E_RNA) where: Base-Base interactions energy: -28.395 where: short stacking energy: -25.176 Base-Backbone interact. energy: 1.464 local terms energy: -27.622084 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -4.985 flat angles C4'-P-C4' energy: -6.383 flat angles P-C4'-P energy: -3.242 tors. eta vs tors. theta energy: -4.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -58.429991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.429991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.429991 (E_RNA) where: Base-Base interactions energy: -26.107 where: short stacking energy: -16.313 Base-Backbone interact. energy: 0.251 local terms energy: -32.573389 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.965 flat angles P-C4'-P energy: -4.292 tors. eta vs tors. theta energy: -3.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -45.359180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.359180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.359180 (E_RNA) where: Base-Base interactions energy: -15.671 where: short stacking energy: -15.671 Base-Backbone interact. energy: -0.002 local terms energy: -29.685586 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.922 flat angles P-C4'-P energy: -3.691 tors. eta vs tors. theta energy: -1.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -41.508087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.508087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.508087 (E_RNA) where: Base-Base interactions energy: -16.504 where: short stacking energy: -11.341 Base-Backbone interact. energy: -0.212 local terms energy: -24.792770 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -6.033 flat angles C4'-P-C4' energy: -8.328 flat angles P-C4'-P energy: -4.174 tors. eta vs tors. theta energy: 2.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -42.255972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.255972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.255972 (E_RNA) where: Base-Base interactions energy: -19.113 where: short stacking energy: -16.530 Base-Backbone interact. energy: -0.093 local terms energy: -23.050267 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -8.351 flat angles C4'-P-C4' energy: -3.590 flat angles P-C4'-P energy: -3.974 tors. eta vs tors. theta energy: -1.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -47.314771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.314771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.314771 (E_RNA) where: Base-Base interactions energy: -18.927 where: short stacking energy: -9.210 Base-Backbone interact. energy: -0.104 local terms energy: -28.284275 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -6.963 flat angles C4'-P-C4' energy: -8.177 flat angles P-C4'-P energy: -4.528 tors. eta vs tors. theta energy: -2.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -42.870153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.870153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.870153 (E_RNA) where: Base-Base interactions energy: -20.644 where: short stacking energy: -10.626 Base-Backbone interact. energy: -0.032 local terms energy: -22.194343 where: bonds (distance) C4'-P energy: -5.129 bonds (distance) P-C4' energy: -4.064 flat angles C4'-P-C4' energy: -7.053 flat angles P-C4'-P energy: -6.019 tors. eta vs tors. theta energy: 0.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -74.096093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.096093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.096093 (E_RNA) where: Base-Base interactions energy: -36.263 where: short stacking energy: -33.285 Base-Backbone interact. energy: -0.000 local terms energy: -37.833445 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.079 flat angles P-C4'-P energy: -6.220 tors. eta vs tors. theta energy: -7.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -78.173580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.173580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.173580 (E_RNA) where: Base-Base interactions energy: -46.728 where: short stacking energy: -27.737 Base-Backbone interact. energy: 0.164 local terms energy: -31.609394 where: bonds (distance) C4'-P energy: -6.293 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -8.057 flat angles P-C4'-P energy: -3.838 tors. eta vs tors. theta energy: -4.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -54.970229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.970229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.970229 (E_RNA) where: Base-Base interactions energy: -21.694 where: short stacking energy: -21.694 Base-Backbone interact. energy: 0.030 local terms energy: -33.306429 where: bonds (distance) C4'-P energy: -6.376 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.302 flat angles P-C4'-P energy: -5.818 tors. eta vs tors. theta energy: -3.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -57.301206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.301206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.301206 (E_RNA) where: Base-Base interactions energy: -23.697 where: short stacking energy: -18.881 Base-Backbone interact. energy: 0.436 local terms energy: -34.040023 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.815 flat angles P-C4'-P energy: -6.911 tors. eta vs tors. theta energy: -1.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -50.930899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.930899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.930899 (E_RNA) where: Base-Base interactions energy: -19.840 where: short stacking energy: -18.900 Base-Backbone interact. energy: -0.922 local terms energy: -30.168735 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -7.732 flat angles C4'-P-C4' energy: -7.227 flat angles P-C4'-P energy: -4.711 tors. eta vs tors. theta energy: -5.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -46.465741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.465741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.465741 (E_RNA) where: Base-Base interactions energy: -13.066 where: short stacking energy: -13.066 Base-Backbone interact. energy: -0.006 local terms energy: -33.394109 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.016 flat angles P-C4'-P energy: -5.394 tors. eta vs tors. theta energy: -2.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -58.074235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.074235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.074235 (E_RNA) where: Base-Base interactions energy: -27.143 where: short stacking energy: -27.143 Base-Backbone interact. energy: -0.000 local terms energy: -30.931468 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -7.369 flat angles P-C4'-P energy: -1.489 tors. eta vs tors. theta energy: -8.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -45.003989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.003989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.003989 (E_RNA) where: Base-Base interactions energy: -15.702 where: short stacking energy: -15.702 Base-Backbone interact. energy: -0.081 local terms energy: -29.221263 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -5.953 flat angles C4'-P-C4' energy: -7.562 flat angles P-C4'-P energy: -4.137 tors. eta vs tors. theta energy: -3.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -49.614163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.614163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.614163 (E_RNA) where: Base-Base interactions energy: -19.578 where: short stacking energy: -4.441 Base-Backbone interact. energy: -0.118 local terms energy: -29.918397 where: bonds (distance) C4'-P energy: -8.006 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -5.847 flat angles P-C4'-P energy: -4.844 tors. eta vs tors. theta energy: -3.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -41.206016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.206016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.206016 (E_RNA) where: Base-Base interactions energy: -17.774 where: short stacking energy: -17.774 Base-Backbone interact. energy: -0.001 local terms energy: -23.431119 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -3.653 flat angles C4'-P-C4' energy: -2.838 flat angles P-C4'-P energy: -3.887 tors. eta vs tors. theta energy: -5.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -69.286807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.286807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.286807 (E_RNA) where: Base-Base interactions energy: -30.454 where: short stacking energy: -30.454 Base-Backbone interact. energy: -0.000 local terms energy: -38.832544 where: bonds (distance) C4'-P energy: -8.582 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -9.202 flat angles P-C4'-P energy: -4.632 tors. eta vs tors. theta energy: -8.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -68.882052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.882052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.882052 (E_RNA) where: Base-Base interactions energy: -30.253 where: short stacking energy: -30.253 Base-Backbone interact. energy: -0.000 local terms energy: -38.629205 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -6.130 flat angles P-C4'-P energy: -6.415 tors. eta vs tors. theta energy: -9.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -76.790210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.790210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.790210 (E_RNA) where: Base-Base interactions energy: -44.259 where: short stacking energy: -28.115 Base-Backbone interact. energy: 1.403 local terms energy: -33.934104 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -8.080 flat angles P-C4'-P energy: -5.890 tors. eta vs tors. theta energy: -3.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -49.735631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.735631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.735631 (E_RNA) where: Base-Base interactions energy: -17.609 where: short stacking energy: -17.609 Base-Backbone interact. energy: -0.063 local terms energy: -32.064366 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -7.992 flat angles P-C4'-P energy: -5.417 tors. eta vs tors. theta energy: -4.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -57.599041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.599041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.599041 (E_RNA) where: Base-Base interactions energy: -23.302 where: short stacking energy: -23.302 Base-Backbone interact. energy: -0.097 local terms energy: -34.200333 where: bonds (distance) C4'-P energy: -6.851 bonds (distance) P-C4' energy: -7.318 flat angles C4'-P-C4' energy: -7.661 flat angles P-C4'-P energy: -4.802 tors. eta vs tors. theta energy: -7.569 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: 4 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -55.133829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.133829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.133829 (E_RNA) where: Base-Base interactions energy: -21.554 where: short stacking energy: -21.554 Base-Backbone interact. energy: -0.021 local terms energy: -33.558807 where: bonds (distance) C4'-P energy: -5.166 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -8.973 flat angles P-C4'-P energy: -6.143 tors. eta vs tors. theta energy: -4.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -48.980874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.980874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.980874 (E_RNA) where: Base-Base interactions energy: -14.359 where: short stacking energy: -14.359 Base-Backbone interact. energy: -0.000 local terms energy: -34.622019 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.460 flat angles P-C4'-P energy: -4.578 tors. eta vs tors. theta energy: -4.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -47.424840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.424840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.424840 (E_RNA) where: Base-Base interactions energy: -21.323 where: short stacking energy: -16.317 Base-Backbone interact. energy: -0.016 local terms energy: -26.086479 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -4.119 flat angles C4'-P-C4' energy: -9.254 flat angles P-C4'-P energy: -4.475 tors. eta vs tors. theta energy: -2.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -46.455287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.455287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.455287 (E_RNA) where: Base-Base interactions energy: -18.251 where: short stacking energy: -16.346 Base-Backbone interact. energy: -0.028 local terms energy: -28.176409 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -8.706 flat angles P-C4'-P energy: -0.525 tors. eta vs tors. theta energy: -4.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -42.061558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.061558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.061558 (E_RNA) where: Base-Base interactions energy: -17.238 where: short stacking energy: -17.238 Base-Backbone interact. energy: -0.153 local terms energy: -24.670541 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -4.751 flat angles C4'-P-C4' energy: -5.735 flat angles P-C4'-P energy: -5.775 tors. eta vs tors. theta energy: -1.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -61.237817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.237817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.237817 (E_RNA) where: Base-Base interactions energy: -31.739 where: short stacking energy: -16.850 Base-Backbone interact. energy: 0.202 local terms energy: -29.700457 where: bonds (distance) C4'-P energy: -4.623 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -8.831 flat angles P-C4'-P energy: -3.363 tors. eta vs tors. theta energy: -4.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -62.265364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.265364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.265364 (E_RNA) where: Base-Base interactions energy: -26.655 where: short stacking energy: -26.655 Base-Backbone interact. energy: -0.001 local terms energy: -35.609251 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -4.671 flat angles P-C4'-P energy: -4.477 tors. eta vs tors. theta energy: -9.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -57.709277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.709277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.709277 (E_RNA) where: Base-Base interactions energy: -23.864 where: short stacking energy: -23.864 Base-Backbone interact. energy: -0.018 local terms energy: -33.826784 where: bonds (distance) C4'-P energy: -4.951 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -8.536 flat angles P-C4'-P energy: -7.657 tors. eta vs tors. theta energy: -4.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -51.021944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.021944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.021944 (E_RNA) where: Base-Base interactions energy: -20.831 where: short stacking energy: -18.343 Base-Backbone interact. energy: -0.103 local terms energy: -30.088005 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -6.709 flat angles P-C4'-P energy: -2.200 tors. eta vs tors. theta energy: -5.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -52.071092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.071092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.071092 (E_RNA) where: Base-Base interactions energy: -19.663 where: short stacking energy: -19.663 Base-Backbone interact. energy: -0.015 local terms energy: -32.393971 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -7.981 flat angles P-C4'-P energy: -5.309 tors. eta vs tors. theta energy: -5.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -53.304929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.304929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.304929 (E_RNA) where: Base-Base interactions energy: -20.247 where: short stacking energy: -20.247 Base-Backbone interact. energy: -0.000 local terms energy: -33.058350 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -6.885 flat angles C4'-P-C4' energy: -8.666 flat angles P-C4'-P energy: -3.680 tors. eta vs tors. theta energy: -6.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -46.712008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.712008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.712008 (E_RNA) where: Base-Base interactions energy: -19.719 where: short stacking energy: -15.620 Base-Backbone interact. energy: -0.016 local terms energy: -26.977046 where: bonds (distance) C4'-P energy: -6.603 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -7.179 flat angles P-C4'-P energy: -3.481 tors. eta vs tors. theta energy: -1.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -38.303254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.303254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.303254 (E_RNA) where: Base-Base interactions energy: -10.506 where: short stacking energy: -10.506 Base-Backbone interact. energy: -0.002 local terms energy: -27.795286 where: bonds (distance) C4'-P energy: -6.148 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.759 flat angles P-C4'-P energy: -6.383 tors. eta vs tors. theta energy: 0.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -41.385686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.385686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.385686 (E_RNA) where: Base-Base interactions energy: -13.117 where: short stacking energy: -13.117 Base-Backbone interact. energy: -0.000 local terms energy: -28.268419 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -6.579 flat angles C4'-P-C4' energy: -6.507 flat angles P-C4'-P energy: -3.728 tors. eta vs tors. theta energy: -3.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -42.678034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.678034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.678034 (E_RNA) where: Base-Base interactions energy: -19.183 where: short stacking energy: -4.673 Base-Backbone interact. energy: -0.002 local terms energy: -23.493694 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -4.333 flat angles P-C4'-P energy: -4.811 tors. eta vs tors. theta energy: 0.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -67.925227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.925227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.925227 (E_RNA) where: Base-Base interactions energy: -28.661 where: short stacking energy: -28.661 Base-Backbone interact. energy: -0.000 local terms energy: -39.264514 where: bonds (distance) C4'-P energy: -7.112 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -8.762 flat angles P-C4'-P energy: -6.855 tors. eta vs tors. theta energy: -9.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -68.823800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.823800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.823800 (E_RNA) where: Base-Base interactions energy: -32.526 where: short stacking energy: -32.526 Base-Backbone interact. energy: -0.000 local terms energy: -36.297887 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -7.411 flat angles C4'-P-C4' energy: -8.722 flat angles P-C4'-P energy: -4.089 tors. eta vs tors. theta energy: -10.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -63.893975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.893975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.893975 (E_RNA) where: Base-Base interactions energy: -29.756 where: short stacking energy: -27.689 Base-Backbone interact. energy: -0.000 local terms energy: -34.137908 where: bonds (distance) C4'-P energy: -6.098 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -8.001 flat angles P-C4'-P energy: -5.296 tors. eta vs tors. theta energy: -8.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -52.214323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.214323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.214323 (E_RNA) where: Base-Base interactions energy: -20.656 where: short stacking energy: -20.656 Base-Backbone interact. energy: -0.000 local terms energy: -31.558364 where: bonds (distance) C4'-P energy: -6.955 bonds (distance) P-C4' energy: -6.452 flat angles C4'-P-C4' energy: -7.431 flat angles P-C4'-P energy: -4.437 tors. eta vs tors. theta energy: -6.284 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: 5, replica: 8 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -48.536836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.536836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.536836 (E_RNA) where: Base-Base interactions energy: -17.748 where: short stacking energy: -12.873 Base-Backbone interact. energy: -0.014 local terms energy: -30.775069 where: bonds (distance) C4'-P energy: -7.082 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -6.471 flat angles P-C4'-P energy: -5.417 tors. eta vs tors. theta energy: -4.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -54.067150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.067150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.067150 (E_RNA) where: Base-Base interactions energy: -23.268 where: short stacking energy: -15.994 Base-Backbone interact. energy: -0.027 local terms energy: -30.772436 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -8.112 flat angles P-C4'-P energy: -6.560 tors. eta vs tors. theta energy: -0.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -56.751098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.751098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.751098 (E_RNA) where: Base-Base interactions energy: -23.293 where: short stacking energy: -23.293 Base-Backbone interact. energy: -0.000 local terms energy: -33.457835 where: bonds (distance) C4'-P energy: -6.798 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -6.914 flat angles P-C4'-P energy: -5.613 tors. eta vs tors. theta energy: -6.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -44.392743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.392743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.392743 (E_RNA) where: Base-Base interactions energy: -21.270 where: short stacking energy: -20.939 Base-Backbone interact. energy: -0.003 local terms energy: -23.119436 where: bonds (distance) C4'-P energy: -3.891 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -2.837 flat angles P-C4'-P energy: -3.252 tors. eta vs tors. theta energy: -5.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -52.207831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.207831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.207831 (E_RNA) where: Base-Base interactions energy: -24.893 where: short stacking energy: -16.394 Base-Backbone interact. energy: -0.042 local terms energy: -27.273216 where: bonds (distance) C4'-P energy: -4.230 bonds (distance) P-C4' energy: -7.886 flat angles C4'-P-C4' energy: -6.854 flat angles P-C4'-P energy: -6.442 tors. eta vs tors. theta energy: -1.860 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: 94 Temperature: 1.350000 Total energy: -44.244828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.244828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.244828 (E_RNA) where: Base-Base interactions energy: -12.879 where: short stacking energy: -12.879 Base-Backbone interact. energy: -0.025 local terms energy: -31.340951 where: bonds (distance) C4'-P energy: -7.811 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.890 flat angles P-C4'-P energy: -2.763 tors. eta vs tors. theta energy: -3.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -70.677671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.677671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.677671 (E_RNA) where: Base-Base interactions energy: -31.994 where: short stacking energy: -31.994 Base-Backbone interact. energy: -0.000 local terms energy: -38.683414 where: bonds (distance) C4'-P energy: -7.336 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -6.402 flat angles P-C4'-P energy: -5.351 tors. eta vs tors. theta energy: -10.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -71.096154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.096154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.096154 (E_RNA) where: Base-Base interactions energy: -29.692 where: short stacking energy: -28.795 Base-Backbone interact. energy: -0.261 local terms energy: -41.143575 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -7.731 flat angles C4'-P-C4' energy: -8.245 flat angles P-C4'-P energy: -6.780 tors. eta vs tors. theta energy: -9.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -55.580741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.580741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.580741 (E_RNA) where: Base-Base interactions energy: -28.672 where: short stacking energy: -23.051 Base-Backbone interact. energy: -0.082 local terms energy: -26.826577 where: bonds (distance) C4'-P energy: -6.677 bonds (distance) P-C4' energy: -2.459 flat angles C4'-P-C4' energy: -8.479 flat angles P-C4'-P energy: -5.202 tors. eta vs tors. theta energy: -4.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -50.477421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.477421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.477421 (E_RNA) where: Base-Base interactions energy: -18.968 where: short stacking energy: -18.968 Base-Backbone interact. energy: -0.000 local terms energy: -31.509144 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -6.568 flat angles P-C4'-P energy: -4.344 tors. eta vs tors. theta energy: -4.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -47.493565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.493565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.493565 (E_RNA) where: Base-Base interactions energy: -22.640 where: short stacking energy: -22.640 Base-Backbone interact. energy: -0.017 local terms energy: -24.836569 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.567 flat angles C4'-P-C4' energy: -5.582 flat angles P-C4'-P energy: -4.354 tors. eta vs tors. theta energy: -3.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -61.042646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.042646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.042646 (E_RNA) where: Base-Base interactions energy: -32.927 where: short stacking energy: -19.131 Base-Backbone interact. energy: -0.014 local terms energy: -28.101826 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -5.815 flat angles C4'-P-C4' energy: -5.657 flat angles P-C4'-P energy: -2.824 tors. eta vs tors. theta energy: -5.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -44.983524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.983524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.983524 (E_RNA) where: Base-Base interactions energy: -16.031 where: short stacking energy: -16.031 Base-Backbone interact. energy: -0.274 local terms energy: -28.678660 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -4.388 flat angles P-C4'-P energy: -3.985 tors. eta vs tors. theta energy: -3.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -46.624272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.624272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.624272 (E_RNA) where: Base-Base interactions energy: -22.882 where: short stacking energy: -13.488 Base-Backbone interact. energy: 0.022 local terms energy: -23.764915 where: bonds (distance) C4'-P energy: -7.497 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -7.520 flat angles P-C4'-P energy: 0.587 tors. eta vs tors. theta energy: -2.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -38.945067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.945067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.945067 (E_RNA) where: Base-Base interactions energy: -12.331 where: short stacking energy: -12.331 Base-Backbone interact. energy: -0.088 local terms energy: -26.525995 where: bonds (distance) C4'-P energy: -7.339 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -6.638 flat angles P-C4'-P energy: -2.392 tors. eta vs tors. theta energy: -3.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -43.078774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.078774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.078774 (E_RNA) where: Base-Base interactions energy: -14.039 where: short stacking energy: -14.039 Base-Backbone interact. energy: -0.076 local terms energy: -28.963255 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -5.449 flat angles P-C4'-P energy: -2.071 tors. eta vs tors. theta energy: -4.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -74.400847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.400847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.400847 (E_RNA) where: Base-Base interactions energy: -38.579 where: short stacking energy: -28.534 Base-Backbone interact. energy: -0.003 local terms energy: -35.819575 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -8.248 flat angles P-C4'-P energy: -3.922 tors. eta vs tors. theta energy: -6.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -73.780106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.780106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.780106 (E_RNA) where: Base-Base interactions energy: -39.925 where: short stacking energy: -33.114 Base-Backbone interact. energy: -0.004 local terms energy: -33.850995 where: bonds (distance) C4'-P energy: -8.937 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -4.400 flat angles P-C4'-P energy: -3.035 tors. eta vs tors. theta energy: -9.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -60.695311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.695311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.695311 (E_RNA) where: Base-Base interactions energy: -26.409 where: short stacking energy: -26.409 Base-Backbone interact. energy: -0.275 local terms energy: -34.012014 where: bonds (distance) C4'-P energy: -5.873 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -8.247 flat angles P-C4'-P energy: -7.475 tors. eta vs tors. theta energy: -5.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -62.550246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.550246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.550246 (E_RNA) where: Base-Base interactions energy: -26.761 where: short stacking energy: -26.761 Base-Backbone interact. energy: -0.001 local terms energy: -35.788688 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.459 flat angles P-C4'-P energy: -4.553 tors. eta vs tors. theta energy: -7.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -62.539532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.539532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.539532 (E_RNA) where: Base-Base interactions energy: -33.387 where: short stacking energy: -16.133 Base-Backbone interact. energy: -0.398 local terms energy: -28.754762 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -6.841 flat angles P-C4'-P energy: -3.637 tors. eta vs tors. theta energy: -1.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -58.220347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.220347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.220347 (E_RNA) where: Base-Base interactions energy: -26.156 where: short stacking energy: -18.948 Base-Backbone interact. energy: -0.181 local terms energy: -31.883147 where: bonds (distance) C4'-P energy: -7.137 bonds (distance) P-C4' energy: -5.728 flat angles C4'-P-C4' energy: -8.116 flat angles P-C4'-P energy: -6.403 tors. eta vs tors. theta energy: -4.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -49.762321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.762321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.762321 (E_RNA) where: Base-Base interactions energy: -22.938 where: short stacking energy: -22.938 Base-Backbone interact. energy: -0.001 local terms energy: -26.823656 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -7.731 flat angles C4'-P-C4' energy: -2.944 flat angles P-C4'-P energy: -4.834 tors. eta vs tors. theta energy: -4.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -48.510830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.510830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.510830 (E_RNA) where: Base-Base interactions energy: -15.416 where: short stacking energy: -15.416 Base-Backbone interact. energy: -0.004 local terms energy: -33.090783 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -5.533 flat angles P-C4'-P energy: -4.601 tors. eta vs tors. theta energy: -8.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -51.979513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.979513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.979513 (E_RNA) where: Base-Base interactions energy: -23.358 where: short stacking energy: -22.598 Base-Backbone interact. energy: -0.000 local terms energy: -28.621376 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.857 flat angles C4'-P-C4' energy: -6.795 flat angles P-C4'-P energy: -3.742 tors. eta vs tors. theta energy: -6.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -44.851069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.851069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.851069 (E_RNA) where: Base-Base interactions energy: -16.111 where: short stacking energy: -13.763 Base-Backbone interact. energy: -0.078 local terms energy: -28.661369 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -7.174 flat angles P-C4'-P energy: -5.249 tors. eta vs tors. theta energy: -0.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -84.607253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.607253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.607253 (E_RNA) where: Base-Base interactions energy: -48.306 where: short stacking energy: -29.939 Base-Backbone interact. energy: -0.003 local terms energy: -36.298277 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -8.774 flat angles C4'-P-C4' energy: -8.709 flat angles P-C4'-P energy: -4.889 tors. eta vs tors. theta energy: -5.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -67.478148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.478148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.478148 (E_RNA) where: Base-Base interactions energy: -37.853 where: short stacking energy: -24.932 Base-Backbone interact. energy: -0.635 local terms energy: -28.990038 where: bonds (distance) C4'-P energy: -5.333 bonds (distance) P-C4' energy: -5.479 flat angles C4'-P-C4' energy: -8.075 flat angles P-C4'-P energy: -2.548 tors. eta vs tors. theta energy: -7.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -48.645455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.645455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.645455 (E_RNA) where: Base-Base interactions energy: -18.933 where: short stacking energy: -15.465 Base-Backbone interact. energy: -0.136 local terms energy: -29.576028 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -5.844 flat angles P-C4'-P energy: -2.918 tors. eta vs tors. theta energy: -2.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -62.005005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.005005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.005005 (E_RNA) where: Base-Base interactions energy: -31.232 where: short stacking energy: -16.098 Base-Backbone interact. energy: -0.064 local terms energy: -30.708344 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -4.285 flat angles P-C4'-P energy: -4.861 tors. eta vs tors. theta energy: -4.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -52.197196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.197196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.197196 (E_RNA) where: Base-Base interactions energy: -21.155 where: short stacking energy: -17.514 Base-Backbone interact. energy: -0.401 local terms energy: -30.640429 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -7.442 flat angles P-C4'-P energy: -3.939 tors. eta vs tors. theta energy: -3.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -53.210294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.210294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.210294 (E_RNA) where: Base-Base interactions energy: -24.118 where: short stacking energy: -24.118 Base-Backbone interact. energy: -0.018 local terms energy: -29.074004 where: bonds (distance) C4'-P energy: -8.958 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.864 flat angles P-C4'-P energy: -1.176 tors. eta vs tors. theta energy: -3.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -48.632095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.632095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.632095 (E_RNA) where: Base-Base interactions energy: -19.428 where: short stacking energy: -19.428 Base-Backbone interact. energy: -0.049 local terms energy: -29.154367 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -2.730 flat angles P-C4'-P energy: -5.095 tors. eta vs tors. theta energy: -4.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -51.707445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.707445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.707445 (E_RNA) where: Base-Base interactions energy: -22.595 where: short stacking energy: -22.595 Base-Backbone interact. energy: 0.463 local terms energy: -29.575586 where: bonds (distance) C4'-P energy: -6.081 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -7.168 flat angles P-C4'-P energy: -4.348 tors. eta vs tors. theta energy: -5.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -47.099001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.099001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.099001 (E_RNA) where: Base-Base interactions energy: -16.895 where: short stacking energy: -16.895 Base-Backbone interact. energy: -0.004 local terms energy: -30.200358 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -7.096 flat angles P-C4'-P energy: -4.565 tors. eta vs tors. theta energy: -2.987 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: 1 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -39.080999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.080999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.080999 (E_RNA) where: Base-Base interactions energy: -13.414 where: short stacking energy: -12.120 Base-Backbone interact. energy: -0.128 local terms energy: -25.538496 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -5.579 tors. eta vs tors. theta energy: 0.639 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: 6 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -80.319664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.319664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.319664 (E_RNA) where: Base-Base interactions energy: -43.009 where: short stacking energy: -26.875 Base-Backbone interact. energy: -0.004 local terms energy: -37.306050 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -7.758 flat angles P-C4'-P energy: -6.241 tors. eta vs tors. theta energy: -6.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -58.527551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.527551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.527551 (E_RNA) where: Base-Base interactions energy: -22.556 where: short stacking energy: -22.556 Base-Backbone interact. energy: -0.000 local terms energy: -35.971320 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -8.312 flat angles C4'-P-C4' energy: -7.245 flat angles P-C4'-P energy: -6.455 tors. eta vs tors. theta energy: -5.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -69.498627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.498627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.498627 (E_RNA) where: Base-Base interactions energy: -32.784 where: short stacking energy: -32.784 Base-Backbone interact. energy: -0.001 local terms energy: -36.714070 where: bonds (distance) C4'-P energy: -7.124 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -7.110 flat angles P-C4'-P energy: -6.613 tors. eta vs tors. theta energy: -8.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -53.237710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.237710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.237710 (E_RNA) where: Base-Base interactions energy: -21.866 where: short stacking energy: -21.866 Base-Backbone interact. energy: -0.009 local terms energy: -31.362041 where: bonds (distance) C4'-P energy: -6.875 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -8.044 flat angles P-C4'-P energy: -3.335 tors. eta vs tors. theta energy: -5.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -50.805466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.805466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.805466 (E_RNA) where: Base-Base interactions energy: -20.252 where: short stacking energy: -20.252 Base-Backbone interact. energy: -0.002 local terms energy: -30.550787 where: bonds (distance) C4'-P energy: -7.613 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.988 flat angles P-C4'-P energy: -5.362 tors. eta vs tors. theta energy: -1.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -42.951659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.951659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.951659 (E_RNA) where: Base-Base interactions energy: -13.759 where: short stacking energy: -5.550 Base-Backbone interact. energy: -0.013 local terms energy: -29.179036 where: bonds (distance) C4'-P energy: -7.275 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -5.382 flat angles P-C4'-P energy: -5.749 tors. eta vs tors. theta energy: -2.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -50.892040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.892040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.892040 (E_RNA) where: Base-Base interactions energy: -17.504 where: short stacking energy: -17.504 Base-Backbone interact. energy: -0.000 local terms energy: -33.387615 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.510 flat angles C4'-P-C4' energy: -7.978 flat angles P-C4'-P energy: -6.129 tors. eta vs tors. theta energy: -3.413 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: 3 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -46.475789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.475789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.475789 (E_RNA) where: Base-Base interactions energy: -16.092 where: short stacking energy: -16.092 Base-Backbone interact. energy: -0.002 local terms energy: -30.382150 where: bonds (distance) C4'-P energy: -7.206 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -7.478 flat angles P-C4'-P energy: -5.183 tors. eta vs tors. theta energy: -3.213 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: 1 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -46.270463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.270463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.270463 (E_RNA) where: Base-Base interactions energy: -20.064 where: short stacking energy: -17.151 Base-Backbone interact. energy: 0.867 local terms energy: -27.073044 where: bonds (distance) C4'-P energy: -4.968 bonds (distance) P-C4' energy: -5.385 flat angles C4'-P-C4' energy: -8.504 flat angles P-C4'-P energy: -5.364 tors. eta vs tors. theta energy: -2.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -42.593544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.593544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.593544 (E_RNA) where: Base-Base interactions energy: -17.895 where: short stacking energy: -11.154 Base-Backbone interact. energy: 1.378 local terms energy: -26.076488 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.231 flat angles P-C4'-P energy: -3.027 tors. eta vs tors. theta energy: 0.590 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: 1, replica: 6 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -76.066805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.066805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.066805 (E_RNA) where: Base-Base interactions energy: -38.511 where: short stacking energy: -22.746 Base-Backbone interact. energy: -0.002 local terms energy: -37.553551 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -9.023 flat angles P-C4'-P energy: -7.028 tors. eta vs tors. theta energy: -5.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -56.421897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.421897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.421897 (E_RNA) where: Base-Base interactions energy: -22.479 where: short stacking energy: -22.479 Base-Backbone interact. energy: -0.042 local terms energy: -33.900789 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.325 flat angles P-C4'-P energy: -5.126 tors. eta vs tors. theta energy: -3.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -63.516481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.516481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.516481 (E_RNA) where: Base-Base interactions energy: -27.158 where: short stacking energy: -27.158 Base-Backbone interact. energy: -0.000 local terms energy: -36.358272 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -8.072 flat angles C4'-P-C4' energy: -7.802 flat angles P-C4'-P energy: -5.323 tors. eta vs tors. theta energy: -7.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -52.421658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.421658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.421658 (E_RNA) where: Base-Base interactions energy: -21.732 where: short stacking energy: -21.624 Base-Backbone interact. energy: -0.093 local terms energy: -30.595981 where: bonds (distance) C4'-P energy: -7.969 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.067 flat angles P-C4'-P energy: -3.372 tors. eta vs tors. theta energy: -3.867 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: 5, replica: 10 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -60.567363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.567363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.567363 (E_RNA) where: Base-Base interactions energy: -28.475 where: short stacking energy: -22.458 Base-Backbone interact. energy: -0.072 local terms energy: -32.020193 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -7.503 flat angles C4'-P-C4' energy: -5.672 flat angles P-C4'-P energy: -5.268 tors. eta vs tors. theta energy: -5.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -54.239199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.239199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.239199 (E_RNA) where: Base-Base interactions energy: -25.470 where: short stacking energy: -18.815 Base-Backbone interact. energy: -0.176 local terms energy: -28.593697 where: bonds (distance) C4'-P energy: -4.632 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -8.533 flat angles P-C4'-P energy: -5.346 tors. eta vs tors. theta energy: -2.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -43.639215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.639215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.639215 (E_RNA) where: Base-Base interactions energy: -17.161 where: short stacking energy: -17.161 Base-Backbone interact. energy: -0.045 local terms energy: -26.432714 where: bonds (distance) C4'-P energy: -4.977 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -6.834 flat angles P-C4'-P energy: -4.782 tors. eta vs tors. theta energy: -0.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -49.875396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.875396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.875396 (E_RNA) where: Base-Base interactions energy: -24.187 where: short stacking energy: -17.689 Base-Backbone interact. energy: -0.571 local terms energy: -25.117911 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -6.723 flat angles C4'-P-C4' energy: -6.817 flat angles P-C4'-P energy: -4.784 tors. eta vs tors. theta energy: 0.856 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: 3 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -46.425778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.425778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.425778 (E_RNA) where: Base-Base interactions energy: -21.759 where: short stacking energy: -21.759 Base-Backbone interact. energy: 0.500 local terms energy: -25.166377 where: bonds (distance) C4'-P energy: -4.007 bonds (distance) P-C4' energy: -6.478 flat angles C4'-P-C4' energy: -4.727 flat angles P-C4'-P energy: -3.467 tors. eta vs tors. theta energy: -6.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -40.104735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.104735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.104735 (E_RNA) where: Base-Base interactions energy: -17.518 where: short stacking energy: -17.022 Base-Backbone interact. energy: -0.008 local terms energy: -22.578014 where: bonds (distance) C4'-P energy: -5.005 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.571 flat angles P-C4'-P energy: -3.715 tors. eta vs tors. theta energy: -1.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -68.357498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.357498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.357498 (E_RNA) where: Base-Base interactions energy: -39.019 where: short stacking energy: -12.657 Base-Backbone interact. energy: -0.013 local terms energy: -29.326020 where: bonds (distance) C4'-P energy: -8.371 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -8.180 flat angles P-C4'-P energy: -5.246 tors. eta vs tors. theta energy: -0.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -69.906409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.906409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.906409 (E_RNA) where: Base-Base interactions energy: -30.646 where: short stacking energy: -30.646 Base-Backbone interact. energy: -0.000 local terms energy: -39.260425 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.157 flat angles P-C4'-P energy: -5.636 tors. eta vs tors. theta energy: -10.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -64.077651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.077651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.077651 (E_RNA) where: Base-Base interactions energy: -31.564 where: short stacking energy: -23.416 Base-Backbone interact. energy: -0.037 local terms energy: -32.476144 where: bonds (distance) C4'-P energy: -8.581 bonds (distance) P-C4' energy: -6.581 flat angles C4'-P-C4' energy: -8.482 flat angles P-C4'-P energy: -4.992 tors. eta vs tors. theta energy: -3.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -54.897808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.897808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.897808 (E_RNA) where: Base-Base interactions energy: -23.315 where: short stacking energy: -23.315 Base-Backbone interact. energy: 0.031 local terms energy: -31.613977 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -5.699 flat angles P-C4'-P energy: -6.938 tors. eta vs tors. theta energy: -2.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -60.236691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.236691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.236691 (E_RNA) where: Base-Base interactions energy: -27.959 where: short stacking energy: -22.727 Base-Backbone interact. energy: -0.000 local terms energy: -32.277634 where: bonds (distance) C4'-P energy: -7.157 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -7.415 flat angles P-C4'-P energy: -3.821 tors. eta vs tors. theta energy: -7.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -52.622402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.622402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.622402 (E_RNA) where: Base-Base interactions energy: -20.093 where: short stacking energy: -19.748 Base-Backbone interact. energy: -0.077 local terms energy: -32.452118 where: bonds (distance) C4'-P energy: -6.504 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -7.623 flat angles P-C4'-P energy: -6.064 tors. eta vs tors. theta energy: -3.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -51.332072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.332072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.332072 (E_RNA) where: Base-Base interactions energy: -22.658 where: short stacking energy: -16.880 Base-Backbone interact. energy: -0.022 local terms energy: -28.652067 where: bonds (distance) C4'-P energy: -2.331 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -5.976 flat angles P-C4'-P energy: -3.472 tors. eta vs tors. theta energy: -8.044 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: 8, replica: 7 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -47.334685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.334685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.334685 (E_RNA) where: Base-Base interactions energy: -21.452 where: short stacking energy: -21.452 Base-Backbone interact. energy: -0.035 local terms energy: -25.847851 where: bonds (distance) C4'-P energy: -6.516 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -3.177 flat angles P-C4'-P energy: -5.965 tors. eta vs tors. theta energy: -2.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -41.957331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.957331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.957331 (E_RNA) where: Base-Base interactions energy: -24.400 where: short stacking energy: -13.499 Base-Backbone interact. energy: -0.016 local terms energy: -17.542068 where: bonds (distance) C4'-P energy: -3.568 bonds (distance) P-C4' energy: -5.639 flat angles C4'-P-C4' energy: -5.093 flat angles P-C4'-P energy: -4.052 tors. eta vs tors. theta energy: 0.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -39.666795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.666795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.666795 (E_RNA) where: Base-Base interactions energy: -11.416 where: short stacking energy: -11.416 Base-Backbone interact. energy: -0.113 local terms energy: -28.137613 where: bonds (distance) C4'-P energy: -5.110 bonds (distance) P-C4' energy: -5.929 flat angles C4'-P-C4' energy: -8.956 flat angles P-C4'-P energy: -6.400 tors. eta vs tors. theta energy: -1.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -59.763778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.763778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.763778 (E_RNA) where: Base-Base interactions energy: -24.662 where: short stacking energy: -24.662 Base-Backbone interact. energy: -0.018 local terms energy: -35.084189 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -5.684 flat angles P-C4'-P energy: -5.896 tors. eta vs tors. theta energy: -6.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -66.488168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.488168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.488168 (E_RNA) where: Base-Base interactions energy: -28.578 where: short stacking energy: -28.578 Base-Backbone interact. energy: -0.000 local terms energy: -37.910308 where: bonds (distance) C4'-P energy: -6.503 bonds (distance) P-C4' energy: -7.886 flat angles C4'-P-C4' energy: -8.207 flat angles P-C4'-P energy: -7.002 tors. eta vs tors. theta energy: -8.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -63.210575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.210575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.210575 (E_RNA) where: Base-Base interactions energy: -31.004 where: short stacking energy: -16.357 Base-Backbone interact. energy: -0.000 local terms energy: -32.206668 where: bonds (distance) C4'-P energy: -7.030 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.727 flat angles P-C4'-P energy: -0.847 tors. eta vs tors. theta energy: -7.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -55.164684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.164684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.164684 (E_RNA) where: Base-Base interactions energy: -19.736 where: short stacking energy: -19.736 Base-Backbone interact. energy: -0.002 local terms energy: -35.426851 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -8.610 flat angles P-C4'-P energy: -5.984 tors. eta vs tors. theta energy: -3.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -52.991224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.991224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.991224 (E_RNA) where: Base-Base interactions energy: -22.821 where: short stacking energy: -19.534 Base-Backbone interact. energy: -0.015 local terms energy: -30.154995 where: bonds (distance) C4'-P energy: -4.711 bonds (distance) P-C4' energy: -5.701 flat angles C4'-P-C4' energy: -6.356 flat angles P-C4'-P energy: -7.009 tors. eta vs tors. theta energy: -6.378 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: 1 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -46.178052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.178052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.178052 (E_RNA) where: Base-Base interactions energy: -18.357 where: short stacking energy: -18.357 Base-Backbone interact. energy: -0.042 local terms energy: -27.779145 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -8.439 flat angles P-C4'-P energy: -4.598 tors. eta vs tors. theta energy: -1.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -47.924206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.924206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.924206 (E_RNA) where: Base-Base interactions energy: -23.045 where: short stacking energy: -23.045 Base-Backbone interact. energy: -0.086 local terms energy: -24.792902 where: bonds (distance) C4'-P energy: -6.156 bonds (distance) P-C4' energy: -5.696 flat angles C4'-P-C4' energy: -6.240 flat angles P-C4'-P energy: -2.806 tors. eta vs tors. theta energy: -3.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -49.023472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.023472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.023472 (E_RNA) where: Base-Base interactions energy: -17.398 where: short stacking energy: -17.398 Base-Backbone interact. energy: -0.077 local terms energy: -31.548169 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -3.914 flat angles C4'-P-C4' energy: -9.047 flat angles P-C4'-P energy: -4.809 tors. eta vs tors. theta energy: -5.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -40.558838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.558838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.558838 (E_RNA) where: Base-Base interactions energy: -10.854 where: short stacking energy: -10.854 Base-Backbone interact. energy: -0.088 local terms energy: -29.617638 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.327 flat angles P-C4'-P energy: -3.273 tors. eta vs tors. theta energy: -2.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -41.381768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.381768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.381768 (E_RNA) where: Base-Base interactions energy: -18.407 where: short stacking energy: -6.892 Base-Backbone interact. energy: 0.348 local terms energy: -23.321979 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -4.848 flat angles C4'-P-C4' energy: -6.553 flat angles P-C4'-P energy: -5.178 tors. eta vs tors. theta energy: 1.875 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: 8 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -72.550768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.550768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.550768 (E_RNA) where: Base-Base interactions energy: -36.457 where: short stacking energy: -27.354 Base-Backbone interact. energy: -0.000 local terms energy: -36.093847 where: bonds (distance) C4'-P energy: -5.581 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -7.942 flat angles P-C4'-P energy: -6.186 tors. eta vs tors. theta energy: -7.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -65.521195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.521195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.521195 (E_RNA) where: Base-Base interactions energy: -27.735 where: short stacking energy: -27.735 Base-Backbone interact. energy: -0.000 local terms energy: -37.786030 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -8.956 flat angles P-C4'-P energy: -5.373 tors. eta vs tors. theta energy: -10.247 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: 102 Temperature: 1.000000 Total energy: -57.394793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.394793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.394793 (E_RNA) where: Base-Base interactions energy: -27.534 where: short stacking energy: -22.634 Base-Backbone interact. energy: -0.089 local terms energy: -29.771923 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -6.594 flat angles C4'-P-C4' energy: -6.382 flat angles P-C4'-P energy: -4.505 tors. eta vs tors. theta energy: -4.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -77.787012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.787012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.787012 (E_RNA) where: Base-Base interactions energy: -43.628 where: short stacking energy: -26.239 Base-Backbone interact. energy: -0.003 local terms energy: -34.156301 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -7.702 flat angles C4'-P-C4' energy: -8.323 flat angles P-C4'-P energy: -4.334 tors. eta vs tors. theta energy: -5.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -60.038707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.038707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.038707 (E_RNA) where: Base-Base interactions energy: -27.493 where: short stacking energy: -27.493 Base-Backbone interact. energy: -0.000 local terms energy: -32.545957 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -4.234 flat angles P-C4'-P energy: -4.704 tors. eta vs tors. theta energy: -6.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -49.993786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.993786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.993786 (E_RNA) where: Base-Base interactions energy: -20.488 where: short stacking energy: -20.488 Base-Backbone interact. energy: -0.097 local terms energy: -29.408659 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -6.889 flat angles P-C4'-P energy: -4.404 tors. eta vs tors. theta energy: -3.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -47.386421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.386421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.386421 (E_RNA) where: Base-Base interactions energy: -14.241 where: short stacking energy: -14.241 Base-Backbone interact. energy: -0.002 local terms energy: -33.143542 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -5.861 flat angles P-C4'-P energy: -5.605 tors. eta vs tors. theta energy: -5.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -41.093864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.093864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.093864 (E_RNA) where: Base-Base interactions energy: -16.968 where: short stacking energy: -16.968 Base-Backbone interact. energy: -0.035 local terms energy: -24.090165 where: bonds (distance) C4'-P energy: -4.255 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: -5.625 tors. eta vs tors. theta energy: -2.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -45.085390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.085390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.085390 (E_RNA) where: Base-Base interactions energy: -16.575 where: short stacking energy: -16.575 Base-Backbone interact. energy: -0.000 local terms energy: -28.509881 where: bonds (distance) C4'-P energy: -5.469 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.617 flat angles P-C4'-P energy: -6.484 tors. eta vs tors. theta energy: -4.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -46.113543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.113543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.113543 (E_RNA) where: Base-Base interactions energy: -19.765 where: short stacking energy: -16.633 Base-Backbone interact. energy: -0.468 local terms energy: -25.881208 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -6.585 flat angles C4'-P-C4' energy: -6.044 flat angles P-C4'-P energy: -4.588 tors. eta vs tors. theta energy: -1.929 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: 8 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -68.832939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.832939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.832939 (E_RNA) where: Base-Base interactions energy: -35.055 where: short stacking energy: -27.031 Base-Backbone interact. energy: -0.026 local terms energy: -33.752011 where: bonds (distance) C4'-P energy: -8.644 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -4.986 flat angles P-C4'-P energy: -5.554 tors. eta vs tors. theta energy: -6.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -73.891115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.891115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.891115 (E_RNA) where: Base-Base interactions energy: -35.644 where: short stacking energy: -35.644 Base-Backbone interact. energy: -0.000 local terms energy: -38.247332 where: bonds (distance) C4'-P energy: -3.726 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -8.651 flat angles P-C4'-P energy: -5.159 tors. eta vs tors. theta energy: -11.384 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: 3, replica: 10 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -57.086790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.086790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.086790 (E_RNA) where: Base-Base interactions energy: -27.571 where: short stacking energy: -26.164 Base-Backbone interact. energy: -0.028 local terms energy: -29.487894 where: bonds (distance) C4'-P energy: -2.773 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -7.655 flat angles P-C4'-P energy: -5.549 tors. eta vs tors. theta energy: -5.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -73.942664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.942664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.942664 (E_RNA) where: Base-Base interactions energy: -43.844 where: short stacking energy: -24.247 Base-Backbone interact. energy: -0.005 local terms energy: -30.093849 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -7.245 flat angles C4'-P-C4' energy: -7.269 flat angles P-C4'-P energy: -2.723 tors. eta vs tors. theta energy: -4.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -52.888658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.888658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.888658 (E_RNA) where: Base-Base interactions energy: -20.537 where: short stacking energy: -14.364 Base-Backbone interact. energy: -0.014 local terms energy: -32.337634 where: bonds (distance) C4'-P energy: -6.413 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.730 flat angles P-C4'-P energy: -6.263 tors. eta vs tors. theta energy: -5.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -55.139684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.139684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.139684 (E_RNA) where: Base-Base interactions energy: -20.266 where: short stacking energy: -20.266 Base-Backbone interact. energy: -0.089 local terms energy: -34.784451 where: bonds (distance) C4'-P energy: -6.635 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -7.115 flat angles P-C4'-P energy: -5.707 tors. eta vs tors. theta energy: -8.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -46.985193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.985193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.985193 (E_RNA) where: Base-Base interactions energy: -15.200 where: short stacking energy: -13.165 Base-Backbone interact. energy: -1.642 local terms energy: -30.143857 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -6.531 flat angles P-C4'-P energy: -6.598 tors. eta vs tors. theta energy: -1.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -47.800969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.800969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.800969 (E_RNA) where: Base-Base interactions energy: -19.675 where: short stacking energy: -17.718 Base-Backbone interact. energy: -0.001 local terms energy: -28.124651 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -5.718 flat angles P-C4'-P energy: -4.188 tors. eta vs tors. theta energy: -4.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -41.226415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.226415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.226415 (E_RNA) where: Base-Base interactions energy: -11.049 where: short stacking energy: -11.049 Base-Backbone interact. energy: -0.085 local terms energy: -30.092910 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -7.512 flat angles C4'-P-C4' energy: -7.024 flat angles P-C4'-P energy: -7.335 tors. eta vs tors. theta energy: -1.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -41.448711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.448711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.448711 (E_RNA) where: Base-Base interactions energy: -16.770 where: short stacking energy: -16.770 Base-Backbone interact. energy: -0.028 local terms energy: -24.651399 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -5.164 flat angles P-C4'-P energy: -1.109 tors. eta vs tors. theta energy: -2.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -58.124473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.124473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.124473 (E_RNA) where: Base-Base interactions energy: -21.698 where: short stacking energy: -21.698 Base-Backbone interact. energy: -0.006 local terms energy: -36.420995 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -7.382 flat angles P-C4'-P energy: -4.814 tors. eta vs tors. theta energy: -7.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -70.525935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.525935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.525935 (E_RNA) where: Base-Base interactions energy: -30.638 where: short stacking energy: -30.638 Base-Backbone interact. energy: -0.000 local terms energy: -39.887733 where: bonds (distance) C4'-P energy: -8.466 bonds (distance) P-C4' energy: -8.357 flat angles C4'-P-C4' energy: -8.230 flat angles P-C4'-P energy: -4.026 tors. eta vs tors. theta energy: -10.809 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: 5 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -60.160728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.160728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.160728 (E_RNA) where: Base-Base interactions energy: -27.356 where: short stacking energy: -27.356 Base-Backbone interact. energy: -0.027 local terms energy: -32.776915 where: bonds (distance) C4'-P energy: -5.709 bonds (distance) P-C4' energy: -7.062 flat angles C4'-P-C4' energy: -7.788 flat angles P-C4'-P energy: -5.223 tors. eta vs tors. theta energy: -6.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -61.885864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.885864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.885864 (E_RNA) where: Base-Base interactions energy: -27.481 where: short stacking energy: -27.481 Base-Backbone interact. energy: -0.000 local terms energy: -34.404901 where: bonds (distance) C4'-P energy: -4.702 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -4.418 flat angles P-C4'-P energy: -5.752 tors. eta vs tors. theta energy: -9.980 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: 5, replica: 4 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -46.594295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.594295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.594295 (E_RNA) where: Base-Base interactions energy: -22.378 where: short stacking energy: -22.003 Base-Backbone interact. energy: -0.010 local terms energy: -24.206792 where: bonds (distance) C4'-P energy: -5.742 bonds (distance) P-C4' energy: -5.639 flat angles C4'-P-C4' energy: -5.216 flat angles P-C4'-P energy: -4.479 tors. eta vs tors. theta energy: -3.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -50.947166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.947166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.947166 (E_RNA) where: Base-Base interactions energy: -19.226 where: short stacking energy: -19.226 Base-Backbone interact. energy: -0.008 local terms energy: -31.713504 where: bonds (distance) C4'-P energy: -6.078 bonds (distance) P-C4' energy: -9.076 flat angles C4'-P-C4' energy: -7.453 flat angles P-C4'-P energy: -4.922 tors. eta vs tors. theta energy: -4.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -49.820498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.820498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.820498 (E_RNA) where: Base-Base interactions energy: -24.104 where: short stacking energy: -20.432 Base-Backbone interact. energy: -0.000 local terms energy: -25.716470 where: bonds (distance) C4'-P energy: -4.479 bonds (distance) P-C4' energy: -7.118 flat angles C4'-P-C4' energy: -6.339 flat angles P-C4'-P energy: -4.838 tors. eta vs tors. theta energy: -2.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -46.553030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.553030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.553030 (E_RNA) where: Base-Base interactions energy: -22.785 where: short stacking energy: -12.684 Base-Backbone interact. energy: -0.097 local terms energy: -23.670664 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -5.883 flat angles C4'-P-C4' energy: -3.290 flat angles P-C4'-P energy: -2.727 tors. eta vs tors. theta energy: -3.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -50.778002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.778002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.778002 (E_RNA) where: Base-Base interactions energy: -21.104 where: short stacking energy: -20.592 Base-Backbone interact. energy: -0.013 local terms energy: -29.661223 where: bonds (distance) C4'-P energy: -6.549 bonds (distance) P-C4' energy: -6.172 flat angles C4'-P-C4' energy: -6.836 flat angles P-C4'-P energy: -6.588 tors. eta vs tors. theta energy: -3.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -37.238114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.238114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.238114 (E_RNA) where: Base-Base interactions energy: -9.347 where: short stacking energy: -9.347 Base-Backbone interact. energy: -0.111 local terms energy: -27.780895 where: bonds (distance) C4'-P energy: -6.591 bonds (distance) P-C4' energy: -8.565 flat angles C4'-P-C4' energy: -6.035 flat angles P-C4'-P energy: -5.898 tors. eta vs tors. theta energy: -0.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -74.848972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.848972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.848972 (E_RNA) where: Base-Base interactions energy: -40.591 where: short stacking energy: -27.527 Base-Backbone interact. energy: -0.001 local terms energy: -34.256656 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -7.514 flat angles C4'-P-C4' energy: -8.458 flat angles P-C4'-P energy: -5.635 tors. eta vs tors. theta energy: -4.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -55.333433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.333433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.333433 (E_RNA) where: Base-Base interactions energy: -22.125 where: short stacking energy: -22.125 Base-Backbone interact. energy: -0.483 local terms energy: -32.725509 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.521 flat angles P-C4'-P energy: -3.815 tors. eta vs tors. theta energy: -5.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -56.564244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.564244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.564244 (E_RNA) where: Base-Base interactions energy: -23.186 where: short stacking energy: -23.186 Base-Backbone interact. energy: 0.087 local terms energy: -33.464564 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.444 flat angles P-C4'-P energy: -4.997 tors. eta vs tors. theta energy: -5.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -63.262254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.262254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.262254 (E_RNA) where: Base-Base interactions energy: -26.682 where: short stacking energy: -19.401 Base-Backbone interact. energy: -0.003 local terms energy: -36.578078 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -8.355 flat angles C4'-P-C4' energy: -3.668 flat angles P-C4'-P energy: -7.495 tors. eta vs tors. theta energy: -8.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -50.331626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.331626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.331626 (E_RNA) where: Base-Base interactions energy: -22.498 where: short stacking energy: -22.498 Base-Backbone interact. energy: -0.039 local terms energy: -27.794680 where: bonds (distance) C4'-P energy: -3.949 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -5.682 flat angles P-C4'-P energy: -5.414 tors. eta vs tors. theta energy: -4.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -72.089050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.089050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.089050 (E_RNA) where: Base-Base interactions energy: -43.160 where: short stacking energy: -25.356 Base-Backbone interact. energy: -0.000 local terms energy: -28.928716 where: bonds (distance) C4'-P energy: -5.767 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -1.665 flat angles P-C4'-P energy: -6.380 tors. eta vs tors. theta energy: -6.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -45.385238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.385238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.385238 (E_RNA) where: Base-Base interactions energy: -16.862 where: short stacking energy: -12.139 Base-Backbone interact. energy: -0.311 local terms energy: -28.212581 where: bonds (distance) C4'-P energy: -5.370 bonds (distance) P-C4' energy: -8.097 flat angles C4'-P-C4' energy: -8.073 flat angles P-C4'-P energy: -5.354 tors. eta vs tors. theta energy: -1.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -40.842859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.842859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.842859 (E_RNA) where: Base-Base interactions energy: -16.944 where: short stacking energy: -7.786 Base-Backbone interact. energy: -0.013 local terms energy: -23.885468 where: bonds (distance) C4'-P energy: -6.329 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -3.919 flat angles P-C4'-P energy: -5.660 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: 9, replica: 9 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -43.910099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.910099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.910099 (E_RNA) where: Base-Base interactions energy: -15.009 where: short stacking energy: -15.009 Base-Backbone interact. energy: -0.002 local terms energy: -28.899919 where: bonds (distance) C4'-P energy: -7.579 bonds (distance) P-C4' energy: -7.731 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -4.116 tors. eta vs tors. theta energy: -3.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -39.636937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.636937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.636937 (E_RNA) where: Base-Base interactions energy: -14.775 where: short stacking energy: -14.775 Base-Backbone interact. energy: -0.051 local terms energy: -24.810922 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -4.336 flat angles P-C4'-P energy: -4.183 tors. eta vs tors. theta energy: -2.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -67.875396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.875396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.875396 (E_RNA) where: Base-Base interactions energy: -31.740 where: short stacking energy: -23.251 Base-Backbone interact. energy: -0.003 local terms energy: -36.133103 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -7.882 flat angles C4'-P-C4' energy: -7.496 flat angles P-C4'-P energy: -6.529 tors. eta vs tors. theta energy: -6.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -63.554804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.554804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.554804 (E_RNA) where: Base-Base interactions energy: -29.803 where: short stacking energy: -21.508 Base-Backbone interact. energy: 0.591 local terms energy: -34.342860 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.002 flat angles P-C4'-P energy: -4.339 tors. eta vs tors. theta energy: -4.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -51.269662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.269662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.269662 (E_RNA) where: Base-Base interactions energy: -21.714 where: short stacking energy: -9.945 Base-Backbone interact. energy: -0.481 local terms energy: -29.074063 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -6.302 flat angles P-C4'-P energy: -6.240 tors. eta vs tors. theta energy: -2.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -52.424543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.424543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.424543 (E_RNA) where: Base-Base interactions energy: -20.192 where: short stacking energy: -20.192 Base-Backbone interact. energy: 0.446 local terms energy: -32.678828 where: bonds (distance) C4'-P energy: -7.315 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -4.455 flat angles P-C4'-P energy: -6.809 tors. eta vs tors. theta energy: -4.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -65.058117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.058117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.058117 (E_RNA) where: Base-Base interactions energy: -34.472 where: short stacking energy: -28.185 Base-Backbone interact. energy: -0.025 local terms energy: -30.561244 where: bonds (distance) C4'-P energy: -5.399 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -4.327 flat angles P-C4'-P energy: -5.231 tors. eta vs tors. theta energy: -7.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -54.736693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.736693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.736693 (E_RNA) where: Base-Base interactions energy: -27.111 where: short stacking energy: -23.543 Base-Backbone interact. energy: -0.000 local terms energy: -27.625448 where: bonds (distance) C4'-P energy: -3.027 bonds (distance) P-C4' energy: -6.837 flat angles C4'-P-C4' energy: -6.365 flat angles P-C4'-P energy: -4.531 tors. eta vs tors. theta energy: -6.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -55.910009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.910009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.910009 (E_RNA) where: Base-Base interactions energy: -24.592 where: short stacking energy: -24.592 Base-Backbone interact. energy: -0.001 local terms energy: -31.317523 where: bonds (distance) C4'-P energy: -4.587 bonds (distance) P-C4' energy: -6.551 flat angles C4'-P-C4' energy: -6.858 flat angles P-C4'-P energy: -7.516 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: 8, replica: 1 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -48.331999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.331999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.331999 (E_RNA) where: Base-Base interactions energy: -20.114 where: short stacking energy: -20.114 Base-Backbone interact. energy: -0.014 local terms energy: -28.204590 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -2.356 flat angles P-C4'-P energy: -4.421 tors. eta vs tors. theta energy: -3.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -45.628521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.628521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.628521 (E_RNA) where: Base-Base interactions energy: -20.594 where: short stacking energy: -17.550 Base-Backbone interact. energy: -0.023 local terms energy: -25.011087 where: bonds (distance) C4'-P energy: -7.908 bonds (distance) P-C4' energy: -7.276 flat angles C4'-P-C4' energy: -8.206 flat angles P-C4'-P energy: -0.055 tors. eta vs tors. theta energy: -1.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -47.875212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.875212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.875212 (E_RNA) where: Base-Base interactions energy: -19.708 where: short stacking energy: -18.794 Base-Backbone interact. energy: -0.004 local terms energy: -28.163591 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -4.279 flat angles P-C4'-P energy: -4.136 tors. eta vs tors. theta energy: -4.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -71.160938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.160938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.160938 (E_RNA) where: Base-Base interactions energy: -42.151 where: short stacking energy: -15.393 Base-Backbone interact. energy: -0.014 local terms energy: -28.995450 where: bonds (distance) C4'-P energy: -5.571 bonds (distance) P-C4' energy: -7.435 flat angles C4'-P-C4' energy: -6.387 flat angles P-C4'-P energy: -5.780 tors. eta vs tors. theta energy: -3.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -65.987955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.987955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.987955 (E_RNA) where: Base-Base interactions energy: -30.096 where: short stacking energy: -25.755 Base-Backbone interact. energy: -0.007 local terms energy: -35.885379 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.524 flat angles P-C4'-P energy: -5.365 tors. eta vs tors. theta energy: -5.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -57.182570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.182570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.182570 (E_RNA) where: Base-Base interactions energy: -26.930 where: short stacking energy: -16.625 Base-Backbone interact. energy: -0.050 local terms energy: -30.203067 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -8.426 flat angles P-C4'-P energy: -5.038 tors. eta vs tors. theta energy: -0.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -54.280152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.280152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.280152 (E_RNA) where: Base-Base interactions energy: -21.794 where: short stacking energy: -21.794 Base-Backbone interact. energy: -0.169 local terms energy: -32.317006 where: bonds (distance) C4'-P energy: -5.362 bonds (distance) P-C4' energy: -8.504 flat angles C4'-P-C4' energy: -7.054 flat angles P-C4'-P energy: -5.225 tors. eta vs tors. theta energy: -6.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -53.706065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.706065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.706065 (E_RNA) where: Base-Base interactions energy: -23.292 where: short stacking energy: -23.292 Base-Backbone interact. energy: -0.119 local terms energy: -30.295221 where: bonds (distance) C4'-P energy: -7.390 bonds (distance) P-C4' energy: -5.701 flat angles C4'-P-C4' energy: -7.658 flat angles P-C4'-P energy: -4.910 tors. eta vs tors. theta energy: -4.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -54.931639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.931639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.931639 (E_RNA) where: Base-Base interactions energy: -27.301 where: short stacking energy: -23.660 Base-Backbone interact. energy: -0.006 local terms energy: -27.625050 where: bonds (distance) C4'-P energy: -6.813 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -6.806 flat angles P-C4'-P energy: -1.336 tors. eta vs tors. theta energy: -4.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -50.339225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.339225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.339225 (E_RNA) where: Base-Base interactions energy: -24.249 where: short stacking energy: -24.249 Base-Backbone interact. energy: -0.000 local terms energy: -26.090107 where: bonds (distance) C4'-P energy: -5.955 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -7.609 flat angles P-C4'-P energy: -0.147 tors. eta vs tors. theta energy: -5.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -48.438268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.438268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.438268 (E_RNA) where: Base-Base interactions energy: -18.456 where: short stacking energy: -18.456 Base-Backbone interact. energy: -0.001 local terms energy: -29.981525 where: bonds (distance) C4'-P energy: -6.061 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.130 flat angles P-C4'-P energy: -5.962 tors. eta vs tors. theta energy: -4.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -49.686230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.686230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.686230 (E_RNA) where: Base-Base interactions energy: -16.924 where: short stacking energy: -16.924 Base-Backbone interact. energy: -0.000 local terms energy: -32.762053 where: bonds (distance) C4'-P energy: -7.327 bonds (distance) P-C4' energy: -6.235 flat angles C4'-P-C4' energy: -7.903 flat angles P-C4'-P energy: -4.996 tors. eta vs tors. theta energy: -6.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -38.617916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.617916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.617916 (E_RNA) where: Base-Base interactions energy: -11.782 where: short stacking energy: -11.782 Base-Backbone interact. energy: -0.001 local terms energy: -26.835249 where: bonds (distance) C4'-P energy: -6.645 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -3.831 flat angles P-C4'-P energy: -5.959 tors. eta vs tors. theta energy: -1.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -63.033434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.033434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.033434 (E_RNA) where: Base-Base interactions energy: -25.950 where: short stacking energy: -25.950 Base-Backbone interact. energy: -0.000 local terms energy: -37.083001 where: bonds (distance) C4'-P energy: -8.299 bonds (distance) P-C4' energy: -7.297 flat angles C4'-P-C4' energy: -8.356 flat angles P-C4'-P energy: -6.365 tors. eta vs tors. theta energy: -6.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -60.253788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.253788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.253788 (E_RNA) where: Base-Base interactions energy: -26.853 where: short stacking energy: -26.853 Base-Backbone interact. energy: -0.005 local terms energy: -33.396604 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -7.560 flat angles C4'-P-C4' energy: -8.530 flat angles P-C4'-P energy: -4.138 tors. eta vs tors. theta energy: -5.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -65.640660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.640660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.640660 (E_RNA) where: Base-Base interactions energy: -27.815 where: short stacking energy: -27.815 Base-Backbone interact. energy: -0.000 local terms energy: -37.825367 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -6.146 flat angles P-C4'-P energy: -4.569 tors. eta vs tors. theta energy: -10.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -62.311577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.311577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.311577 (E_RNA) where: Base-Base interactions energy: -28.860 where: short stacking energy: -20.815 Base-Backbone interact. energy: -1.969 local terms energy: -31.483333 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -7.208 flat angles P-C4'-P energy: -4.970 tors. eta vs tors. theta energy: -4.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -58.875883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.875883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.875883 (E_RNA) where: Base-Base interactions energy: -27.632 where: short stacking energy: -24.887 Base-Backbone interact. energy: -0.006 local terms energy: -31.238279 where: bonds (distance) C4'-P energy: -4.351 bonds (distance) P-C4' energy: -8.076 flat angles C4'-P-C4' energy: -8.083 flat angles P-C4'-P energy: -4.184 tors. eta vs tors. theta energy: -6.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -53.410461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.410461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.410461 (E_RNA) where: Base-Base interactions energy: -25.027 where: short stacking energy: -25.027 Base-Backbone interact. energy: -0.000 local terms energy: -28.383072 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -5.901 flat angles C4'-P-C4' energy: -6.324 flat angles P-C4'-P energy: -3.343 tors. eta vs tors. theta energy: -5.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -50.240348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.240348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.240348 (E_RNA) where: Base-Base interactions energy: -25.069 where: short stacking energy: -13.455 Base-Backbone interact. energy: -0.737 local terms energy: -24.434386 where: bonds (distance) C4'-P energy: -7.183 bonds (distance) P-C4' energy: -5.923 flat angles C4'-P-C4' energy: -5.486 flat angles P-C4'-P energy: -6.002 tors. eta vs tors. theta energy: 0.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -51.352545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.352545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.352545 (E_RNA) where: Base-Base interactions energy: -23.098 where: short stacking energy: -23.098 Base-Backbone interact. energy: -0.000 local terms energy: -28.253846 where: bonds (distance) C4'-P energy: -6.151 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -5.738 flat angles P-C4'-P energy: -0.277 tors. eta vs tors. theta energy: -8.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -40.709977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.709977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.709977 (E_RNA) where: Base-Base interactions energy: -13.235 where: short stacking energy: -13.235 Base-Backbone interact. energy: -0.064 local terms energy: -27.411553 where: bonds (distance) C4'-P energy: -7.435 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.794 flat angles P-C4'-P energy: -4.658 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: 10, replica: 1 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -41.350043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.350043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.350043 (E_RNA) where: Base-Base interactions energy: -15.451 where: short stacking energy: -15.451 Base-Backbone interact. energy: -0.002 local terms energy: -25.897833 where: bonds (distance) C4'-P energy: -5.734 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -3.374 flat angles P-C4'-P energy: -5.034 tors. eta vs tors. theta energy: -4.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -68.213936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.213936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.213936 (E_RNA) where: Base-Base interactions energy: -29.507 where: short stacking energy: -29.507 Base-Backbone interact. energy: -0.159 local terms energy: -38.548005 where: bonds (distance) C4'-P energy: -8.962 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -8.865 flat angles P-C4'-P energy: -5.838 tors. eta vs tors. theta energy: -6.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -70.044703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.044703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.044703 (E_RNA) where: Base-Base interactions energy: -31.989 where: short stacking energy: -31.989 Base-Backbone interact. energy: -0.000 local terms energy: -38.056049 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -8.485 flat angles P-C4'-P energy: -3.912 tors. eta vs tors. theta energy: -10.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -51.551040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.551040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.551040 (E_RNA) where: Base-Base interactions energy: -21.362 where: short stacking energy: -12.006 Base-Backbone interact. energy: -0.065 local terms energy: -30.123772 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -7.983 flat angles C4'-P-C4' energy: -5.651 flat angles P-C4'-P energy: -4.934 tors. eta vs tors. theta energy: -3.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -57.964994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.964994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.964994 (E_RNA) where: Base-Base interactions energy: -24.767 where: short stacking energy: -21.267 Base-Backbone interact. energy: -0.061 local terms energy: -33.137257 where: bonds (distance) C4'-P energy: -6.508 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -8.710 flat angles P-C4'-P energy: -5.554 tors. eta vs tors. theta energy: -4.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -58.698245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.698245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.698245 (E_RNA) where: Base-Base interactions energy: -23.901 where: short stacking energy: -23.901 Base-Backbone interact. energy: -0.000 local terms energy: -34.796931 where: bonds (distance) C4'-P energy: -6.930 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.809 flat angles P-C4'-P energy: -3.320 tors. eta vs tors. theta energy: -7.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -49.151199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.151199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.151199 (E_RNA) where: Base-Base interactions energy: -18.746 where: short stacking energy: -17.544 Base-Backbone interact. energy: 0.022 local terms energy: -30.427051 where: bonds (distance) C4'-P energy: -5.050 bonds (distance) P-C4' energy: -7.612 flat angles C4'-P-C4' energy: -7.791 flat angles P-C4'-P energy: -5.012 tors. eta vs tors. theta energy: -4.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -40.854091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.854091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.854091 (E_RNA) where: Base-Base interactions energy: -14.142 where: short stacking energy: -12.963 Base-Backbone interact. energy: -0.140 local terms energy: -26.571948 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.917 flat angles P-C4'-P energy: -0.760 tors. eta vs tors. theta energy: -4.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -46.898508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.898508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.898508 (E_RNA) where: Base-Base interactions energy: -13.207 where: short stacking energy: -13.207 Base-Backbone interact. energy: 0.333 local terms energy: -34.024285 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -6.601 flat angles P-C4'-P energy: -6.639 tors. eta vs tors. theta energy: -5.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -48.716341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.716341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.716341 (E_RNA) where: Base-Base interactions energy: -22.609 where: short stacking energy: -22.174 Base-Backbone interact. energy: -0.022 local terms energy: -26.085607 where: bonds (distance) C4'-P energy: -7.447 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -3.663 flat angles P-C4'-P energy: -3.945 tors. eta vs tors. theta energy: -3.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -39.715013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.715013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.715013 (E_RNA) where: Base-Base interactions energy: -16.535 where: short stacking energy: -10.171 Base-Backbone interact. energy: -0.076 local terms energy: -23.103829 where: bonds (distance) C4'-P energy: -7.124 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -6.864 flat angles P-C4'-P energy: -2.941 tors. eta vs tors. theta energy: 0.447 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: 5 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -68.457930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.457930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.457930 (E_RNA) where: Base-Base interactions energy: -37.461 where: short stacking energy: -18.052 Base-Backbone interact. energy: -0.054 local terms energy: -30.943269 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.898 flat angles P-C4'-P energy: -5.008 tors. eta vs tors. theta energy: -2.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -62.130816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.130816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.130816 (E_RNA) where: Base-Base interactions energy: -28.158 where: short stacking energy: -28.158 Base-Backbone interact. energy: -0.000 local terms energy: -33.972667 where: bonds (distance) C4'-P energy: -5.974 bonds (distance) P-C4' energy: -5.672 flat angles C4'-P-C4' energy: -7.514 flat angles P-C4'-P energy: -4.056 tors. eta vs tors. theta energy: -10.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -59.748603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.748603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.748603 (E_RNA) where: Base-Base interactions energy: -27.499 where: short stacking energy: -27.499 Base-Backbone interact. energy: -0.031 local terms energy: -32.217987 where: bonds (distance) C4'-P energy: -6.967 bonds (distance) P-C4' energy: -5.775 flat angles C4'-P-C4' energy: -8.369 flat angles P-C4'-P energy: -4.991 tors. eta vs tors. theta energy: -6.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -64.042507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.042507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.042507 (E_RNA) where: Base-Base interactions energy: -34.232 where: short stacking energy: -20.532 Base-Backbone interact. energy: -0.310 local terms energy: -29.499620 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.811 flat angles P-C4'-P energy: -4.222 tors. eta vs tors. theta energy: -3.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -55.135375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.135375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.135375 (E_RNA) where: Base-Base interactions energy: -24.881 where: short stacking energy: -17.157 Base-Backbone interact. energy: -0.003 local terms energy: -30.251906 where: bonds (distance) C4'-P energy: -4.036 bonds (distance) P-C4' energy: -7.754 flat angles C4'-P-C4' energy: -7.590 flat angles P-C4'-P energy: -7.148 tors. eta vs tors. theta energy: -3.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -45.420555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.420555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.420555 (E_RNA) where: Base-Base interactions energy: -19.819 where: short stacking energy: -13.101 Base-Backbone interact. energy: -0.099 local terms energy: -25.502872 where: bonds (distance) C4'-P energy: -3.701 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -8.604 flat angles P-C4'-P energy: -6.497 tors. eta vs tors. theta energy: 0.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -43.369368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.369368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.369368 (E_RNA) where: Base-Base interactions energy: -18.858 where: short stacking energy: -18.706 Base-Backbone interact. energy: -0.005 local terms energy: -24.506063 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -5.117 flat angles C4'-P-C4' energy: -3.678 flat angles P-C4'-P energy: -5.259 tors. eta vs tors. theta energy: -3.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -46.314606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.314606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.314606 (E_RNA) where: Base-Base interactions energy: -15.028 where: short stacking energy: -15.028 Base-Backbone interact. energy: -0.070 local terms energy: -31.215890 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -7.234 flat angles C4'-P-C4' energy: -8.817 flat angles P-C4'-P energy: -7.178 tors. eta vs tors. theta energy: 0.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -43.820854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.820854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.820854 (E_RNA) where: Base-Base interactions energy: -14.583 where: short stacking energy: -14.583 Base-Backbone interact. energy: -0.023 local terms energy: -29.214142 where: bonds (distance) C4'-P energy: -6.702 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.023 flat angles P-C4'-P energy: -2.885 tors. eta vs tors. theta energy: -3.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -38.031895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.031895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.031895 (E_RNA) where: Base-Base interactions energy: -11.268 where: short stacking energy: -11.268 Base-Backbone interact. energy: -0.043 local terms energy: -26.721108 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -6.418 flat angles C4'-P-C4' energy: -5.966 flat angles P-C4'-P energy: -5.620 tors. eta vs tors. theta energy: -1.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -75.125325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.125325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.125325 (E_RNA) where: Base-Base interactions energy: -32.870 where: short stacking energy: -30.560 Base-Backbone interact. energy: -0.000 local terms energy: -42.255202 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -8.511 flat angles P-C4'-P energy: -6.181 tors. eta vs tors. theta energy: -11.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -67.102985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.102985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.102985 (E_RNA) where: Base-Base interactions energy: -32.620 where: short stacking energy: -32.310 Base-Backbone interact. energy: -0.001 local terms energy: -34.481913 where: bonds (distance) C4'-P energy: -4.197 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.178 flat angles P-C4'-P energy: -5.790 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: 3, replica: 6 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -60.857375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.857375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.857375 (E_RNA) where: Base-Base interactions energy: -28.724 where: short stacking energy: -28.724 Base-Backbone interact. energy: -0.000 local terms energy: -32.132899 where: bonds (distance) C4'-P energy: -3.734 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -7.390 flat angles P-C4'-P energy: -5.310 tors. eta vs tors. theta energy: -7.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -61.574473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.574473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.574473 (E_RNA) where: Base-Base interactions energy: -35.025 where: short stacking energy: -21.413 Base-Backbone interact. energy: -0.005 local terms energy: -26.543666 where: bonds (distance) C4'-P energy: -6.089 bonds (distance) P-C4' energy: -6.233 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: -3.928 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: 5, replica: 10 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -51.484596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.484596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.484596 (E_RNA) where: Base-Base interactions energy: -20.457 where: short stacking energy: -16.804 Base-Backbone interact. energy: -0.645 local terms energy: -30.382452 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -6.278 flat angles P-C4'-P energy: -5.612 tors. eta vs tors. theta energy: -2.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -52.956302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.956302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.956302 (E_RNA) where: Base-Base interactions energy: -19.607 where: short stacking energy: -19.607 Base-Backbone interact. energy: -0.004 local terms energy: -33.344940 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -6.679 flat angles P-C4'-P energy: -5.061 tors. eta vs tors. theta energy: -4.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -52.167878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.167878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.167878 (E_RNA) where: Base-Base interactions energy: -21.744 where: short stacking energy: -21.744 Base-Backbone interact. energy: -0.055 local terms energy: -30.368634 where: bonds (distance) C4'-P energy: -5.610 bonds (distance) P-C4' energy: -4.421 flat angles C4'-P-C4' energy: -7.267 flat angles P-C4'-P energy: -4.786 tors. eta vs tors. theta energy: -8.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -42.768325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.768325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.768325 (E_RNA) where: Base-Base interactions energy: -17.264 where: short stacking energy: -12.899 Base-Backbone interact. energy: -0.020 local terms energy: -25.484652 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -6.050 flat angles P-C4'-P energy: -6.101 tors. eta vs tors. theta energy: 0.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -38.772473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.772473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.772473 (E_RNA) where: Base-Base interactions energy: -11.713 where: short stacking energy: -11.434 Base-Backbone interact. energy: -0.028 local terms energy: -27.030819 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -8.821 flat angles P-C4'-P energy: -3.716 tors. eta vs tors. theta energy: 1.385 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: 10, replica: 9 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -47.139463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.139463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.139463 (E_RNA) where: Base-Base interactions energy: -21.222 where: short stacking energy: -16.709 Base-Backbone interact. energy: -0.004 local terms energy: -25.914336 where: bonds (distance) C4'-P energy: -5.809 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -7.753 flat angles P-C4'-P energy: -3.949 tors. eta vs tors. theta energy: -2.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -63.981602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.981602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.981602 (E_RNA) where: Base-Base interactions energy: -31.072 where: short stacking energy: -31.072 Base-Backbone interact. energy: -0.000 local terms energy: -32.909233 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -6.715 flat angles P-C4'-P energy: -3.130 tors. eta vs tors. theta energy: -7.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -69.600433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.600433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.600433 (E_RNA) where: Base-Base interactions energy: -35.466 where: short stacking energy: -27.097 Base-Backbone interact. energy: -0.010 local terms energy: -34.123775 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -5.580 flat angles P-C4'-P energy: -7.174 tors. eta vs tors. theta energy: -5.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -53.280110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.280110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.280110 (E_RNA) where: Base-Base interactions energy: -22.298 where: short stacking energy: -22.298 Base-Backbone interact. energy: -0.029 local terms energy: -30.953868 where: bonds (distance) C4'-P energy: -5.058 bonds (distance) P-C4' energy: -8.396 flat angles C4'-P-C4' energy: -6.081 flat angles P-C4'-P energy: -5.199 tors. eta vs tors. theta energy: -6.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -51.132332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.132332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.132332 (E_RNA) where: Base-Base interactions energy: -21.338 where: short stacking energy: -15.746 Base-Backbone interact. energy: -0.401 local terms energy: -29.393948 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -5.839 flat angles P-C4'-P energy: -4.181 tors. eta vs tors. theta energy: -3.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -55.367028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.367028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.367028 (E_RNA) where: Base-Base interactions energy: -26.359 where: short stacking energy: -21.472 Base-Backbone interact. energy: -0.064 local terms energy: -28.944024 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -8.031 flat angles P-C4'-P energy: -5.817 tors. eta vs tors. theta energy: -2.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -47.593868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.593868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.593868 (E_RNA) where: Base-Base interactions energy: -16.869 where: short stacking energy: -16.869 Base-Backbone interact. energy: -0.001 local terms energy: -30.723776 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.314 flat angles P-C4'-P energy: -4.566 tors. eta vs tors. theta energy: -3.833 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: 1 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -43.701591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.701591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.701591 (E_RNA) where: Base-Base interactions energy: -18.407 where: short stacking energy: -18.407 Base-Backbone interact. energy: -0.003 local terms energy: -25.292005 where: bonds (distance) C4'-P energy: -6.011 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -6.897 flat angles P-C4'-P energy: -4.564 tors. eta vs tors. theta energy: -0.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -48.724451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.724451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.724451 (E_RNA) where: Base-Base interactions energy: -22.832 where: short stacking energy: -22.832 Base-Backbone interact. energy: -0.000 local terms energy: -25.891771 where: bonds (distance) C4'-P energy: -5.821 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -5.110 flat angles P-C4'-P energy: -3.482 tors. eta vs tors. theta energy: -5.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -48.910576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.910576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.910576 (E_RNA) where: Base-Base interactions energy: -17.337 where: short stacking energy: -15.123 Base-Backbone interact. energy: -0.128 local terms energy: -31.446130 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.733 flat angles P-C4'-P energy: -4.753 tors. eta vs tors. theta energy: -3.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -41.939331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.939331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.939331 (E_RNA) where: Base-Base interactions energy: -16.702 where: short stacking energy: -16.702 Base-Backbone interact. energy: -0.008 local terms energy: -25.229350 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -7.034 flat angles C4'-P-C4' energy: -5.769 flat angles P-C4'-P energy: -3.504 tors. eta vs tors. theta energy: -2.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -75.715427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.715427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.715427 (E_RNA) where: Base-Base interactions energy: -37.045 where: short stacking energy: -36.607 Base-Backbone interact. energy: -0.000 local terms energy: -38.670484 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.869 flat angles P-C4'-P energy: -6.016 tors. eta vs tors. theta energy: -10.536 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: 2, replica: 5 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -74.825197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.825197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.825197 (E_RNA) where: Base-Base interactions energy: -38.480 where: short stacking energy: -26.721 Base-Backbone interact. energy: -0.001 local terms energy: -36.343963 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -9.461 flat angles P-C4'-P energy: -3.432 tors. eta vs tors. theta energy: -6.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -59.354061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.354061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.354061 (E_RNA) where: Base-Base interactions energy: -26.817 where: short stacking energy: -22.412 Base-Backbone interact. energy: -0.073 local terms energy: -32.464341 where: bonds (distance) C4'-P energy: -6.450 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.238 flat angles P-C4'-P energy: -6.574 tors. eta vs tors. theta energy: -4.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -47.545977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.545977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.545977 (E_RNA) where: Base-Base interactions energy: -16.516 where: short stacking energy: -16.516 Base-Backbone interact. energy: -0.003 local terms energy: -31.027715 where: bonds (distance) C4'-P energy: -6.761 bonds (distance) P-C4' energy: -5.284 flat angles C4'-P-C4' energy: -8.047 flat angles P-C4'-P energy: -4.953 tors. eta vs tors. theta energy: -5.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -48.685876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.685876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.685876 (E_RNA) where: Base-Base interactions energy: -14.342 where: short stacking energy: -14.342 Base-Backbone interact. energy: -0.199 local terms energy: -34.145080 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.483 flat angles P-C4'-P energy: -6.230 tors. eta vs tors. theta energy: -3.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -61.608391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.608391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.608391 (E_RNA) where: Base-Base interactions energy: -31.505 where: short stacking energy: -31.260 Base-Backbone interact. energy: -0.000 local terms energy: -30.103094 where: bonds (distance) C4'-P energy: -4.495 bonds (distance) P-C4' energy: -8.199 flat angles C4'-P-C4' energy: -7.549 flat angles P-C4'-P energy: -3.374 tors. eta vs tors. theta energy: -6.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -42.013265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.013265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.013265 (E_RNA) where: Base-Base interactions energy: -16.042 where: short stacking energy: -13.311 Base-Backbone interact. energy: -0.024 local terms energy: -25.946549 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -7.807 flat angles P-C4'-P energy: -4.207 tors. eta vs tors. theta energy: 1.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -53.106863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.106863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.106863 (E_RNA) where: Base-Base interactions energy: -24.055 where: short stacking energy: -24.055 Base-Backbone interact. energy: -0.000 local terms energy: -29.051917 where: bonds (distance) C4'-P energy: -5.655 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -6.443 flat angles P-C4'-P energy: -2.294 tors. eta vs tors. theta energy: -6.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -39.800986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.800986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.800986 (E_RNA) where: Base-Base interactions energy: -13.014 where: short stacking energy: -8.860 Base-Backbone interact. energy: 0.675 local terms energy: -27.462214 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -5.717 flat angles P-C4'-P energy: -4.783 tors. eta vs tors. theta energy: -0.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -41.228234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.228234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.228234 (E_RNA) where: Base-Base interactions energy: -12.022 where: short stacking energy: -8.441 Base-Backbone interact. energy: -0.000 local terms energy: -29.205835 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -6.849 flat angles P-C4'-P energy: -4.953 tors. eta vs tors. theta energy: -1.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -81.025942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.025942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.025942 (E_RNA) where: Base-Base interactions energy: -46.112 where: short stacking energy: -27.256 Base-Backbone interact. energy: -0.002 local terms energy: -34.912004 where: bonds (distance) C4'-P energy: -6.504 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -8.812 flat angles P-C4'-P energy: -3.829 tors. eta vs tors. theta energy: -7.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -62.637812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.637812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.637812 (E_RNA) where: Base-Base interactions energy: -26.961 where: short stacking energy: -26.961 Base-Backbone interact. energy: -0.000 local terms energy: -35.676018 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -7.207 flat angles C4'-P-C4' energy: -7.906 flat angles P-C4'-P energy: -6.067 tors. eta vs tors. theta energy: -7.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -59.235176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.235176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.235176 (E_RNA) where: Base-Base interactions energy: -31.341 where: short stacking energy: -22.085 Base-Backbone interact. energy: -0.001 local terms energy: -27.893061 where: bonds (distance) C4'-P energy: -6.434 bonds (distance) P-C4' energy: -7.938 flat angles C4'-P-C4' energy: -3.232 flat angles P-C4'-P energy: -4.591 tors. eta vs tors. theta energy: -5.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -53.652055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.652055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.652055 (E_RNA) where: Base-Base interactions energy: -21.163 where: short stacking energy: -10.040 Base-Backbone interact. energy: -0.006 local terms energy: -32.483046 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.049 flat angles P-C4'-P energy: -6.696 tors. eta vs tors. theta energy: -1.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -56.045891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.045891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.045891 (E_RNA) where: Base-Base interactions energy: -21.630 where: short stacking energy: -21.630 Base-Backbone interact. energy: -0.000 local terms energy: -34.415482 where: bonds (distance) C4'-P energy: -8.296 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -6.691 flat angles P-C4'-P energy: -4.327 tors. eta vs tors. theta energy: -6.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -46.672694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.672694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.672694 (E_RNA) where: Base-Base interactions energy: -13.033 where: short stacking energy: -12.635 Base-Backbone interact. energy: -0.227 local terms energy: -33.412696 where: bonds (distance) C4'-P energy: -5.668 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -9.271 flat angles P-C4'-P energy: -6.742 tors. eta vs tors. theta energy: -3.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -39.742881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.742881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.742881 (E_RNA) where: Base-Base interactions energy: -10.461 where: short stacking energy: -9.872 Base-Backbone interact. energy: -0.047 local terms energy: -29.235239 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -6.819 flat angles P-C4'-P energy: -5.830 tors. eta vs tors. theta energy: -0.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -50.533814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.533814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.533814 (E_RNA) where: Base-Base interactions energy: -20.466 where: short stacking energy: -20.308 Base-Backbone interact. energy: -0.000 local terms energy: -30.067768 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -8.594 flat angles P-C4'-P energy: -6.146 tors. eta vs tors. theta energy: -1.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -39.925532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.925532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.925532 (E_RNA) where: Base-Base interactions energy: -13.166 where: short stacking energy: -13.166 Base-Backbone interact. energy: -0.078 local terms energy: -26.681958 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -6.735 flat angles C4'-P-C4' energy: -7.357 flat angles P-C4'-P energy: -3.184 tors. eta vs tors. theta energy: -4.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -39.075485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.075485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.075485 (E_RNA) where: Base-Base interactions energy: -13.778 where: short stacking energy: -13.778 Base-Backbone interact. energy: -0.000 local terms energy: -25.296779 where: bonds (distance) C4'-P energy: -6.709 bonds (distance) P-C4' energy: -5.629 flat angles C4'-P-C4' energy: -7.173 flat angles P-C4'-P energy: -3.682 tors. eta vs tors. theta energy: -2.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -84.321922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.321922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.321922 (E_RNA) where: Base-Base interactions energy: -43.069 where: short stacking energy: -29.559 Base-Backbone interact. energy: -2.862 local terms energy: -38.390532 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -7.997 flat angles P-C4'-P energy: -6.889 tors. eta vs tors. theta energy: -8.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -49.044672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.044672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.044672 (E_RNA) where: Base-Base interactions energy: -18.419 where: short stacking energy: -18.419 Base-Backbone interact. energy: -0.092 local terms energy: -30.533853 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -6.566 flat angles P-C4'-P energy: -3.204 tors. eta vs tors. theta energy: -4.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -61.574147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.574147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.574147 (E_RNA) where: Base-Base interactions energy: -30.452 where: short stacking energy: -30.452 Base-Backbone interact. energy: -0.020 local terms energy: -31.102542 where: bonds (distance) C4'-P energy: -5.028 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -7.003 flat angles P-C4'-P energy: -4.795 tors. eta vs tors. theta energy: -7.602 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: 115 Temperature: 1.050000 Total energy: -50.492777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.492777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.492777 (E_RNA) where: Base-Base interactions energy: -21.490 where: short stacking energy: -21.490 Base-Backbone interact. energy: -0.143 local terms energy: -28.859753 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -7.407 flat angles C4'-P-C4' energy: -6.915 flat angles P-C4'-P energy: -5.506 tors. eta vs tors. theta energy: -2.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -49.264672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.264672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.264672 (E_RNA) where: Base-Base interactions energy: -16.769 where: short stacking energy: -16.769 Base-Backbone interact. energy: -0.023 local terms energy: -32.472992 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -6.390 flat angles P-C4'-P energy: -3.906 tors. eta vs tors. theta energy: -5.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -48.290773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.290773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.290773 (E_RNA) where: Base-Base interactions energy: -17.567 where: short stacking energy: -17.567 Base-Backbone interact. energy: -0.012 local terms energy: -30.711550 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.139 flat angles P-C4'-P energy: -5.499 tors. eta vs tors. theta energy: -3.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -40.806478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.806478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.806478 (E_RNA) where: Base-Base interactions energy: -20.182 where: short stacking energy: -20.182 Base-Backbone interact. energy: -0.033 local terms energy: -20.591511 where: bonds (distance) C4'-P energy: -2.144 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -3.331 flat angles P-C4'-P energy: -5.635 tors. eta vs tors. theta energy: -2.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -53.527571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.527571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.527571 (E_RNA) where: Base-Base interactions energy: -22.003 where: short stacking energy: -22.003 Base-Backbone interact. energy: -0.000 local terms energy: -31.524604 where: bonds (distance) C4'-P energy: -7.787 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -5.505 flat angles P-C4'-P energy: -5.006 tors. eta vs tors. theta energy: -4.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -44.204901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.204901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.204901 (E_RNA) where: Base-Base interactions energy: -10.512 where: short stacking energy: -10.512 Base-Backbone interact. energy: -0.000 local terms energy: -33.692446 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -6.790 flat angles P-C4'-P energy: -5.648 tors. eta vs tors. theta energy: -3.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -41.312443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.312443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.312443 (E_RNA) where: Base-Base interactions energy: -18.309 where: short stacking energy: -18.042 Base-Backbone interact. energy: -0.014 local terms energy: -22.989301 where: bonds (distance) C4'-P energy: -5.477 bonds (distance) P-C4' energy: -6.188 flat angles C4'-P-C4' energy: -5.341 flat angles P-C4'-P energy: -4.478 tors. eta vs tors. theta energy: -1.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -85.631242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.631242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.631242 (E_RNA) where: Base-Base interactions energy: -49.342 where: short stacking energy: -33.514 Base-Backbone interact. energy: -0.004 local terms energy: -36.285439 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -8.880 flat angles P-C4'-P energy: -6.874 tors. eta vs tors. theta energy: -6.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -67.032828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.032828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.032828 (E_RNA) where: Base-Base interactions energy: -29.064 where: short stacking energy: -29.064 Base-Backbone interact. energy: -0.014 local terms energy: -37.954332 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -7.402 flat angles P-C4'-P energy: -5.309 tors. eta vs tors. theta energy: -8.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -57.695962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.695962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.695962 (E_RNA) where: Base-Base interactions energy: -26.672 where: short stacking energy: -17.424 Base-Backbone interact. energy: -0.022 local terms energy: -31.002218 where: bonds (distance) C4'-P energy: -6.421 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.293 flat angles P-C4'-P energy: -5.423 tors. eta vs tors. theta energy: -5.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -67.421630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.421630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.421630 (E_RNA) where: Base-Base interactions energy: -31.098 where: short stacking energy: -20.632 Base-Backbone interact. energy: -0.058 local terms energy: -36.265305 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -6.420 flat angles P-C4'-P energy: -6.449 tors. eta vs tors. theta energy: -9.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -56.138460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.138460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.138460 (E_RNA) where: Base-Base interactions energy: -30.076 where: short stacking energy: -17.723 Base-Backbone interact. energy: -0.169 local terms energy: -25.893668 where: bonds (distance) C4'-P energy: -5.058 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -6.096 flat angles P-C4'-P energy: -3.130 tors. eta vs tors. theta energy: -2.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -53.666589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.666589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.666589 (E_RNA) where: Base-Base interactions energy: -17.384 where: short stacking energy: -17.384 Base-Backbone interact. energy: 0.121 local terms energy: -36.402864 where: bonds (distance) C4'-P energy: -8.727 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.189 flat angles P-C4'-P energy: -4.038 tors. eta vs tors. theta energy: -7.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -44.120858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.120858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.120858 (E_RNA) where: Base-Base interactions energy: -16.718 where: short stacking energy: -12.833 Base-Backbone interact. energy: -0.617 local terms energy: -26.785820 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -4.795 flat angles P-C4'-P energy: -4.055 tors. eta vs tors. theta energy: -2.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -48.823692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.823692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.823692 (E_RNA) where: Base-Base interactions energy: -20.498 where: short stacking energy: -11.480 Base-Backbone interact. energy: -0.031 local terms energy: -28.294267 where: bonds (distance) C4'-P energy: -5.833 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -8.998 flat angles P-C4'-P energy: -3.384 tors. eta vs tors. theta energy: -2.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -39.725414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.725414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.725414 (E_RNA) where: Base-Base interactions energy: -12.405 where: short stacking energy: -12.405 Base-Backbone interact. energy: -0.005 local terms energy: -27.314825 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -6.520 flat angles C4'-P-C4' energy: -7.437 flat angles P-C4'-P energy: -4.879 tors. eta vs tors. theta energy: -0.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -41.606505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.606505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.606505 (E_RNA) where: Base-Base interactions energy: -20.685 where: short stacking energy: -20.685 Base-Backbone interact. energy: -0.000 local terms energy: -20.920800 where: bonds (distance) C4'-P energy: 0.237 bonds (distance) P-C4' energy: -3.658 flat angles C4'-P-C4' energy: -5.473 flat angles P-C4'-P energy: -3.545 tors. eta vs tors. theta energy: -8.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -84.710015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.710015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.710015 (E_RNA) where: Base-Base interactions energy: -49.487 where: short stacking energy: -32.771 Base-Backbone interact. energy: 0.222 local terms energy: -35.444363 where: bonds (distance) C4'-P energy: -8.937 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -8.697 flat angles P-C4'-P energy: -4.944 tors. eta vs tors. theta energy: -6.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -74.591935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.591935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.591935 (E_RNA) where: Base-Base interactions energy: -36.731 where: short stacking energy: -30.522 Base-Backbone interact. energy: -0.030 local terms energy: -37.831125 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -8.094 flat angles C4'-P-C4' energy: -8.615 flat angles P-C4'-P energy: -4.324 tors. eta vs tors. theta energy: -8.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -58.370103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.370103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.370103 (E_RNA) where: Base-Base interactions energy: -22.488 where: short stacking energy: -22.488 Base-Backbone interact. energy: -0.000 local terms energy: -35.881765 where: bonds (distance) C4'-P energy: -6.711 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.276 flat angles P-C4'-P energy: -6.827 tors. eta vs tors. theta energy: -6.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -63.971499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.971499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.971499 (E_RNA) where: Base-Base interactions energy: -29.944 where: short stacking energy: -29.748 Base-Backbone interact. energy: -0.000 local terms energy: -34.027177 where: bonds (distance) C4'-P energy: -6.504 bonds (distance) P-C4' energy: -7.886 flat angles C4'-P-C4' energy: -4.113 flat angles P-C4'-P energy: -6.242 tors. eta vs tors. theta energy: -9.282 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: 4 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -54.466780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.466780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.466780 (E_RNA) where: Base-Base interactions energy: -30.642 where: short stacking energy: -19.104 Base-Backbone interact. energy: 0.844 local terms energy: -24.668015 where: bonds (distance) C4'-P energy: -5.568 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -2.820 flat angles P-C4'-P energy: -3.184 tors. eta vs tors. theta energy: -5.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -51.678296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.678296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.678296 (E_RNA) where: Base-Base interactions energy: -21.444 where: short stacking energy: -21.444 Base-Backbone interact. energy: -0.000 local terms energy: -30.233686 where: bonds (distance) C4'-P energy: -6.793 bonds (distance) P-C4' energy: -7.026 flat angles C4'-P-C4' energy: -6.908 flat angles P-C4'-P energy: -2.569 tors. eta vs tors. theta energy: -6.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -47.113495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.113495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.113495 (E_RNA) where: Base-Base interactions energy: -14.991 where: short stacking energy: -14.356 Base-Backbone interact. energy: -0.010 local terms energy: -32.112675 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -6.438 flat angles P-C4'-P energy: -4.986 tors. eta vs tors. theta energy: -3.164 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: 8, replica: 9 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -42.497607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.497607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.497607 (E_RNA) where: Base-Base interactions energy: -17.553 where: short stacking energy: -17.553 Base-Backbone interact. energy: -0.183 local terms energy: -24.762118 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -7.622 flat angles C4'-P-C4' energy: -6.555 flat angles P-C4'-P energy: -2.799 tors. eta vs tors. theta energy: -1.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -47.877138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.877138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.877138 (E_RNA) where: Base-Base interactions energy: -18.590 where: short stacking energy: -18.590 Base-Backbone interact. energy: -0.001 local terms energy: -29.285635 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -6.776 flat angles C4'-P-C4' energy: -7.547 flat angles P-C4'-P energy: -5.069 tors. eta vs tors. theta energy: -2.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -44.707309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.707309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.707309 (E_RNA) where: Base-Base interactions energy: -19.062 where: short stacking energy: -19.062 Base-Backbone interact. energy: -0.000 local terms energy: -25.645076 where: bonds (distance) C4'-P energy: -2.377 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -7.464 flat angles P-C4'-P energy: -4.116 tors. eta vs tors. theta energy: -5.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -60.016824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.016824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.016824 (E_RNA) where: Base-Base interactions energy: -30.848 where: short stacking energy: -20.852 Base-Backbone interact. energy: 0.043 local terms energy: -29.211334 where: bonds (distance) C4'-P energy: -5.767 bonds (distance) P-C4' energy: -6.241 flat angles C4'-P-C4' energy: -7.366 flat angles P-C4'-P energy: -5.384 tors. eta vs tors. theta energy: -4.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -73.414048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.414048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.414048 (E_RNA) where: Base-Base interactions energy: -37.415 where: short stacking energy: -28.147 Base-Backbone interact. energy: -0.984 local terms energy: -35.015633 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -5.928 flat angles P-C4'-P energy: -4.629 tors. eta vs tors. theta energy: -7.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -60.504312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.504312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.504312 (E_RNA) where: Base-Base interactions energy: -25.188 where: short stacking energy: -19.412 Base-Backbone interact. energy: -0.001 local terms energy: -35.315478 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -7.084 flat angles P-C4'-P energy: -6.406 tors. eta vs tors. theta energy: -5.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -60.183140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.183140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.183140 (E_RNA) where: Base-Base interactions energy: -25.773 where: short stacking energy: -23.875 Base-Backbone interact. energy: -0.000 local terms energy: -34.409501 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -7.947 flat angles C4'-P-C4' energy: -7.039 flat angles P-C4'-P energy: -6.261 tors. eta vs tors. theta energy: -5.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -54.023484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.023484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.023484 (E_RNA) where: Base-Base interactions energy: -20.137 where: short stacking energy: -20.076 Base-Backbone interact. energy: -0.005 local terms energy: -33.881780 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -7.886 flat angles C4'-P-C4' energy: -8.694 flat angles P-C4'-P energy: -3.255 tors. eta vs tors. theta energy: -6.636 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: 6, replica: 4 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -55.585620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.585620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.585620 (E_RNA) where: Base-Base interactions energy: -25.756 where: short stacking energy: -11.145 Base-Backbone interact. energy: -0.343 local terms energy: -29.486674 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -7.455 flat angles P-C4'-P energy: -5.001 tors. eta vs tors. theta energy: -2.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -44.603674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.603674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.603674 (E_RNA) where: Base-Base interactions energy: -14.886 where: short stacking energy: -14.886 Base-Backbone interact. energy: -0.001 local terms energy: -29.716877 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -7.640 flat angles P-C4'-P energy: -3.632 tors. eta vs tors. theta energy: -1.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -56.760922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.760922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.760922 (E_RNA) where: Base-Base interactions energy: -24.592 where: short stacking energy: -24.592 Base-Backbone interact. energy: -0.007 local terms energy: -32.162160 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -5.472 flat angles P-C4'-P energy: -5.909 tors. eta vs tors. theta energy: -4.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -42.438740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.438740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.438740 (E_RNA) where: Base-Base interactions energy: -12.373 where: short stacking energy: -12.373 Base-Backbone interact. energy: -0.067 local terms energy: -29.999319 where: bonds (distance) C4'-P energy: -5.095 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.680 flat angles P-C4'-P energy: -6.879 tors. eta vs tors. theta energy: -3.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -40.021187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.021187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.021187 (E_RNA) where: Base-Base interactions energy: -10.613 where: short stacking energy: -7.409 Base-Backbone interact. energy: -0.098 local terms energy: -29.309907 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -7.995 flat angles C4'-P-C4' energy: -6.363 flat angles P-C4'-P energy: -6.271 tors. eta vs tors. theta energy: -1.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -73.361854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.361854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.361854 (E_RNA) where: Base-Base interactions energy: -43.424 where: short stacking energy: -23.346 Base-Backbone interact. energy: 0.065 local terms energy: -30.002187 where: bonds (distance) C4'-P energy: -6.805 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.585 flat angles P-C4'-P energy: -4.154 tors. eta vs tors. theta energy: -2.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -66.604201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.604201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.604201 (E_RNA) where: Base-Base interactions energy: -36.320 where: short stacking energy: -22.225 Base-Backbone interact. energy: 0.373 local terms energy: -30.657287 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.713 flat angles P-C4'-P energy: -4.133 tors. eta vs tors. theta energy: -3.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -55.970824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.970824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.970824 (E_RNA) where: Base-Base interactions energy: -19.408 where: short stacking energy: -19.408 Base-Backbone interact. energy: -0.000 local terms energy: -36.562806 where: bonds (distance) C4'-P energy: -7.695 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.680 flat angles P-C4'-P energy: -6.514 tors. eta vs tors. theta energy: -6.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -57.589034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.589034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.589034 (E_RNA) where: Base-Base interactions energy: -22.787 where: short stacking energy: -21.117 Base-Backbone interact. energy: -0.000 local terms energy: -34.801834 where: bonds (distance) C4'-P energy: -5.787 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -8.386 flat angles P-C4'-P energy: -6.612 tors. eta vs tors. theta energy: -5.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -50.308317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.308317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.308317 (E_RNA) where: Base-Base interactions energy: -17.482 where: short stacking energy: -17.482 Base-Backbone interact. energy: -0.039 local terms energy: -32.787113 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.923 flat angles P-C4'-P energy: -4.029 tors. eta vs tors. theta energy: -3.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -46.494524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.494524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.494524 (E_RNA) where: Base-Base interactions energy: -13.602 where: short stacking energy: -13.602 Base-Backbone interact. energy: -0.006 local terms energy: -32.887352 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.603 flat angles P-C4'-P energy: -4.175 tors. eta vs tors. theta energy: -3.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -43.629008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.629008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.629008 (E_RNA) where: Base-Base interactions energy: -11.157 where: short stacking energy: -9.743 Base-Backbone interact. energy: -0.389 local terms energy: -32.082807 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -7.809 flat angles P-C4'-P energy: -5.486 tors. eta vs tors. theta energy: -2.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -40.976418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.976418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.976418 (E_RNA) where: Base-Base interactions energy: -14.717 where: short stacking energy: -14.717 Base-Backbone interact. energy: -0.004 local terms energy: -26.255431 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -7.616 flat angles P-C4'-P energy: -6.221 tors. eta vs tors. theta energy: 0.810 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: 6 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -50.958533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.958533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.958533 (E_RNA) where: Base-Base interactions energy: -20.084 where: short stacking energy: -16.948 Base-Backbone interact. energy: -0.009 local terms energy: -30.865651 where: bonds (distance) C4'-P energy: -6.239 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -5.508 flat angles P-C4'-P energy: -5.995 tors. eta vs tors. theta energy: -5.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -41.421298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.421298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.421298 (E_RNA) where: Base-Base interactions energy: -16.503 where: short stacking energy: -16.503 Base-Backbone interact. energy: -0.006 local terms energy: -24.912272 where: bonds (distance) C4'-P energy: -6.007 bonds (distance) P-C4' energy: -7.768 flat angles C4'-P-C4' energy: -6.496 flat angles P-C4'-P energy: -0.194 tors. eta vs tors. theta energy: -4.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -82.379433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.379433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.379433 (E_RNA) where: Base-Base interactions energy: -45.933 where: short stacking energy: -27.542 Base-Backbone interact. energy: -0.106 local terms energy: -36.341182 where: bonds (distance) C4'-P energy: -7.198 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.178 flat angles P-C4'-P energy: -4.985 tors. eta vs tors. theta energy: -6.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -63.657086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.657086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.657086 (E_RNA) where: Base-Base interactions energy: -30.297 where: short stacking energy: -27.668 Base-Backbone interact. energy: -0.031 local terms energy: -33.328715 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -6.297 flat angles C4'-P-C4' energy: -7.511 flat angles P-C4'-P energy: -6.715 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: 3, replica: 3 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -55.599333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.599333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.599333 (E_RNA) where: Base-Base interactions energy: -19.439 where: short stacking energy: -19.070 Base-Backbone interact. energy: -0.000 local terms energy: -36.160022 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -7.975 flat angles P-C4'-P energy: -4.620 tors. eta vs tors. theta energy: -7.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -59.937110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.937110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.937110 (E_RNA) where: Base-Base interactions energy: -22.883 where: short stacking energy: -22.741 Base-Backbone interact. energy: -0.100 local terms energy: -36.954672 where: bonds (distance) C4'-P energy: -6.967 bonds (distance) P-C4' energy: -8.806 flat angles C4'-P-C4' energy: -6.726 flat angles P-C4'-P energy: -5.836 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: 5, replica: 9 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -69.561200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.561200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.561200 (E_RNA) where: Base-Base interactions energy: -39.765 where: short stacking energy: -26.565 Base-Backbone interact. energy: -0.003 local terms energy: -29.793731 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -4.942 flat angles P-C4'-P energy: -5.598 tors. eta vs tors. theta energy: -4.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -48.464240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.464240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.464240 (E_RNA) where: Base-Base interactions energy: -18.257 where: short stacking energy: -18.257 Base-Backbone interact. energy: -0.003 local terms energy: -30.204197 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -7.922 flat angles P-C4'-P energy: -6.043 tors. eta vs tors. theta energy: -1.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -55.946029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.946029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.946029 (E_RNA) where: Base-Base interactions energy: -23.900 where: short stacking energy: -23.900 Base-Backbone interact. energy: -0.007 local terms energy: -32.039542 where: bonds (distance) C4'-P energy: -6.504 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.942 flat angles P-C4'-P energy: -4.890 tors. eta vs tors. theta energy: -4.122 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: 120 Temperature: 1.250000 Total energy: -46.885124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.885124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.885124 (E_RNA) where: Base-Base interactions energy: -19.668 where: short stacking energy: -8.795 Base-Backbone interact. energy: -0.006 local terms energy: -27.210558 where: bonds (distance) C4'-P energy: -5.373 bonds (distance) P-C4' energy: -8.054 flat angles C4'-P-C4' energy: -8.782 flat angles P-C4'-P energy: -3.597 tors. eta vs tors. theta energy: -1.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -51.547972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.547972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.547972 (E_RNA) where: Base-Base interactions energy: -20.624 where: short stacking energy: -20.624 Base-Backbone interact. energy: -0.045 local terms energy: -30.879525 where: bonds (distance) C4'-P energy: -6.901 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -7.955 flat angles P-C4'-P energy: -3.974 tors. eta vs tors. theta energy: -4.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -40.516750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.516750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.516750 (E_RNA) where: Base-Base interactions energy: -13.382 where: short stacking energy: -8.037 Base-Backbone interact. energy: -0.719 local terms energy: -26.415206 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -6.609 flat angles C4'-P-C4' energy: -7.510 flat angles P-C4'-P energy: -3.506 tors. eta vs tors. theta energy: -0.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -82.876738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.876738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.876738 (E_RNA) where: Base-Base interactions energy: -46.373 where: short stacking energy: -23.296 Base-Backbone interact. energy: -0.002 local terms energy: -36.501506 where: bonds (distance) C4'-P energy: -8.200 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.897 flat angles P-C4'-P energy: -4.700 tors. eta vs tors. theta energy: -8.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -67.071412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.071412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.071412 (E_RNA) where: Base-Base interactions energy: -27.803 where: short stacking energy: -27.803 Base-Backbone interact. energy: -0.000 local terms energy: -39.268308 where: bonds (distance) C4'-P energy: -7.552 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -8.136 flat angles P-C4'-P energy: -6.737 tors. eta vs tors. theta energy: -8.934 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: 121 Temperature: 1.000000 Total energy: -55.833976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.833976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.833976 (E_RNA) where: Base-Base interactions energy: -20.667 where: short stacking energy: -20.667 Base-Backbone interact. energy: -0.002 local terms energy: -35.164349 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -7.549 flat angles P-C4'-P energy: -7.243 tors. eta vs tors. theta energy: -2.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -49.784592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.784592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.784592 (E_RNA) where: Base-Base interactions energy: -21.326 where: short stacking energy: -18.332 Base-Backbone interact. energy: 0.261 local terms energy: -28.719012 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.920 flat angles P-C4'-P energy: -3.009 tors. eta vs tors. theta energy: -2.669 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: 2 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -51.138399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.138399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.138399 (E_RNA) where: Base-Base interactions energy: -17.191 where: short stacking energy: -17.191 Base-Backbone interact. energy: -0.026 local terms energy: -33.922308 where: bonds (distance) C4'-P energy: -5.734 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -6.722 flat angles P-C4'-P energy: -5.271 tors. eta vs tors. theta energy: -7.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -60.057599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.057599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.057599 (E_RNA) where: Base-Base interactions energy: -28.593 where: short stacking energy: -18.605 Base-Backbone interact. energy: -0.781 local terms energy: -30.683948 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -5.996 flat angles C4'-P-C4' energy: -7.622 flat angles P-C4'-P energy: -6.753 tors. eta vs tors. theta energy: -3.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -50.047440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.047440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.047440 (E_RNA) where: Base-Base interactions energy: -21.860 where: short stacking energy: -21.860 Base-Backbone interact. energy: -0.006 local terms energy: -28.181332 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -6.266 flat angles P-C4'-P energy: -2.978 tors. eta vs tors. theta energy: -3.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -47.129893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.129893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.129893 (E_RNA) where: Base-Base interactions energy: -25.216 where: short stacking energy: -21.858 Base-Backbone interact. energy: -0.002 local terms energy: -21.912438 where: bonds (distance) C4'-P energy: -5.989 bonds (distance) P-C4' energy: -3.864 flat angles C4'-P-C4' energy: -3.888 flat angles P-C4'-P energy: -3.639 tors. eta vs tors. theta energy: -4.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -41.390902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.390902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.390902 (E_RNA) where: Base-Base interactions energy: -16.537 where: short stacking energy: -16.537 Base-Backbone interact. energy: -0.005 local terms energy: -24.849143 where: bonds (distance) C4'-P energy: -6.441 bonds (distance) P-C4' energy: -7.886 flat angles C4'-P-C4' energy: -6.893 flat angles P-C4'-P energy: -5.151 tors. eta vs tors. theta energy: 1.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -41.208085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.208085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.208085 (E_RNA) where: Base-Base interactions energy: -13.318 where: short stacking energy: -13.318 Base-Backbone interact. energy: -0.137 local terms energy: -27.753117 where: bonds (distance) C4'-P energy: -6.934 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.198 flat angles P-C4'-P energy: -4.234 tors. eta vs tors. theta energy: -0.980 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: 1, replica: 5 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -70.832028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.832028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.832028 (E_RNA) where: Base-Base interactions energy: -31.353 where: short stacking energy: -31.353 Base-Backbone interact. energy: -0.000 local terms energy: -39.479353 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -7.579 flat angles P-C4'-P energy: -6.558 tors. eta vs tors. theta energy: -10.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -76.463711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.463711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.463711 (E_RNA) where: Base-Base interactions energy: -47.063 where: short stacking energy: -21.351 Base-Backbone interact. energy: -0.108 local terms energy: -29.292575 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -6.934 flat angles P-C4'-P energy: -4.691 tors. eta vs tors. theta energy: -5.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -56.365062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.365062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.365062 (E_RNA) where: Base-Base interactions energy: -23.741 where: short stacking energy: -23.741 Base-Backbone interact. energy: -0.007 local terms energy: -32.616816 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -8.569 flat angles C4'-P-C4' energy: -7.760 flat angles P-C4'-P energy: -4.150 tors. eta vs tors. theta energy: -4.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -52.147453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.147453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.147453 (E_RNA) where: Base-Base interactions energy: -23.301 where: short stacking energy: -19.797 Base-Backbone interact. energy: 0.110 local terms energy: -28.956481 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -4.172 flat angles C4'-P-C4' energy: -7.952 flat angles P-C4'-P energy: -4.951 tors. eta vs tors. theta energy: -5.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -50.768728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.768728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.768728 (E_RNA) where: Base-Base interactions energy: -23.124 where: short stacking energy: -23.124 Base-Backbone interact. energy: -0.066 local terms energy: -27.579399 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -5.685 flat angles P-C4'-P energy: -5.079 tors. eta vs tors. theta energy: -1.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -49.965355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.965355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.965355 (E_RNA) where: Base-Base interactions energy: -20.510 where: short stacking energy: -20.611 Base-Backbone interact. energy: 0.146 local terms energy: -29.601285 where: bonds (distance) C4'-P energy: -7.008 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -7.784 flat angles P-C4'-P energy: -5.321 tors. eta vs tors. theta energy: -0.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -48.520899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.520899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.520899 (E_RNA) where: Base-Base interactions energy: -19.653 where: short stacking energy: -19.392 Base-Backbone interact. energy: -0.000 local terms energy: -28.867495 where: bonds (distance) C4'-P energy: -3.974 bonds (distance) P-C4' energy: -6.797 flat angles C4'-P-C4' energy: -8.254 flat angles P-C4'-P energy: -3.794 tors. eta vs tors. theta energy: -6.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -46.309064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.309064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.309064 (E_RNA) where: Base-Base interactions energy: -15.839 where: short stacking energy: -15.839 Base-Backbone interact. energy: -0.037 local terms energy: -30.433954 where: bonds (distance) C4'-P energy: -7.206 bonds (distance) P-C4' energy: -8.094 flat angles C4'-P-C4' energy: -7.270 flat angles P-C4'-P energy: -3.574 tors. eta vs tors. theta energy: -4.290 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: 6 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -38.639782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.639782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.639782 (E_RNA) where: Base-Base interactions energy: -12.816 where: short stacking energy: -12.816 Base-Backbone interact. energy: -0.065 local terms energy: -25.758701 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -5.821 flat angles C4'-P-C4' energy: -4.948 flat angles P-C4'-P energy: -4.905 tors. eta vs tors. theta energy: -4.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -39.911258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.911258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.911258 (E_RNA) where: Base-Base interactions energy: -11.976 where: short stacking energy: -9.560 Base-Backbone interact. energy: -0.017 local terms energy: -27.918403 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -7.796 flat angles C4'-P-C4' energy: -7.569 flat angles P-C4'-P energy: -5.068 tors. eta vs tors. theta energy: -1.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -58.089460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.089460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.089460 (E_RNA) where: Base-Base interactions energy: -24.874 where: short stacking energy: -16.805 Base-Backbone interact. energy: -0.051 local terms energy: -33.163949 where: bonds (distance) C4'-P energy: -6.031 bonds (distance) P-C4' energy: -7.340 flat angles C4'-P-C4' energy: -8.901 flat angles P-C4'-P energy: -6.103 tors. eta vs tors. theta energy: -4.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -57.839490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.839490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.839490 (E_RNA) where: Base-Base interactions energy: -24.506 where: short stacking energy: -21.751 Base-Backbone interact. energy: -0.000 local terms energy: -33.333681 where: bonds (distance) C4'-P energy: -6.549 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.054 flat angles P-C4'-P energy: -5.429 tors. eta vs tors. theta energy: -5.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -76.323504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.323504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.323504 (E_RNA) where: Base-Base interactions energy: -44.859 where: short stacking energy: -19.259 Base-Backbone interact. energy: -0.101 local terms energy: -31.362548 where: bonds (distance) C4'-P energy: -5.894 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -7.264 flat angles P-C4'-P energy: -5.559 tors. eta vs tors. theta energy: -3.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -60.858324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.858324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.858324 (E_RNA) where: Base-Base interactions energy: -27.238 where: short stacking energy: -27.238 Base-Backbone interact. energy: -0.021 local terms energy: -33.599153 where: bonds (distance) C4'-P energy: -6.842 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -7.678 flat angles P-C4'-P energy: -4.509 tors. eta vs tors. theta energy: -7.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -61.198625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.198625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.198625 (E_RNA) where: Base-Base interactions energy: -28.643 where: short stacking energy: -28.643 Base-Backbone interact. energy: -0.000 local terms energy: -32.556099 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -3.544 flat angles C4'-P-C4' energy: -6.679 flat angles P-C4'-P energy: -4.273 tors. eta vs tors. theta energy: -10.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -53.257078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.257078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.257078 (E_RNA) where: Base-Base interactions energy: -23.003 where: short stacking energy: -23.003 Base-Backbone interact. energy: -0.001 local terms energy: -30.253416 where: bonds (distance) C4'-P energy: -4.427 bonds (distance) P-C4' energy: -7.270 flat angles C4'-P-C4' energy: -9.276 flat angles P-C4'-P energy: -3.738 tors. eta vs tors. theta energy: -5.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -44.760735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.760735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.760735 (E_RNA) where: Base-Base interactions energy: -17.668 where: short stacking energy: -12.026 Base-Backbone interact. energy: -0.040 local terms energy: -27.052691 where: bonds (distance) C4'-P energy: -6.645 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -6.827 flat angles P-C4'-P energy: -4.640 tors. eta vs tors. theta energy: -0.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -45.852337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.852337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.852337 (E_RNA) where: Base-Base interactions energy: -20.705 where: short stacking energy: -20.705 Base-Backbone interact. energy: -0.001 local terms energy: -25.146532 where: bonds (distance) C4'-P energy: -6.454 bonds (distance) P-C4' energy: -7.668 flat angles C4'-P-C4' energy: -2.910 flat angles P-C4'-P energy: -2.409 tors. eta vs tors. theta energy: -5.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -43.969913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.969913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.969913 (E_RNA) where: Base-Base interactions energy: -17.620 where: short stacking energy: -17.620 Base-Backbone interact. energy: -0.017 local terms energy: -26.333011 where: bonds (distance) C4'-P energy: -6.664 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -3.560 flat angles P-C4'-P energy: -4.390 tors. eta vs tors. theta energy: -4.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -40.965755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.965755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.965755 (E_RNA) where: Base-Base interactions energy: -13.868 where: short stacking energy: -3.843 Base-Backbone interact. energy: -0.117 local terms energy: -26.980501 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -5.584 flat angles P-C4'-P energy: -3.643 tors. eta vs tors. theta energy: -0.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -67.748107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.748107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.748107 (E_RNA) where: Base-Base interactions energy: -35.456 where: short stacking energy: -27.914 Base-Backbone interact. energy: -0.031 local terms energy: -32.261618 where: bonds (distance) C4'-P energy: -8.118 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.985 flat angles P-C4'-P energy: -3.015 tors. eta vs tors. theta energy: -3.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -63.512363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.512363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.512363 (E_RNA) where: Base-Base interactions energy: -26.216 where: short stacking energy: -26.216 Base-Backbone interact. energy: -0.000 local terms energy: -37.296104 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -9.646 flat angles P-C4'-P energy: -5.733 tors. eta vs tors. theta energy: -6.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -62.437325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.437325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.437325 (E_RNA) where: Base-Base interactions energy: -24.287 where: short stacking energy: -24.287 Base-Backbone interact. energy: -0.000 local terms energy: -38.150023 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.775 flat angles P-C4'-P energy: -4.021 tors. eta vs tors. theta energy: -8.958 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: 10 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -65.222086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.222086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.222086 (E_RNA) where: Base-Base interactions energy: -31.459 where: short stacking energy: -25.012 Base-Backbone interact. energy: -0.001 local terms energy: -33.761809 where: bonds (distance) C4'-P energy: -4.863 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -7.867 flat angles P-C4'-P energy: -5.852 tors. eta vs tors. theta energy: -7.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -60.287414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.287414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.287414 (E_RNA) where: Base-Base interactions energy: -31.747 where: short stacking energy: -21.002 Base-Backbone interact. energy: -0.000 local terms energy: -28.540053 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -5.423 flat angles P-C4'-P energy: -0.689 tors. eta vs tors. theta energy: -6.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -58.955413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.955413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.955413 (E_RNA) where: Base-Base interactions energy: -23.721 where: short stacking energy: -23.721 Base-Backbone interact. energy: -0.002 local terms energy: -35.232876 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -8.250 flat angles P-C4'-P energy: -5.136 tors. eta vs tors. theta energy: -4.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -49.018272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.018272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.018272 (E_RNA) where: Base-Base interactions energy: -17.688 where: short stacking energy: -17.688 Base-Backbone interact. energy: -0.000 local terms energy: -31.330319 where: bonds (distance) C4'-P energy: -7.385 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.800 flat angles P-C4'-P energy: -3.154 tors. eta vs tors. theta energy: -3.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -43.396932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.396932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.396932 (E_RNA) where: Base-Base interactions energy: -15.868 where: short stacking energy: -15.868 Base-Backbone interact. energy: -0.089 local terms energy: -27.439005 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -5.894 flat angles P-C4'-P energy: -3.611 tors. eta vs tors. theta energy: -1.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -46.495862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.495862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.495862 (E_RNA) where: Base-Base interactions energy: -15.892 where: short stacking energy: -15.892 Base-Backbone interact. energy: -0.001 local terms energy: -30.603063 where: bonds (distance) C4'-P energy: -5.323 bonds (distance) P-C4' energy: -7.425 flat angles C4'-P-C4' energy: -8.156 flat angles P-C4'-P energy: -5.028 tors. eta vs tors. theta energy: -4.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -38.238465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.238465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.238465 (E_RNA) where: Base-Base interactions energy: -10.977 where: short stacking energy: -6.627 Base-Backbone interact. energy: -0.009 local terms energy: -27.252768 where: bonds (distance) C4'-P energy: -9.136 bonds (distance) P-C4' energy: -9.804 flat angles C4'-P-C4' energy: -7.002 flat angles P-C4'-P energy: -0.546 tors. eta vs tors. theta energy: -0.764 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: 5 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -67.917451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.917451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.917451 (E_RNA) where: Base-Base interactions energy: -35.950 where: short stacking energy: -26.231 Base-Backbone interact. energy: -0.007 local terms energy: -31.960615 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -4.628 tors. eta vs tors. theta energy: -5.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -64.487141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.487141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.487141 (E_RNA) where: Base-Base interactions energy: -30.653 where: short stacking energy: -30.653 Base-Backbone interact. energy: -0.002 local terms energy: -33.832926 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -8.569 flat angles C4'-P-C4' energy: -5.439 flat angles P-C4'-P energy: -5.403 tors. eta vs tors. theta energy: -6.756 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: 9 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -66.347032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.347032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.347032 (E_RNA) where: Base-Base interactions energy: -31.787 where: short stacking energy: -31.787 Base-Backbone interact. energy: -0.000 local terms energy: -34.559226 where: bonds (distance) C4'-P energy: -6.585 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.165 flat angles P-C4'-P energy: -4.238 tors. eta vs tors. theta energy: -9.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -51.547561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.547561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.547561 (E_RNA) where: Base-Base interactions energy: -22.310 where: short stacking energy: -22.310 Base-Backbone interact. energy: -0.059 local terms energy: -29.178047 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -5.790 flat angles C4'-P-C4' energy: -8.732 flat angles P-C4'-P energy: -2.046 tors. eta vs tors. theta energy: -3.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -63.151592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.151592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.151592 (E_RNA) where: Base-Base interactions energy: -29.120 where: short stacking energy: -25.566 Base-Backbone interact. energy: -0.016 local terms energy: -34.014984 where: bonds (distance) C4'-P energy: -5.741 bonds (distance) P-C4' energy: -7.020 flat angles C4'-P-C4' energy: -8.124 flat angles P-C4'-P energy: -5.427 tors. eta vs tors. theta energy: -7.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -56.542663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.542663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.542663 (E_RNA) where: Base-Base interactions energy: -22.881 where: short stacking energy: -20.200 Base-Backbone interact. energy: -0.008 local terms energy: -33.654327 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -6.315 flat angles P-C4'-P energy: -5.016 tors. eta vs tors. theta energy: -5.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -48.846182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.846182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.846182 (E_RNA) where: Base-Base interactions energy: -13.177 where: short stacking energy: -13.177 Base-Backbone interact. energy: -0.000 local terms energy: -35.669595 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.683 flat angles P-C4'-P energy: -5.990 tors. eta vs tors. theta energy: -4.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -45.199375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.199375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.199375 (E_RNA) where: Base-Base interactions energy: -13.624 where: short stacking energy: -13.406 Base-Backbone interact. energy: -0.391 local terms energy: -31.183999 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.358 flat angles P-C4'-P energy: -2.942 tors. eta vs tors. theta energy: -2.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -52.779723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.779723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.779723 (E_RNA) where: Base-Base interactions energy: -20.304 where: short stacking energy: -20.304 Base-Backbone interact. energy: -0.100 local terms energy: -32.376122 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -7.873 flat angles C4'-P-C4' energy: -5.566 flat angles P-C4'-P energy: -5.490 tors. eta vs tors. theta energy: -6.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -42.848547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.848547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.848547 (E_RNA) where: Base-Base interactions energy: -13.315 where: short stacking energy: -13.315 Base-Backbone interact. energy: 0.036 local terms energy: -29.569445 where: bonds (distance) C4'-P energy: -6.176 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -8.003 flat angles P-C4'-P energy: -2.654 tors. eta vs tors. theta energy: -2.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -68.915549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.915549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.915549 (E_RNA) where: Base-Base interactions energy: -30.775 where: short stacking energy: -30.775 Base-Backbone interact. energy: -0.001 local terms energy: -38.140181 where: bonds (distance) C4'-P energy: -5.818 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.404 flat angles P-C4'-P energy: -5.382 tors. eta vs tors. theta energy: -9.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -75.344899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.344899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.344899 (E_RNA) where: Base-Base interactions energy: -37.714 where: short stacking energy: -23.057 Base-Backbone interact. energy: -0.000 local terms energy: -37.630657 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -6.118 flat angles P-C4'-P energy: -5.444 tors. eta vs tors. theta energy: -8.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -62.881416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.881416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.881416 (E_RNA) where: Base-Base interactions energy: -28.830 where: short stacking energy: -28.830 Base-Backbone interact. energy: -0.000 local terms energy: -34.051271 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -6.625 flat angles P-C4'-P energy: -4.344 tors. eta vs tors. theta energy: -6.568 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: 4, replica: 7 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -50.674730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.674730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.674730 (E_RNA) where: Base-Base interactions energy: -20.623 where: short stacking energy: -20.623 Base-Backbone interact. energy: -0.023 local terms energy: -30.028946 where: bonds (distance) C4'-P energy: -4.524 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -8.159 flat angles P-C4'-P energy: -5.305 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: 5, replica: 10 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -54.619395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.619395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.619395 (E_RNA) where: Base-Base interactions energy: -22.149 where: short stacking energy: -15.888 Base-Backbone interact. energy: -0.028 local terms energy: -32.442350 where: bonds (distance) C4'-P energy: -6.893 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.684 flat angles P-C4'-P energy: -6.246 tors. eta vs tors. theta energy: -2.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -53.985668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.985668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.985668 (E_RNA) where: Base-Base interactions energy: -23.391 where: short stacking energy: -23.391 Base-Backbone interact. energy: -0.000 local terms energy: -30.594873 where: bonds (distance) C4'-P energy: -5.629 bonds (distance) P-C4' energy: -6.946 flat angles C4'-P-C4' energy: -7.600 flat angles P-C4'-P energy: -4.783 tors. eta vs tors. theta energy: -5.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -50.985951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.985951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.985951 (E_RNA) where: Base-Base interactions energy: -24.145 where: short stacking energy: -12.214 Base-Backbone interact. energy: -0.124 local terms energy: -26.716851 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -7.074 flat angles P-C4'-P energy: -1.454 tors. eta vs tors. theta energy: -0.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -48.840473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.840473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.840473 (E_RNA) where: Base-Base interactions energy: -16.617 where: short stacking energy: -16.617 Base-Backbone interact. energy: -0.008 local terms energy: -32.215524 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -7.128 flat angles C4'-P-C4' energy: -6.697 flat angles P-C4'-P energy: -6.429 tors. eta vs tors. theta energy: -3.814 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: 6 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -46.899631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.899631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.899631 (E_RNA) where: Base-Base interactions energy: -15.885 where: short stacking energy: -15.885 Base-Backbone interact. energy: -0.004 local terms energy: -31.010576 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -7.108 flat angles P-C4'-P energy: -3.652 tors. eta vs tors. theta energy: -2.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -40.177543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.177543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.177543 (E_RNA) where: Base-Base interactions energy: -12.794 where: short stacking energy: -12.228 Base-Backbone interact. energy: -0.054 local terms energy: -27.329358 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -7.080 flat angles P-C4'-P energy: -2.380 tors. eta vs tors. theta energy: -2.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -65.505204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.505204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.505204 (E_RNA) where: Base-Base interactions energy: -26.532 where: short stacking energy: -26.532 Base-Backbone interact. energy: -0.021 local terms energy: -38.952082 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.764 flat angles P-C4'-P energy: -6.483 tors. eta vs tors. theta energy: -8.822 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: 9 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -67.022400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.022400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.022400 (E_RNA) where: Base-Base interactions energy: -30.577 where: short stacking energy: -30.577 Base-Backbone interact. energy: -0.008 local terms energy: -36.437158 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -6.327 flat angles P-C4'-P energy: -6.164 tors. eta vs tors. theta energy: -8.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -63.245431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.245431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.245431 (E_RNA) where: Base-Base interactions energy: -30.041 where: short stacking energy: -16.816 Base-Backbone interact. energy: -0.024 local terms energy: -33.180685 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -6.181 flat angles P-C4'-P energy: -4.760 tors. eta vs tors. theta energy: -5.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -50.322111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.322111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.322111 (E_RNA) where: Base-Base interactions energy: -15.849 where: short stacking energy: -15.849 Base-Backbone interact. energy: -0.001 local terms energy: -34.471886 where: bonds (distance) C4'-P energy: -5.804 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.587 flat angles P-C4'-P energy: -4.921 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: 5, replica: 7 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -54.756980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.756980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.756980 (E_RNA) where: Base-Base interactions energy: -25.657 where: short stacking energy: -19.853 Base-Backbone interact. energy: -0.110 local terms energy: -28.990050 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -6.052 flat angles P-C4'-P energy: -3.624 tors. eta vs tors. theta energy: -1.379 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: 4 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -49.657821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.657821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.657821 (E_RNA) where: Base-Base interactions energy: -18.275 where: short stacking energy: -18.275 Base-Backbone interact. energy: -0.012 local terms energy: -31.371412 where: bonds (distance) C4'-P energy: -7.989 bonds (distance) P-C4' energy: -8.625 flat angles C4'-P-C4' energy: -6.664 flat angles P-C4'-P energy: -5.081 tors. eta vs tors. theta energy: -3.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -46.543685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.543685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.543685 (E_RNA) where: Base-Base interactions energy: -16.920 where: short stacking energy: -16.019 Base-Backbone interact. energy: -0.001 local terms energy: -29.622174 where: bonds (distance) C4'-P energy: -7.554 bonds (distance) P-C4' energy: -8.072 flat angles C4'-P-C4' energy: -8.300 flat angles P-C4'-P energy: -4.617 tors. eta vs tors. theta energy: -1.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -42.067648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.067648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.067648 (E_RNA) where: Base-Base interactions energy: -18.642 where: short stacking energy: -18.642 Base-Backbone interact. energy: -0.046 local terms energy: -23.378709 where: bonds (distance) C4'-P energy: -4.927 bonds (distance) P-C4' energy: -3.911 flat angles C4'-P-C4' energy: -5.305 flat angles P-C4'-P energy: -5.881 tors. eta vs tors. theta energy: -3.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -49.727815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.727815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.727815 (E_RNA) where: Base-Base interactions energy: -20.500 where: short stacking energy: -20.500 Base-Backbone interact. energy: -0.018 local terms energy: -29.208940 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -5.238 flat angles C4'-P-C4' energy: -7.353 flat angles P-C4'-P energy: -4.723 tors. eta vs tors. theta energy: -3.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -40.109990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.109990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.109990 (E_RNA) where: Base-Base interactions energy: -12.647 where: short stacking energy: -11.702 Base-Backbone interact. energy: -0.011 local terms energy: -27.452434 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -6.242 flat angles P-C4'-P energy: -3.881 tors. eta vs tors. theta energy: -1.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -58.824264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.824264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.824264 (E_RNA) where: Base-Base interactions energy: -22.560 where: short stacking energy: -22.560 Base-Backbone interact. energy: -0.018 local terms energy: -36.246106 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -8.268 flat angles P-C4'-P energy: -5.022 tors. eta vs tors. theta energy: -6.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -62.123887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.123887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.123887 (E_RNA) where: Base-Base interactions energy: -26.726 where: short stacking energy: -26.726 Base-Backbone interact. energy: -0.082 local terms energy: -35.315349 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.676 flat angles P-C4'-P energy: -5.132 tors. eta vs tors. theta energy: -6.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -53.855067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.855067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.855067 (E_RNA) where: Base-Base interactions energy: -22.229 where: short stacking energy: -22.229 Base-Backbone interact. energy: -0.000 local terms energy: -31.626236 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -6.084 flat angles P-C4'-P energy: -5.621 tors. eta vs tors. theta energy: -5.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -65.192955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.192955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.192955 (E_RNA) where: Base-Base interactions energy: -30.381 where: short stacking energy: -25.888 Base-Backbone interact. energy: -0.005 local terms energy: -34.807358 where: bonds (distance) C4'-P energy: -6.731 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -8.304 flat angles P-C4'-P energy: -4.366 tors. eta vs tors. theta energy: -6.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -56.455901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.455901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.455901 (E_RNA) where: Base-Base interactions energy: -27.058 where: short stacking energy: -24.701 Base-Backbone interact. energy: -0.000 local terms energy: -29.398073 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.194 flat angles P-C4'-P energy: -3.213 tors. eta vs tors. theta energy: -4.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -52.215277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.215277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.215277 (E_RNA) where: Base-Base interactions energy: -24.683 where: short stacking energy: -24.683 Base-Backbone interact. energy: -0.001 local terms energy: -27.531296 where: bonds (distance) C4'-P energy: -4.044 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -5.033 tors. eta vs tors. theta energy: -6.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -48.535971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.535971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.535971 (E_RNA) where: Base-Base interactions energy: -16.613 where: short stacking energy: -16.613 Base-Backbone interact. energy: -0.008 local terms energy: -31.915071 where: bonds (distance) C4'-P energy: -5.701 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.863 flat angles P-C4'-P energy: -6.361 tors. eta vs tors. theta energy: -2.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -45.592282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.592282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.592282 (E_RNA) where: Base-Base interactions energy: -20.709 where: short stacking energy: -20.709 Base-Backbone interact. energy: -0.004 local terms energy: -24.879633 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -5.243 flat angles C4'-P-C4' energy: -6.714 flat angles P-C4'-P energy: -1.199 tors. eta vs tors. theta energy: -4.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -45.438951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.438951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.438951 (E_RNA) where: Base-Base interactions energy: -15.742 where: short stacking energy: -15.742 Base-Backbone interact. energy: -0.055 local terms energy: -29.641078 where: bonds (distance) C4'-P energy: -6.905 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -7.246 flat angles P-C4'-P energy: -4.951 tors. eta vs tors. theta energy: -2.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -37.899584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.899584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.899584 (E_RNA) where: Base-Base interactions energy: -11.104 where: short stacking energy: -11.104 Base-Backbone interact. energy: -0.034 local terms energy: -26.761505 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.305 flat angles P-C4'-P energy: -2.865 tors. eta vs tors. theta energy: -1.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -62.453600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.453600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.453600 (E_RNA) where: Base-Base interactions energy: -27.394 where: short stacking energy: -27.394 Base-Backbone interact. energy: -0.008 local terms energy: -35.051819 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -6.370 flat angles P-C4'-P energy: -6.021 tors. eta vs tors. theta energy: -5.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -56.302030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.302030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.302030 (E_RNA) where: Base-Base interactions energy: -26.154 where: short stacking energy: -26.154 Base-Backbone interact. energy: -0.075 local terms energy: -30.073433 where: bonds (distance) C4'-P energy: -5.626 bonds (distance) P-C4' energy: -4.973 flat angles C4'-P-C4' energy: -8.543 flat angles P-C4'-P energy: -6.020 tors. eta vs tors. theta energy: -4.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -55.608550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.608550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.608550 (E_RNA) where: Base-Base interactions energy: -21.836 where: short stacking energy: -21.836 Base-Backbone interact. energy: -0.065 local terms energy: -33.707939 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -8.130 flat angles P-C4'-P energy: -3.576 tors. eta vs tors. theta energy: -7.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -64.096884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.096884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.096884 (E_RNA) where: Base-Base interactions energy: -32.720 where: short stacking energy: -28.019 Base-Backbone interact. energy: -0.210 local terms energy: -31.167117 where: bonds (distance) C4'-P energy: -4.338 bonds (distance) P-C4' energy: -7.628 flat angles C4'-P-C4' energy: -8.389 flat angles P-C4'-P energy: -6.147 tors. eta vs tors. theta energy: -4.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -58.019464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.019464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.019464 (E_RNA) where: Base-Base interactions energy: -25.198 where: short stacking energy: -23.353 Base-Backbone interact. energy: -0.000 local terms energy: -32.821667 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.312 flat angles C4'-P-C4' energy: -8.885 flat angles P-C4'-P energy: -4.976 tors. eta vs tors. theta energy: -6.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -48.995895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.995895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.995895 (E_RNA) where: Base-Base interactions energy: -18.881 where: short stacking energy: -18.881 Base-Backbone interact. energy: -0.073 local terms energy: -30.041856 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.802 flat angles P-C4'-P energy: -4.197 tors. eta vs tors. theta energy: -3.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -47.578869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.578869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.578869 (E_RNA) where: Base-Base interactions energy: -20.971 where: short stacking energy: -10.117 Base-Backbone interact. energy: -0.012 local terms energy: -26.596125 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.143 flat angles P-C4'-P energy: -2.909 tors. eta vs tors. theta energy: -1.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -55.977538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.977538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.977538 (E_RNA) where: Base-Base interactions energy: -27.116 where: short stacking energy: -18.785 Base-Backbone interact. energy: -0.159 local terms energy: -28.702319 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.067 flat angles P-C4'-P energy: -5.209 tors. eta vs tors. theta energy: -2.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -41.956393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.956393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.956393 (E_RNA) where: Base-Base interactions energy: -16.006 where: short stacking energy: -16.006 Base-Backbone interact. energy: -0.138 local terms energy: -25.813080 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -5.777 flat angles P-C4'-P energy: -4.511 tors. eta vs tors. theta energy: -0.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -41.158784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.158784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.158784 (E_RNA) where: Base-Base interactions energy: -8.391 where: short stacking energy: -7.861 Base-Backbone interact. energy: -0.066 local terms energy: -32.700957 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -8.522 flat angles P-C4'-P energy: -5.001 tors. eta vs tors. theta energy: -3.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -82.130248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.130248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.130248 (E_RNA) where: Base-Base interactions energy: -48.306 where: short stacking energy: -30.816 Base-Backbone interact. energy: -0.098 local terms energy: -33.726432 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -8.570 flat angles C4'-P-C4' energy: -7.592 flat angles P-C4'-P energy: -4.375 tors. eta vs tors. theta energy: -7.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -56.293901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.293901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.293901 (E_RNA) where: Base-Base interactions energy: -22.251 where: short stacking energy: -22.251 Base-Backbone interact. energy: -0.054 local terms energy: -33.989338 where: bonds (distance) C4'-P energy: -7.038 bonds (distance) P-C4' energy: -9.120 flat angles C4'-P-C4' energy: -6.764 flat angles P-C4'-P energy: -6.460 tors. eta vs tors. theta energy: -4.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -65.138760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.138760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.138760 (E_RNA) where: Base-Base interactions energy: -36.147 where: short stacking energy: -19.149 Base-Backbone interact. energy: -0.607 local terms energy: -28.384583 where: bonds (distance) C4'-P energy: -6.424 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -5.860 flat angles P-C4'-P energy: -5.618 tors. eta vs tors. theta energy: -4.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -57.714204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.714204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.714204 (E_RNA) where: Base-Base interactions energy: -24.743 where: short stacking energy: -24.743 Base-Backbone interact. energy: -0.001 local terms energy: -32.970297 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -7.725 flat angles P-C4'-P energy: -5.480 tors. eta vs tors. theta energy: -3.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -53.986076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.986076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.986076 (E_RNA) where: Base-Base interactions energy: -22.135 where: short stacking energy: -13.095 Base-Backbone interact. energy: -0.532 local terms energy: -31.318805 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.689 flat angles P-C4'-P energy: -4.757 tors. eta vs tors. theta energy: -3.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -43.274116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.274116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.274116 (E_RNA) where: Base-Base interactions energy: -16.031 where: short stacking energy: -6.092 Base-Backbone interact. energy: -0.130 local terms energy: -27.113285 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -6.843 flat angles C4'-P-C4' energy: -8.422 flat angles P-C4'-P energy: -4.500 tors. eta vs tors. theta energy: 0.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -45.501119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.501119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.501119 (E_RNA) where: Base-Base interactions energy: -16.707 where: short stacking energy: -16.044 Base-Backbone interact. energy: -0.061 local terms energy: -28.733075 where: bonds (distance) C4'-P energy: -6.593 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -6.815 flat angles P-C4'-P energy: -5.436 tors. eta vs tors. theta energy: -2.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -51.508339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.508339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.508339 (E_RNA) where: Base-Base interactions energy: -19.512 where: short stacking energy: -19.512 Base-Backbone interact. energy: -0.005 local terms energy: -31.992137 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -7.392 flat angles P-C4'-P energy: -5.218 tors. eta vs tors. theta energy: -5.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -42.756287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.756287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.756287 (E_RNA) where: Base-Base interactions energy: -18.577 where: short stacking energy: -18.577 Base-Backbone interact. energy: -0.035 local terms energy: -24.143578 where: bonds (distance) C4'-P energy: -4.044 bonds (distance) P-C4' energy: -5.903 flat angles C4'-P-C4' energy: -6.858 flat angles P-C4'-P energy: -5.098 tors. eta vs tors. theta energy: -2.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -39.291623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.291623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.291623 (E_RNA) where: Base-Base interactions energy: -11.913 where: short stacking energy: -11.913 Base-Backbone interact. energy: -0.058 local terms energy: -27.321275 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -5.969 flat angles P-C4'-P energy: -2.947 tors. eta vs tors. theta energy: -2.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -74.624884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.624884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.624884 (E_RNA) where: Base-Base interactions energy: -46.959 where: short stacking energy: -25.028 Base-Backbone interact. energy: -0.437 local terms energy: -27.228596 where: bonds (distance) C4'-P energy: -5.853 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -5.487 flat angles P-C4'-P energy: -4.025 tors. eta vs tors. theta energy: -3.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -70.054264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.054264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.054264 (E_RNA) where: Base-Base interactions energy: -37.437 where: short stacking energy: -19.499 Base-Backbone interact. energy: -0.033 local terms energy: -32.584592 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -3.659 flat angles P-C4'-P energy: -5.360 tors. eta vs tors. theta energy: -6.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -69.436017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.436017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.436017 (E_RNA) where: Base-Base interactions energy: -37.074 where: short stacking energy: -37.074 Base-Backbone interact. energy: -0.000 local terms energy: -32.361929 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -8.781 flat angles C4'-P-C4' energy: -7.232 flat angles P-C4'-P energy: -0.313 tors. eta vs tors. theta energy: -9.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -57.091913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.091913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.091913 (E_RNA) where: Base-Base interactions energy: -20.126 where: short stacking energy: -20.126 Base-Backbone interact. energy: -0.087 local terms energy: -36.878886 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -7.423 flat angles P-C4'-P energy: -4.337 tors. eta vs tors. theta energy: -7.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -62.711577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.711577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.711577 (E_RNA) where: Base-Base interactions energy: -25.658 where: short stacking energy: -25.658 Base-Backbone interact. energy: -0.102 local terms energy: -36.952024 where: bonds (distance) C4'-P energy: -6.334 bonds (distance) P-C4' energy: -8.837 flat angles C4'-P-C4' energy: -8.092 flat angles P-C4'-P energy: -6.048 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: 6, replica: 2 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -48.904721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.904721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.904721 (E_RNA) where: Base-Base interactions energy: -18.544 where: short stacking energy: -18.544 Base-Backbone interact. energy: -0.081 local terms energy: -30.279902 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -7.198 flat angles P-C4'-P energy: -3.917 tors. eta vs tors. theta energy: -4.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -45.694454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.694454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.694454 (E_RNA) where: Base-Base interactions energy: -17.592 where: short stacking energy: -15.387 Base-Backbone interact. energy: -0.124 local terms energy: -27.978822 where: bonds (distance) C4'-P energy: -5.961 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -7.034 flat angles P-C4'-P energy: -6.877 tors. eta vs tors. theta energy: 0.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -46.496294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.496294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.496294 (E_RNA) where: Base-Base interactions energy: -17.017 where: short stacking energy: -15.283 Base-Backbone interact. energy: -0.002 local terms energy: -29.477192 where: bonds (distance) C4'-P energy: -5.770 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.394 flat angles P-C4'-P energy: -3.545 tors. eta vs tors. theta energy: -3.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -43.720408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.720408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.720408 (E_RNA) where: Base-Base interactions energy: -11.139 where: short stacking energy: -11.139 Base-Backbone interact. energy: -0.044 local terms energy: -32.537714 where: bonds (distance) C4'-P energy: -6.193 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -9.379 flat angles P-C4'-P energy: -3.782 tors. eta vs tors. theta energy: -4.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -45.114004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.114004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.114004 (E_RNA) where: Base-Base interactions energy: -15.260 where: short stacking energy: -15.260 Base-Backbone interact. energy: -0.030 local terms energy: -29.823976 where: bonds (distance) C4'-P energy: -5.538 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.319 flat angles P-C4'-P energy: -3.364 tors. eta vs tors. theta energy: -3.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -65.971204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.971204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.971204 (E_RNA) where: Base-Base interactions energy: -28.694 where: short stacking energy: -28.694 Base-Backbone interact. energy: -0.000 local terms energy: -37.277450 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -8.724 flat angles P-C4'-P energy: -3.003 tors. eta vs tors. theta energy: -9.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -56.167035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.167035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.167035 (E_RNA) where: Base-Base interactions energy: -20.535 where: short stacking energy: -20.535 Base-Backbone interact. energy: -0.034 local terms energy: -35.598039 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.434 flat angles P-C4'-P energy: -4.617 tors. eta vs tors. theta energy: -7.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -57.965533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.965533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.965533 (E_RNA) where: Base-Base interactions energy: -23.902 where: short stacking energy: -23.663 Base-Backbone interact. energy: -0.000 local terms energy: -34.063157 where: bonds (distance) C4'-P energy: -4.126 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -7.461 flat angles P-C4'-P energy: -5.866 tors. eta vs tors. theta energy: -9.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -59.816657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.816657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.816657 (E_RNA) where: Base-Base interactions energy: -29.581 where: short stacking energy: -19.752 Base-Backbone interact. energy: -0.072 local terms energy: -30.163341 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.270 flat angles C4'-P-C4' energy: -6.737 flat angles P-C4'-P energy: -5.382 tors. eta vs tors. theta energy: -3.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -54.040643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.040643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.040643 (E_RNA) where: Base-Base interactions energy: -15.452 where: short stacking energy: -15.884 Base-Backbone interact. energy: -0.190 local terms energy: -38.398582 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -8.701 flat angles P-C4'-P energy: -6.479 tors. eta vs tors. theta energy: -6.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -57.597451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.597451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.597451 (E_RNA) where: Base-Base interactions energy: -31.393 where: short stacking energy: -21.116 Base-Backbone interact. energy: -0.100 local terms energy: -26.103856 where: bonds (distance) C4'-P energy: -5.716 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -3.440 flat angles P-C4'-P energy: -6.189 tors. eta vs tors. theta energy: -2.802 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: 8 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -46.001405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.001405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.001405 (E_RNA) where: Base-Base interactions energy: -19.451 where: short stacking energy: -19.451 Base-Backbone interact. energy: -0.009 local terms energy: -26.541738 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -3.230 flat angles C4'-P-C4' energy: -8.427 flat angles P-C4'-P energy: -4.085 tors. eta vs tors. theta energy: -3.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -44.935487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.935487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.935487 (E_RNA) where: Base-Base interactions energy: -15.676 where: short stacking energy: -14.032 Base-Backbone interact. energy: -0.005 local terms energy: -29.254823 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -7.223 flat angles C4'-P-C4' energy: -6.719 flat angles P-C4'-P energy: -3.836 tors. eta vs tors. theta energy: -3.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -43.534896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.534896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.534896 (E_RNA) where: Base-Base interactions energy: -16.790 where: short stacking energy: -15.409 Base-Backbone interact. energy: -0.026 local terms energy: -26.718470 where: bonds (distance) C4'-P energy: -8.420 bonds (distance) P-C4' energy: -6.610 flat angles C4'-P-C4' energy: -7.018 flat angles P-C4'-P energy: -1.527 tors. eta vs tors. theta energy: -3.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -41.665790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.665790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.665790 (E_RNA) where: Base-Base interactions energy: -20.172 where: short stacking energy: -20.172 Base-Backbone interact. energy: -0.084 local terms energy: -21.409727 where: bonds (distance) C4'-P energy: -5.741 bonds (distance) P-C4' energy: -6.656 flat angles C4'-P-C4' energy: -5.788 flat angles P-C4'-P energy: -0.836 tors. eta vs tors. theta energy: -2.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -68.793646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.793646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.793646 (E_RNA) where: Base-Base interactions energy: -30.149 where: short stacking energy: -30.149 Base-Backbone interact. energy: -0.053 local terms energy: -38.591101 where: bonds (distance) C4'-P energy: -6.728 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -9.022 flat angles P-C4'-P energy: -7.049 tors. eta vs tors. theta energy: -7.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -64.074443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.074443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.074443 (E_RNA) where: Base-Base interactions energy: -28.925 where: short stacking energy: -28.925 Base-Backbone interact. energy: -0.000 local terms energy: -35.149357 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.193 flat angles P-C4'-P energy: -4.671 tors. eta vs tors. theta energy: -5.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -59.021274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.021274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.021274 (E_RNA) where: Base-Base interactions energy: -26.811 where: short stacking energy: -21.908 Base-Backbone interact. energy: -0.028 local terms energy: -32.181882 where: bonds (distance) C4'-P energy: -8.396 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -6.809 flat angles P-C4'-P energy: -3.008 tors. eta vs tors. theta energy: -5.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -55.146037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.146037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.146037 (E_RNA) where: Base-Base interactions energy: -26.426 where: short stacking energy: -20.907 Base-Backbone interact. energy: -0.018 local terms energy: -28.702086 where: bonds (distance) C4'-P energy: -7.038 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -6.940 flat angles P-C4'-P energy: -2.061 tors. eta vs tors. theta energy: -3.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -54.012288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.012288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.012288 (E_RNA) where: Base-Base interactions energy: -22.529 where: short stacking energy: -22.529 Base-Backbone interact. energy: -0.040 local terms energy: -31.442933 where: bonds (distance) C4'-P energy: -6.938 bonds (distance) P-C4' energy: -7.889 flat angles C4'-P-C4' energy: -5.734 flat angles P-C4'-P energy: -5.399 tors. eta vs tors. theta energy: -5.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -50.801920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.801920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.801920 (E_RNA) where: Base-Base interactions energy: -20.693 where: short stacking energy: -20.693 Base-Backbone interact. energy: -0.002 local terms energy: -30.106554 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.850 flat angles P-C4'-P energy: -4.177 tors. eta vs tors. theta energy: -2.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -48.239394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.239394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.239394 (E_RNA) where: Base-Base interactions energy: -19.266 where: short stacking energy: -11.287 Base-Backbone interact. energy: -0.118 local terms energy: -28.855551 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -8.397 flat angles P-C4'-P energy: -5.631 tors. eta vs tors. theta energy: -1.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -45.837652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.837652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.837652 (E_RNA) where: Base-Base interactions energy: -20.428 where: short stacking energy: -19.293 Base-Backbone interact. energy: -0.007 local terms energy: -25.402298 where: bonds (distance) C4'-P energy: -6.583 bonds (distance) P-C4' energy: -5.061 flat angles C4'-P-C4' energy: -7.040 flat angles P-C4'-P energy: -2.024 tors. eta vs tors. theta energy: -4.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -46.235078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.235078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.235078 (E_RNA) where: Base-Base interactions energy: -15.605 where: short stacking energy: -15.605 Base-Backbone interact. energy: -0.010 local terms energy: -30.619948 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -6.971 flat angles C4'-P-C4' energy: -6.620 flat angles P-C4'-P energy: -5.301 tors. eta vs tors. theta energy: -4.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -41.559996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.559996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.559996 (E_RNA) where: Base-Base interactions energy: -25.196 where: short stacking energy: -11.766 Base-Backbone interact. energy: -0.002 local terms energy: -16.361592 where: bonds (distance) C4'-P energy: -5.112 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -5.144 flat angles P-C4'-P energy: -0.538 tors. eta vs tors. theta energy: 0.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -73.868955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.868955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.868955 (E_RNA) where: Base-Base interactions energy: -38.943 where: short stacking energy: -23.441 Base-Backbone interact. energy: -0.002 local terms energy: -34.924123 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -8.863 flat angles C4'-P-C4' energy: -7.895 flat angles P-C4'-P energy: -5.379 tors. eta vs tors. theta energy: -5.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -64.286015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.286015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.286015 (E_RNA) where: Base-Base interactions energy: -33.266 where: short stacking energy: -18.042 Base-Backbone interact. energy: -0.805 local terms energy: -30.215304 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -9.168 flat angles P-C4'-P energy: -2.595 tors. eta vs tors. theta energy: -2.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -50.143649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.143649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.143649 (E_RNA) where: Base-Base interactions energy: -19.504 where: short stacking energy: -19.504 Base-Backbone interact. energy: -0.001 local terms energy: -30.638593 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -7.030 flat angles C4'-P-C4' energy: -7.837 flat angles P-C4'-P energy: -6.498 tors. eta vs tors. theta energy: -1.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -69.267633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.267633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.267633 (E_RNA) where: Base-Base interactions energy: -32.960 where: short stacking energy: -22.090 Base-Backbone interact. energy: -0.050 local terms energy: -36.257226 where: bonds (distance) C4'-P energy: -7.908 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -7.964 flat angles P-C4'-P energy: -5.414 tors. eta vs tors. theta energy: -5.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -48.923330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.923330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.923330 (E_RNA) where: Base-Base interactions energy: -21.069 where: short stacking energy: -18.304 Base-Backbone interact. energy: -0.042 local terms energy: -27.812616 where: bonds (distance) C4'-P energy: -4.985 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -5.594 flat angles P-C4'-P energy: -5.671 tors. eta vs tors. theta energy: -3.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -52.324007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.324007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.324007 (E_RNA) where: Base-Base interactions energy: -21.621 where: short stacking energy: -17.069 Base-Backbone interact. energy: -0.058 local terms energy: -30.645724 where: bonds (distance) C4'-P energy: -6.351 bonds (distance) P-C4' energy: -8.355 flat angles C4'-P-C4' energy: -6.551 flat angles P-C4'-P energy: -3.686 tors. eta vs tors. theta energy: -5.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -46.520127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.520127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.520127 (E_RNA) where: Base-Base interactions energy: -15.411 where: short stacking energy: -15.411 Base-Backbone interact. energy: -0.036 local terms energy: -31.073130 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -6.823 flat angles P-C4'-P energy: -5.343 tors. eta vs tors. theta energy: -2.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -50.024998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.024998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.024998 (E_RNA) where: Base-Base interactions energy: -23.726 where: short stacking energy: -23.726 Base-Backbone interact. energy: -0.003 local terms energy: -26.295441 where: bonds (distance) C4'-P energy: -6.971 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -5.989 flat angles P-C4'-P energy: 0.401 tors. eta vs tors. theta energy: -5.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -41.277484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.277484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.277484 (E_RNA) where: Base-Base interactions energy: -13.308 where: short stacking energy: -13.308 Base-Backbone interact. energy: 1.265 local terms energy: -29.234744 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -7.143 flat angles C4'-P-C4' energy: -8.267 flat angles P-C4'-P energy: -4.353 tors. eta vs tors. theta energy: -1.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -41.395599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.395599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.395599 (E_RNA) where: Base-Base interactions energy: -14.912 where: short stacking energy: -14.912 Base-Backbone interact. energy: -0.001 local terms energy: -26.482640 where: bonds (distance) C4'-P energy: -9.161 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -3.200 flat angles P-C4'-P energy: -6.593 tors. eta vs tors. theta energy: 1.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -70.182350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.182350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.182350 (E_RNA) where: Base-Base interactions energy: -30.830 where: short stacking energy: -30.830 Base-Backbone interact. energy: -0.000 local terms energy: -39.352308 where: bonds (distance) C4'-P energy: -7.278 bonds (distance) P-C4' energy: -9.076 flat angles C4'-P-C4' energy: -8.571 flat angles P-C4'-P energy: -6.518 tors. eta vs tors. theta energy: -7.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -63.641598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.641598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.641598 (E_RNA) where: Base-Base interactions energy: -27.563 where: short stacking energy: -27.563 Base-Backbone interact. energy: -0.000 local terms energy: -36.078298 where: bonds (distance) C4'-P energy: -7.614 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -8.543 flat angles P-C4'-P energy: -4.858 tors. eta vs tors. theta energy: -7.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -58.664813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.664813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.664813 (E_RNA) where: Base-Base interactions energy: -22.118 where: short stacking energy: -22.118 Base-Backbone interact. energy: -0.004 local terms energy: -36.542813 where: bonds (distance) C4'-P energy: -7.038 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.174 flat angles P-C4'-P energy: -6.318 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: 4, replica: 1 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -52.408375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.408375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.408375 (E_RNA) where: Base-Base interactions energy: -23.036 where: short stacking energy: -18.990 Base-Backbone interact. energy: -0.776 local terms energy: -28.596299 where: bonds (distance) C4'-P energy: -4.268 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -8.508 flat angles P-C4'-P energy: -3.106 tors. eta vs tors. theta energy: -4.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -54.302628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.302628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.302628 (E_RNA) where: Base-Base interactions energy: -21.512 where: short stacking energy: -21.043 Base-Backbone interact. energy: -0.012 local terms energy: -32.778956 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -8.123 flat angles P-C4'-P energy: -4.943 tors. eta vs tors. theta energy: -3.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -50.223521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.223521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.223521 (E_RNA) where: Base-Base interactions energy: -19.545 where: short stacking energy: -19.545 Base-Backbone interact. energy: -0.000 local terms energy: -30.678143 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -4.389 flat angles C4'-P-C4' energy: -8.316 flat angles P-C4'-P energy: -4.603 tors. eta vs tors. theta energy: -5.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -40.366317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.366317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.366317 (E_RNA) where: Base-Base interactions energy: -17.131 where: short stacking energy: -14.646 Base-Backbone interact. energy: -0.097 local terms energy: -23.138349 where: bonds (distance) C4'-P energy: -6.256 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -7.692 flat angles P-C4'-P energy: -0.651 tors. eta vs tors. theta energy: -1.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -44.559347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.559347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.559347 (E_RNA) where: Base-Base interactions energy: -13.498 where: short stacking energy: -12.521 Base-Backbone interact. energy: -0.015 local terms energy: -31.045707 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -8.162 flat angles P-C4'-P energy: -3.151 tors. eta vs tors. theta energy: -6.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -42.131755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.131755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.131755 (E_RNA) where: Base-Base interactions energy: -12.541 where: short stacking energy: -12.541 Base-Backbone interact. energy: -0.088 local terms energy: -29.502537 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.461 flat angles P-C4'-P energy: -4.369 tors. eta vs tors. theta energy: -1.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -44.427190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.427190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.427190 (E_RNA) where: Base-Base interactions energy: -20.155 where: short stacking energy: -9.415 Base-Backbone interact. energy: -0.442 local terms energy: -23.830345 where: bonds (distance) C4'-P energy: -5.725 bonds (distance) P-C4' energy: -5.173 flat angles C4'-P-C4' energy: -7.496 flat angles P-C4'-P energy: -5.609 tors. eta vs tors. theta energy: 0.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -76.819479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.819479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.819479 (E_RNA) where: Base-Base interactions energy: -39.398 where: short stacking energy: -27.329 Base-Backbone interact. energy: -0.000 local terms energy: -37.421700 where: bonds (distance) C4'-P energy: -6.905 bonds (distance) P-C4' energy: -6.974 flat angles C4'-P-C4' energy: -7.018 flat angles P-C4'-P energy: -5.564 tors. eta vs tors. theta energy: -10.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -64.558290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.558290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.558290 (E_RNA) where: Base-Base interactions energy: -28.315 where: short stacking energy: -28.315 Base-Backbone interact. energy: -0.001 local terms energy: -36.242386 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -7.947 flat angles C4'-P-C4' energy: -7.071 flat angles P-C4'-P energy: -7.474 tors. eta vs tors. theta energy: -6.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -58.842626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.842626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.842626 (E_RNA) where: Base-Base interactions energy: -22.784 where: short stacking energy: -22.784 Base-Backbone interact. energy: -0.000 local terms energy: -36.058806 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.920 flat angles P-C4'-P energy: -3.946 tors. eta vs tors. theta energy: -7.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -61.582330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.582330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.582330 (E_RNA) where: Base-Base interactions energy: -22.757 where: short stacking energy: -22.757 Base-Backbone interact. energy: -0.012 local terms energy: -38.813012 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.151 flat angles P-C4'-P energy: -6.393 tors. eta vs tors. theta energy: -8.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -52.801103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.801103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.801103 (E_RNA) where: Base-Base interactions energy: -18.984 where: short stacking energy: -18.984 Base-Backbone interact. energy: -0.001 local terms energy: -33.816711 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -7.417 flat angles P-C4'-P energy: -6.147 tors. eta vs tors. theta energy: -4.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -44.745269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.745269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.745269 (E_RNA) where: Base-Base interactions energy: -20.461 where: short stacking energy: -16.855 Base-Backbone interact. energy: -0.093 local terms energy: -24.191442 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -4.955 flat angles P-C4'-P energy: -3.179 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: 7, replica: 2 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -56.302988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.302988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.302988 (E_RNA) where: Base-Base interactions energy: -28.193 where: short stacking energy: -17.886 Base-Backbone interact. energy: 0.963 local terms energy: -29.073111 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.006 flat angles P-C4'-P energy: -5.028 tors. eta vs tors. theta energy: -3.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -45.213956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.213956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.213956 (E_RNA) where: Base-Base interactions energy: -19.946 where: short stacking energy: -17.642 Base-Backbone interact. energy: -0.075 local terms energy: -25.192214 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -8.153 flat angles C4'-P-C4' energy: -2.747 flat angles P-C4'-P energy: -1.903 tors. eta vs tors. theta energy: -4.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -51.508934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.508934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.508934 (E_RNA) where: Base-Base interactions energy: -19.739 where: short stacking energy: -19.739 Base-Backbone interact. energy: -0.009 local terms energy: -31.760691 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -4.627 flat angles C4'-P-C4' energy: -7.438 flat angles P-C4'-P energy: -6.419 tors. eta vs tors. theta energy: -4.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -42.125967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.125967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.125967 (E_RNA) where: Base-Base interactions energy: -15.936 where: short stacking energy: -15.936 Base-Backbone interact. energy: -0.030 local terms energy: -26.159732 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -7.797 flat angles C4'-P-C4' energy: -5.952 flat angles P-C4'-P energy: -4.878 tors. eta vs tors. theta energy: 0.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -66.400164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.400164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.400164 (E_RNA) where: Base-Base interactions energy: -28.465 where: short stacking energy: -28.465 Base-Backbone interact. energy: -0.000 local terms energy: -37.934855 where: bonds (distance) C4'-P energy: -7.811 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -7.237 flat angles P-C4'-P energy: -5.197 tors. eta vs tors. theta energy: -9.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -62.334715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.334715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.334715 (E_RNA) where: Base-Base interactions energy: -26.130 where: short stacking energy: -26.130 Base-Backbone interact. energy: -0.001 local terms energy: -36.202928 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -7.510 flat angles P-C4'-P energy: -6.318 tors. eta vs tors. theta energy: -5.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -61.699179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.699179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.699179 (E_RNA) where: Base-Base interactions energy: -25.535 where: short stacking energy: -15.889 Base-Backbone interact. energy: -0.073 local terms energy: -36.090848 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -8.263 flat angles P-C4'-P energy: -5.689 tors. eta vs tors. theta energy: -5.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -59.256875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.256875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.256875 (E_RNA) where: Base-Base interactions energy: -27.997 where: short stacking energy: -27.997 Base-Backbone interact. energy: -0.000 local terms energy: -31.259547 where: bonds (distance) C4'-P energy: -6.292 bonds (distance) P-C4' energy: -6.780 flat angles C4'-P-C4' energy: -6.583 flat angles P-C4'-P energy: -4.095 tors. eta vs tors. theta energy: -7.509 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: 7 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -62.096857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.096857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.096857 (E_RNA) where: Base-Base interactions energy: -28.648 where: short stacking energy: -28.648 Base-Backbone interact. energy: -0.001 local terms energy: -33.448090 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -8.627 flat angles P-C4'-P energy: -2.193 tors. eta vs tors. theta energy: -7.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -55.741554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.741554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.741554 (E_RNA) where: Base-Base interactions energy: -25.652 where: short stacking energy: -25.652 Base-Backbone interact. energy: -0.000 local terms energy: -30.089315 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -6.821 flat angles C4'-P-C4' energy: -8.138 flat angles P-C4'-P energy: 0.011 tors. eta vs tors. theta energy: -8.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -46.904992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.904992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.904992 (E_RNA) where: Base-Base interactions energy: -22.468 where: short stacking energy: -17.732 Base-Backbone interact. energy: -0.251 local terms energy: -24.186212 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -5.439 flat angles C4'-P-C4' energy: -8.377 flat angles P-C4'-P energy: -3.597 tors. eta vs tors. theta energy: -1.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -44.011285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.011285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.011285 (E_RNA) where: Base-Base interactions energy: -17.947 where: short stacking energy: -15.986 Base-Backbone interact. energy: -0.005 local terms energy: -26.058990 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -3.654 flat angles P-C4'-P energy: -5.915 tors. eta vs tors. theta energy: -3.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -45.471974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.471974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.471974 (E_RNA) where: Base-Base interactions energy: -15.373 where: short stacking energy: -15.373 Base-Backbone interact. energy: -0.003 local terms energy: -30.096125 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -8.667 flat angles P-C4'-P energy: -5.105 tors. eta vs tors. theta energy: -1.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -41.621622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.621622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.621622 (E_RNA) where: Base-Base interactions energy: -12.905 where: short stacking energy: -5.727 Base-Backbone interact. energy: -0.760 local terms energy: -27.955975 where: bonds (distance) C4'-P energy: -4.429 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -7.456 flat angles P-C4'-P energy: -6.414 tors. eta vs tors. theta energy: -1.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -74.951850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.951850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.951850 (E_RNA) where: Base-Base interactions energy: -34.673 where: short stacking energy: -34.673 Base-Backbone interact. energy: -0.000 local terms energy: -40.278735 where: bonds (distance) C4'-P energy: -7.606 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -8.036 flat angles P-C4'-P energy: -3.918 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: 2, replica: 9 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -64.647958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.647958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.647958 (E_RNA) where: Base-Base interactions energy: -31.440 where: short stacking energy: -31.440 Base-Backbone interact. energy: -0.002 local terms energy: -33.206385 where: bonds (distance) C4'-P energy: -4.277 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -7.618 flat angles P-C4'-P energy: -3.109 tors. eta vs tors. theta energy: -10.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -53.359210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.359210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.359210 (E_RNA) where: Base-Base interactions energy: -17.842 where: short stacking energy: -17.842 Base-Backbone interact. energy: -0.097 local terms energy: -35.419626 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.531 flat angles P-C4'-P energy: -4.901 tors. eta vs tors. theta energy: -4.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -58.496744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.496744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.496744 (E_RNA) where: Base-Base interactions energy: -25.679 where: short stacking energy: -23.279 Base-Backbone interact. energy: -0.000 local terms energy: -32.818059 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -7.077 flat angles C4'-P-C4' energy: -7.365 flat angles P-C4'-P energy: -4.863 tors. eta vs tors. theta energy: -6.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -51.942963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.942963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.942963 (E_RNA) where: Base-Base interactions energy: -17.490 where: short stacking energy: -17.058 Base-Backbone interact. energy: -0.003 local terms energy: -34.450221 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -7.539 flat angles P-C4'-P energy: -6.284 tors. eta vs tors. theta energy: -4.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -51.547774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.547774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.547774 (E_RNA) where: Base-Base interactions energy: -20.787 where: short stacking energy: -20.787 Base-Backbone interact. energy: -0.040 local terms energy: -30.719884 where: bonds (distance) C4'-P energy: -7.239 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -3.549 flat angles P-C4'-P energy: -6.962 tors. eta vs tors. theta energy: -4.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -52.198592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.198592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.198592 (E_RNA) where: Base-Base interactions energy: -26.359 where: short stacking energy: -21.387 Base-Backbone interact. energy: -0.014 local terms energy: -25.825520 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -5.896 flat angles C4'-P-C4' energy: -6.217 flat angles P-C4'-P energy: -3.110 tors. eta vs tors. theta energy: -2.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -42.827413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.827413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.827413 (E_RNA) where: Base-Base interactions energy: -17.157 where: short stacking energy: -16.857 Base-Backbone interact. energy: -0.008 local terms energy: -25.662330 where: bonds (distance) C4'-P energy: -6.271 bonds (distance) P-C4' energy: -8.203 flat angles C4'-P-C4' energy: -3.530 flat angles P-C4'-P energy: -4.367 tors. eta vs tors. theta energy: -3.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -42.195869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.195869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.195869 (E_RNA) where: Base-Base interactions energy: -17.052 where: short stacking energy: -13.049 Base-Backbone interact. energy: -0.001 local terms energy: -25.143039 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -5.782 flat angles P-C4'-P energy: -5.185 tors. eta vs tors. theta energy: -1.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -48.389749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.389749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.389749 (E_RNA) where: Base-Base interactions energy: -19.602 where: short stacking energy: -19.602 Base-Backbone interact. energy: -0.155 local terms energy: -28.632320 where: bonds (distance) C4'-P energy: -5.584 bonds (distance) P-C4' energy: -8.908 flat angles C4'-P-C4' energy: -4.867 flat angles P-C4'-P energy: -3.705 tors. eta vs tors. theta energy: -5.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -62.171913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.171913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.171913 (E_RNA) where: Base-Base interactions energy: -24.262 where: short stacking energy: -24.262 Base-Backbone interact. energy: -0.000 local terms energy: -37.909973 where: bonds (distance) C4'-P energy: -6.156 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -8.333 flat angles P-C4'-P energy: -6.159 tors. eta vs tors. theta energy: -9.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -67.531965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.531965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.531965 (E_RNA) where: Base-Base interactions energy: -28.686 where: short stacking energy: -27.878 Base-Backbone interact. energy: -0.001 local terms energy: -38.844585 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -8.913 flat angles P-C4'-P energy: -6.029 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: 3, replica: 9 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -58.623655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.623655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.623655 (E_RNA) where: Base-Base interactions energy: -25.921 where: short stacking energy: -25.921 Base-Backbone interact. energy: -0.012 local terms energy: -32.690815 where: bonds (distance) C4'-P energy: -6.433 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -5.595 flat angles P-C4'-P energy: -5.452 tors. eta vs tors. theta energy: -7.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -55.118454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.118454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.118454 (E_RNA) where: Base-Base interactions energy: -27.733 where: short stacking energy: -12.535 Base-Backbone interact. energy: -0.027 local terms energy: -27.358480 where: bonds (distance) C4'-P energy: -7.046 bonds (distance) P-C4' energy: -7.815 flat angles C4'-P-C4' energy: -5.660 flat angles P-C4'-P energy: -5.480 tors. eta vs tors. theta energy: -1.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -57.743793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.743793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.743793 (E_RNA) where: Base-Base interactions energy: -23.621 where: short stacking energy: -23.621 Base-Backbone interact. energy: -0.006 local terms energy: -34.116921 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -9.063 flat angles P-C4'-P energy: -4.682 tors. eta vs tors. theta energy: -5.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -52.816834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.816834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.816834 (E_RNA) where: Base-Base interactions energy: -22.611 where: short stacking energy: -22.611 Base-Backbone interact. energy: -0.006 local terms energy: -30.200410 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -4.115 flat angles P-C4'-P energy: -6.213 tors. eta vs tors. theta energy: -5.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -49.131378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.131378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.131378 (E_RNA) where: Base-Base interactions energy: -15.594 where: short stacking energy: -14.051 Base-Backbone interact. energy: -0.021 local terms energy: -33.515590 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.702 flat angles P-C4'-P energy: -5.906 tors. eta vs tors. theta energy: -1.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -46.116249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.116249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.116249 (E_RNA) where: Base-Base interactions energy: -15.804 where: short stacking energy: -15.804 Base-Backbone interact. energy: -0.007 local terms energy: -30.305579 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -8.301 flat angles P-C4'-P energy: -3.406 tors. eta vs tors. theta energy: -2.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -49.016570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.016570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.016570 (E_RNA) where: Base-Base interactions energy: -16.638 where: short stacking energy: -16.638 Base-Backbone interact. energy: -0.000 local terms energy: -32.378545 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -7.653 flat angles C4'-P-C4' energy: -8.556 flat angles P-C4'-P energy: -3.516 tors. eta vs tors. theta energy: -4.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -40.122398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.122398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.122398 (E_RNA) where: Base-Base interactions energy: -13.681 where: short stacking energy: -10.599 Base-Backbone interact. energy: -0.602 local terms energy: -25.838903 where: bonds (distance) C4'-P energy: -7.041 bonds (distance) P-C4' energy: -5.756 flat angles C4'-P-C4' energy: -6.415 flat angles P-C4'-P energy: -5.493 tors. eta vs tors. theta energy: -1.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -67.066599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.066599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.066599 (E_RNA) where: Base-Base interactions energy: -32.092 where: short stacking energy: -32.092 Base-Backbone interact. energy: -0.009 local terms energy: -34.965689 where: bonds (distance) C4'-P energy: -6.437 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -8.417 flat angles P-C4'-P energy: -5.355 tors. eta vs tors. theta energy: -6.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -75.934220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.934220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.934220 (E_RNA) where: Base-Base interactions energy: -40.898 where: short stacking energy: -27.098 Base-Backbone interact. energy: -0.009 local terms energy: -35.027751 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -6.216 flat angles P-C4'-P energy: -5.566 tors. eta vs tors. theta energy: -8.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -67.247890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.247890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.247890 (E_RNA) where: Base-Base interactions energy: -30.693 where: short stacking energy: -17.116 Base-Backbone interact. energy: -0.081 local terms energy: -36.474495 where: bonds (distance) C4'-P energy: -5.847 bonds (distance) P-C4' energy: -9.563 flat angles C4'-P-C4' energy: -6.921 flat angles P-C4'-P energy: -6.686 tors. eta vs tors. theta energy: -7.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -60.612338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.612338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.612338 (E_RNA) where: Base-Base interactions energy: -25.279 where: short stacking energy: -25.279 Base-Backbone interact. energy: -0.001 local terms energy: -35.332364 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -8.510 flat angles C4'-P-C4' energy: -6.541 flat angles P-C4'-P energy: -7.442 tors. eta vs tors. theta energy: -4.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -43.190160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.190160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.190160 (E_RNA) where: Base-Base interactions energy: -14.808 where: short stacking energy: -14.808 Base-Backbone interact. energy: -0.063 local terms energy: -28.318557 where: bonds (distance) C4'-P energy: -6.914 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.036 flat angles P-C4'-P energy: -2.618 tors. eta vs tors. theta energy: -3.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -51.100317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.100317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.100317 (E_RNA) where: Base-Base interactions energy: -23.966 where: short stacking energy: -23.966 Base-Backbone interact. energy: -0.000 local terms energy: -27.134355 where: bonds (distance) C4'-P energy: -5.555 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -5.353 flat angles P-C4'-P energy: -3.422 tors. eta vs tors. theta energy: -4.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -48.767202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.767202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.767202 (E_RNA) where: Base-Base interactions energy: -17.293 where: short stacking energy: -17.293 Base-Backbone interact. energy: -0.002 local terms energy: -31.471547 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -6.558 flat angles P-C4'-P energy: -4.947 tors. eta vs tors. theta energy: -4.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -40.055889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.055889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.055889 (E_RNA) where: Base-Base interactions energy: -14.695 where: short stacking energy: -14.695 Base-Backbone interact. energy: -0.228 local terms energy: -25.132956 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.259 flat angles P-C4'-P energy: -3.361 tors. eta vs tors. theta energy: -0.354 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: 3 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -40.195718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.195718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.195718 (E_RNA) where: Base-Base interactions energy: -14.442 where: short stacking energy: -7.384 Base-Backbone interact. energy: -0.047 local terms energy: -25.707252 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.038 flat angles P-C4'-P energy: -1.223 tors. eta vs tors. theta energy: -1.875 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: 8 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -47.413897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.413897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.413897 (E_RNA) where: Base-Base interactions energy: -13.425 where: short stacking energy: -12.792 Base-Backbone interact. energy: -0.013 local terms energy: -33.976568 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -7.463 flat angles P-C4'-P energy: -6.024 tors. eta vs tors. theta energy: -3.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -70.287595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.287595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.287595 (E_RNA) where: Base-Base interactions energy: -30.252 where: short stacking energy: -30.252 Base-Backbone interact. energy: -0.000 local terms energy: -40.035437 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.542 flat angles P-C4'-P energy: -7.821 tors. eta vs tors. theta energy: -9.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -77.657377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.657377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.657377 (E_RNA) where: Base-Base interactions energy: -39.159 where: short stacking energy: -25.790 Base-Backbone interact. energy: -0.021 local terms energy: -38.477666 where: bonds (distance) C4'-P energy: -8.200 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -7.639 flat angles P-C4'-P energy: -5.223 tors. eta vs tors. theta energy: -8.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -57.748144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.748144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.748144 (E_RNA) where: Base-Base interactions energy: -23.237 where: short stacking energy: -23.237 Base-Backbone interact. energy: -0.001 local terms energy: -34.510520 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.112 flat angles C4'-P-C4' energy: -6.549 flat angles P-C4'-P energy: -5.956 tors. eta vs tors. theta energy: -5.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -52.656766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.656766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.656766 (E_RNA) where: Base-Base interactions energy: -20.249 where: short stacking energy: -20.249 Base-Backbone interact. energy: -0.004 local terms energy: -32.404183 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -8.914 flat angles P-C4'-P energy: -6.798 tors. eta vs tors. theta energy: -3.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -59.745343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.745343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.745343 (E_RNA) where: Base-Base interactions energy: -28.126 where: short stacking energy: -28.126 Base-Backbone interact. energy: -0.003 local terms energy: -31.616140 where: bonds (distance) C4'-P energy: -2.223 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -8.156 flat angles P-C4'-P energy: -5.517 tors. eta vs tors. theta energy: -8.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -45.988581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.988581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.988581 (E_RNA) where: Base-Base interactions energy: -18.233 where: short stacking energy: -16.531 Base-Backbone interact. energy: -0.012 local terms energy: -27.743558 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -8.531 flat angles P-C4'-P energy: -2.855 tors. eta vs tors. theta energy: -1.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -50.539806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.539806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.539806 (E_RNA) where: Base-Base interactions energy: -22.049 where: short stacking energy: -21.608 Base-Backbone interact. energy: -0.033 local terms energy: -28.457133 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -5.088 flat angles P-C4'-P energy: -2.769 tors. eta vs tors. theta energy: -3.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -44.820128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.820128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.820128 (E_RNA) where: Base-Base interactions energy: -17.548 where: short stacking energy: -17.548 Base-Backbone interact. energy: -0.006 local terms energy: -27.266865 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -4.480 flat angles C4'-P-C4' energy: -5.818 flat angles P-C4'-P energy: -3.466 tors. eta vs tors. theta energy: -5.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -40.474710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.474710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.474710 (E_RNA) where: Base-Base interactions energy: -13.726 where: short stacking energy: -10.925 Base-Backbone interact. energy: -0.107 local terms energy: -26.641869 where: bonds (distance) C4'-P energy: -5.912 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -5.317 flat angles P-C4'-P energy: -4.724 tors. eta vs tors. theta energy: -2.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -42.335760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.335760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.335760 (E_RNA) where: Base-Base interactions energy: -17.398 where: short stacking energy: -15.855 Base-Backbone interact. energy: -0.265 local terms energy: -24.671931 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -2.128 flat angles P-C4'-P energy: -5.797 tors. eta vs tors. theta energy: -0.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -74.049783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.049783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.049783 (E_RNA) where: Base-Base interactions energy: -39.409 where: short stacking energy: -25.971 Base-Backbone interact. energy: -0.003 local terms energy: -34.637622 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -8.455 flat angles P-C4'-P energy: -5.709 tors. eta vs tors. theta energy: -3.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -63.897176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.897176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.897176 (E_RNA) where: Base-Base interactions energy: -30.257 where: short stacking energy: -26.498 Base-Backbone interact. energy: -0.043 local terms energy: -33.597361 where: bonds (distance) C4'-P energy: -7.206 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -7.312 flat angles P-C4'-P energy: -5.498 tors. eta vs tors. theta energy: -5.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -59.827293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.827293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.827293 (E_RNA) where: Base-Base interactions energy: -25.410 where: short stacking energy: -21.001 Base-Backbone interact. energy: -0.001 local terms energy: -34.416529 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.555 flat angles P-C4'-P energy: -4.638 tors. eta vs tors. theta energy: -4.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -57.889597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.889597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.889597 (E_RNA) where: Base-Base interactions energy: -27.893 where: short stacking energy: -16.957 Base-Backbone interact. energy: -0.192 local terms energy: -29.805526 where: bonds (distance) C4'-P energy: -5.593 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -4.129 flat angles P-C4'-P energy: -6.132 tors. eta vs tors. theta energy: -4.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -71.060407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.060407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.060407 (E_RNA) where: Base-Base interactions energy: -42.238 where: short stacking energy: -23.133 Base-Backbone interact. energy: -0.489 local terms energy: -28.333897 where: bonds (distance) C4'-P energy: -7.522 bonds (distance) P-C4' energy: -7.889 flat angles C4'-P-C4' energy: -5.388 flat angles P-C4'-P energy: -3.558 tors. eta vs tors. theta energy: -3.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -46.163712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.163712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.163712 (E_RNA) where: Base-Base interactions energy: -20.616 where: short stacking energy: -20.616 Base-Backbone interact. energy: -0.129 local terms energy: -25.419277 where: bonds (distance) C4'-P energy: -5.709 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -8.397 flat angles P-C4'-P energy: -1.599 tors. eta vs tors. theta energy: -2.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -51.191374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.191374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.191374 (E_RNA) where: Base-Base interactions energy: -20.447 where: short stacking energy: -20.447 Base-Backbone interact. energy: -0.000 local terms energy: -30.744418 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -6.259 flat angles P-C4'-P energy: -5.932 tors. eta vs tors. theta energy: -2.987 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: 5 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -47.429331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.429331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.429331 (E_RNA) where: Base-Base interactions energy: -17.147 where: short stacking energy: -17.147 Base-Backbone interact. energy: -0.000 local terms energy: -30.282050 where: bonds (distance) C4'-P energy: -7.253 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -3.382 flat angles P-C4'-P energy: -7.179 tors. eta vs tors. theta energy: -3.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -49.288456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.288456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.288456 (E_RNA) where: Base-Base interactions energy: -14.871 where: short stacking energy: -13.179 Base-Backbone interact. energy: -0.935 local terms energy: -33.481873 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -8.224 flat angles P-C4'-P energy: -5.639 tors. eta vs tors. theta energy: -3.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -37.935968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.935968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.935968 (E_RNA) where: Base-Base interactions energy: -13.197 where: short stacking energy: -12.057 Base-Backbone interact. energy: -0.001 local terms energy: -24.738164 where: bonds (distance) C4'-P energy: -8.291 bonds (distance) P-C4' energy: -6.857 flat angles C4'-P-C4' energy: -3.514 flat angles P-C4'-P energy: -4.452 tors. eta vs tors. theta energy: -1.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -72.420218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.420218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.420218 (E_RNA) where: Base-Base interactions energy: -38.685 where: short stacking energy: -27.905 Base-Backbone interact. energy: -0.009 local terms energy: -33.727041 where: bonds (distance) C4'-P energy: -6.640 bonds (distance) P-C4' energy: -8.563 flat angles C4'-P-C4' energy: -9.236 flat angles P-C4'-P energy: -3.690 tors. eta vs tors. theta energy: -5.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -68.363092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.363092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.363092 (E_RNA) where: Base-Base interactions energy: -32.659 where: short stacking energy: -27.990 Base-Backbone interact. energy: -0.001 local terms energy: -35.703024 where: bonds (distance) C4'-P energy: -5.274 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.155 flat angles P-C4'-P energy: -6.213 tors. eta vs tors. theta energy: -8.483 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: 10 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -73.469124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.469124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.469124 (E_RNA) where: Base-Base interactions energy: -39.681 where: short stacking energy: -25.531 Base-Backbone interact. energy: -0.000 local terms energy: -33.788046 where: bonds (distance) C4'-P energy: -8.217 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -8.450 flat angles P-C4'-P energy: -3.675 tors. eta vs tors. theta energy: -8.078 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: 4 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -66.716944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.716944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.716944 (E_RNA) where: Base-Base interactions energy: -32.146 where: short stacking energy: -23.536 Base-Backbone interact. energy: 1.084 local terms energy: -35.655017 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -8.534 flat angles P-C4'-P energy: -5.873 tors. eta vs tors. theta energy: -3.557 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: 5, replica: 2 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -55.752230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.752230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.752230 (E_RNA) where: Base-Base interactions energy: -29.990 where: short stacking energy: -29.990 Base-Backbone interact. energy: -0.007 local terms energy: -25.754861 where: bonds (distance) C4'-P energy: -5.713 bonds (distance) P-C4' energy: -3.315 flat angles C4'-P-C4' energy: -7.035 flat angles P-C4'-P energy: -4.900 tors. eta vs tors. theta energy: -4.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -46.984748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.984748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.984748 (E_RNA) where: Base-Base interactions energy: -16.266 where: short stacking energy: -16.266 Base-Backbone interact. energy: -0.013 local terms energy: -30.705386 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -5.458 flat angles P-C4'-P energy: -5.492 tors. eta vs tors. theta energy: -2.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -45.453418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.453418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.453418 (E_RNA) where: Base-Base interactions energy: -22.445 where: short stacking energy: -14.315 Base-Backbone interact. energy: -0.050 local terms energy: -22.959142 where: bonds (distance) C4'-P energy: -3.507 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -1.360 flat angles P-C4'-P energy: -6.120 tors. eta vs tors. theta energy: -3.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -48.106957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.106957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.106957 (E_RNA) where: Base-Base interactions energy: -18.134 where: short stacking energy: -18.058 Base-Backbone interact. energy: -0.000 local terms energy: -29.972229 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -6.744 flat angles P-C4'-P energy: -5.116 tors. eta vs tors. theta energy: -3.263 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: 5 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -46.020377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.020377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.020377 (E_RNA) where: Base-Base interactions energy: -18.534 where: short stacking energy: -18.534 Base-Backbone interact. energy: -0.192 local terms energy: -27.295098 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -3.685 flat angles C4'-P-C4' energy: -7.029 flat angles P-C4'-P energy: -5.152 tors. eta vs tors. theta energy: -5.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -44.617978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.617978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.617978 (E_RNA) where: Base-Base interactions energy: -16.036 where: short stacking energy: -16.036 Base-Backbone interact. energy: -0.000 local terms energy: -28.581362 where: bonds (distance) C4'-P energy: -6.461 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -5.994 flat angles P-C4'-P energy: -5.723 tors. eta vs tors. theta energy: -1.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -72.902058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.902058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.902058 (E_RNA) where: Base-Base interactions energy: -35.714 where: short stacking energy: -30.812 Base-Backbone interact. energy: -0.000 local terms energy: -37.188237 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.937 flat angles P-C4'-P energy: -4.293 tors. eta vs tors. theta energy: -9.281 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: 1 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -69.437110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.437110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.437110 (E_RNA) where: Base-Base interactions energy: -32.931 where: short stacking energy: -25.452 Base-Backbone interact. energy: -0.010 local terms energy: -36.496940 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -8.709 flat angles P-C4'-P energy: -5.491 tors. eta vs tors. theta energy: -5.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -79.656009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.656009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.656009 (E_RNA) where: Base-Base interactions energy: -45.357 where: short stacking energy: -24.787 Base-Backbone interact. energy: -0.003 local terms energy: -34.296896 where: bonds (distance) C4'-P energy: -8.217 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -7.293 flat angles P-C4'-P energy: -5.653 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: 4, replica: 4 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -72.557430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.557430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.557430 (E_RNA) where: Base-Base interactions energy: -39.084 where: short stacking energy: -24.513 Base-Backbone interact. energy: -0.000 local terms energy: -33.473064 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -6.969 flat angles P-C4'-P energy: -3.131 tors. eta vs tors. theta energy: -4.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -59.688898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.688898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.688898 (E_RNA) where: Base-Base interactions energy: -22.286 where: short stacking energy: -22.286 Base-Backbone interact. energy: -0.009 local terms energy: -37.393522 where: bonds (distance) C4'-P energy: -7.320 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -6.085 flat angles P-C4'-P energy: -7.028 tors. eta vs tors. theta energy: -8.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -47.534122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.534122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.534122 (E_RNA) where: Base-Base interactions energy: -17.404 where: short stacking energy: -16.985 Base-Backbone interact. energy: -0.049 local terms energy: -30.080847 where: bonds (distance) C4'-P energy: -5.377 bonds (distance) P-C4' energy: -7.270 flat angles C4'-P-C4' energy: -8.690 flat angles P-C4'-P energy: -5.683 tors. eta vs tors. theta energy: -3.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -47.480214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.480214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.480214 (E_RNA) where: Base-Base interactions energy: -13.856 where: short stacking energy: -13.856 Base-Backbone interact. energy: -0.002 local terms energy: -33.622421 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -5.993 flat angles P-C4'-P energy: -5.386 tors. eta vs tors. theta energy: -5.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -43.708247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.708247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.708247 (E_RNA) where: Base-Base interactions energy: -16.120 where: short stacking energy: -11.590 Base-Backbone interact. energy: -0.152 local terms energy: -27.436238 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -7.095 flat angles P-C4'-P energy: -3.375 tors. eta vs tors. theta energy: -0.816 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: 7 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -44.994786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.994786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.994786 (E_RNA) where: Base-Base interactions energy: -20.082 where: short stacking energy: -20.049 Base-Backbone interact. energy: 0.463 local terms energy: -25.375462 where: bonds (distance) C4'-P energy: -6.842 bonds (distance) P-C4' energy: -8.287 flat angles C4'-P-C4' energy: -6.212 flat angles P-C4'-P energy: -4.158 tors. eta vs tors. theta energy: 0.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -42.411238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.411238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.411238 (E_RNA) where: Base-Base interactions energy: -14.741 where: short stacking energy: -13.692 Base-Backbone interact. energy: -0.107 local terms energy: -27.563424 where: bonds (distance) C4'-P energy: -7.385 bonds (distance) P-C4' energy: -3.106 flat angles C4'-P-C4' energy: -8.937 flat angles P-C4'-P energy: -6.693 tors. eta vs tors. theta energy: -1.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -74.994190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.994190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.994190 (E_RNA) where: Base-Base interactions energy: -34.897 where: short stacking energy: -31.233 Base-Backbone interact. energy: -0.000 local terms energy: -40.097200 where: bonds (distance) C4'-P energy: -7.037 bonds (distance) P-C4' energy: -8.778 flat angles C4'-P-C4' energy: -8.954 flat angles P-C4'-P energy: -5.738 tors. eta vs tors. theta energy: -9.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -66.214729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.214729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.214729 (E_RNA) where: Base-Base interactions energy: -33.912 where: short stacking energy: -25.947 Base-Backbone interact. energy: -0.003 local terms energy: -32.299526 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.037 flat angles P-C4'-P energy: -3.407 tors. eta vs tors. theta energy: -5.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -62.770017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.770017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.770017 (E_RNA) where: Base-Base interactions energy: -26.620 where: short stacking energy: -26.620 Base-Backbone interact. energy: -0.000 local terms energy: -36.150120 where: bonds (distance) C4'-P energy: -5.076 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.215 flat angles P-C4'-P energy: -5.226 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: 4, replica: 4 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -70.598599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.598599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.598599 (E_RNA) where: Base-Base interactions energy: -29.601 where: short stacking energy: -29.601 Base-Backbone interact. energy: -0.000 local terms energy: -40.997512 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -9.571 flat angles C4'-P-C4' energy: -7.688 flat angles P-C4'-P energy: -7.084 tors. eta vs tors. theta energy: -9.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -52.400963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.400963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.400963 (E_RNA) where: Base-Base interactions energy: -22.534 where: short stacking energy: -22.534 Base-Backbone interact. energy: -0.000 local terms energy: -29.866423 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -4.602 flat angles P-C4'-P energy: -5.369 tors. eta vs tors. theta energy: -5.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -53.637010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.637010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.637010 (E_RNA) where: Base-Base interactions energy: -22.611 where: short stacking energy: -22.611 Base-Backbone interact. energy: -0.001 local terms energy: -31.025078 where: bonds (distance) C4'-P energy: -6.533 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.063 flat angles P-C4'-P energy: -6.905 tors. eta vs tors. theta energy: -2.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -53.029393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.029393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.029393 (E_RNA) where: Base-Base interactions energy: -24.995 where: short stacking energy: -15.252 Base-Backbone interact. energy: -0.215 local terms energy: -27.819281 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -6.844 flat angles C4'-P-C4' energy: -8.213 flat angles P-C4'-P energy: -4.504 tors. eta vs tors. theta energy: 0.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -41.687359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.687359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.687359 (E_RNA) where: Base-Base interactions energy: -17.272 where: short stacking energy: -8.111 Base-Backbone interact. energy: -0.029 local terms energy: -24.386907 where: bonds (distance) C4'-P energy: -6.934 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -5.282 flat angles P-C4'-P energy: -5.279 tors. eta vs tors. theta energy: 0.463 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: 9 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -40.561464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.561464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.561464 (E_RNA) where: Base-Base interactions energy: -13.744 where: short stacking energy: -13.861 Base-Backbone interact. energy: -0.053 local terms energy: -26.764773 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.998 flat angles C4'-P-C4' energy: -8.345 flat angles P-C4'-P energy: -2.883 tors. eta vs tors. theta energy: -2.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -45.647328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.647328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.647328 (E_RNA) where: Base-Base interactions energy: -18.352 where: short stacking energy: -16.120 Base-Backbone interact. energy: -0.004 local terms energy: -27.290722 where: bonds (distance) C4'-P energy: -5.423 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -8.475 flat angles P-C4'-P energy: -2.973 tors. eta vs tors. theta energy: -2.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -66.558844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.558844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.558844 (E_RNA) where: Base-Base interactions energy: -29.299 where: short stacking energy: -28.529 Base-Backbone interact. energy: -0.000 local terms energy: -37.260258 where: bonds (distance) C4'-P energy: -6.897 bonds (distance) P-C4' energy: -9.306 flat angles C4'-P-C4' energy: -8.986 flat angles P-C4'-P energy: -4.129 tors. eta vs tors. theta energy: -7.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -66.245668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.245668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.245668 (E_RNA) where: Base-Base interactions energy: -28.878 where: short stacking energy: -28.878 Base-Backbone interact. energy: -0.000 local terms energy: -37.367937 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.292 flat angles P-C4'-P energy: -4.546 tors. eta vs tors. theta energy: -7.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -59.568581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.568581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.568581 (E_RNA) where: Base-Base interactions energy: -24.593 where: short stacking energy: -24.593 Base-Backbone interact. energy: -0.000 local terms energy: -34.975021 where: bonds (distance) C4'-P energy: -7.614 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -7.169 flat angles P-C4'-P energy: -5.961 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: 4, replica: 4 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -53.304721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.304721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.304721 (E_RNA) where: Base-Base interactions energy: -21.795 where: short stacking energy: -21.795 Base-Backbone interact. energy: -0.000 local terms energy: -31.509034 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -6.967 flat angles P-C4'-P energy: -5.477 tors. eta vs tors. theta energy: -4.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -48.848023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.848023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.848023 (E_RNA) where: Base-Base interactions energy: -22.445 where: short stacking energy: -22.445 Base-Backbone interact. energy: -0.101 local terms energy: -26.302290 where: bonds (distance) C4'-P energy: -7.141 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -7.356 flat angles P-C4'-P energy: -1.852 tors. eta vs tors. theta energy: -3.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -52.889884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.889884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.889884 (E_RNA) where: Base-Base interactions energy: -25.310 where: short stacking energy: -16.603 Base-Backbone interact. energy: -0.110 local terms energy: -27.469793 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -4.369 flat angles P-C4'-P energy: -6.895 tors. eta vs tors. theta energy: -2.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -46.256752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.256752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.256752 (E_RNA) where: Base-Base interactions energy: -17.432 where: short stacking energy: -17.432 Base-Backbone interact. energy: -0.093 local terms energy: -28.730862 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -4.444 flat angles P-C4'-P energy: -7.066 tors. eta vs tors. theta energy: -0.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -49.553902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.553902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.553902 (E_RNA) where: Base-Base interactions energy: -16.955 where: short stacking energy: -16.955 Base-Backbone interact. energy: -0.001 local terms energy: -32.597674 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -7.522 flat angles P-C4'-P energy: -3.891 tors. eta vs tors. theta energy: -3.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -39.415053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.415053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.415053 (E_RNA) where: Base-Base interactions energy: -7.445 where: short stacking energy: -7.445 Base-Backbone interact. energy: -0.022 local terms energy: -31.947851 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.115 flat angles P-C4'-P energy: -6.722 tors. eta vs tors. theta energy: 0.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -39.676401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.676401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.676401 (E_RNA) where: Base-Base interactions energy: -10.910 where: short stacking energy: -10.910 Base-Backbone interact. energy: -0.003 local terms energy: -28.763013 where: bonds (distance) C4'-P energy: -6.752 bonds (distance) P-C4' energy: -7.466 flat angles C4'-P-C4' energy: -6.207 flat angles P-C4'-P energy: -6.504 tors. eta vs tors. theta energy: -1.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -62.192506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.192506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.192506 (E_RNA) where: Base-Base interactions energy: -23.291 where: short stacking energy: -23.291 Base-Backbone interact. energy: -0.003 local terms energy: -38.898940 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.246 flat angles P-C4'-P energy: -6.870 tors. eta vs tors. theta energy: -5.655 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: 147 Temperature: 0.950000 Total energy: -74.310389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.310389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.310389 (E_RNA) where: Base-Base interactions energy: -33.747 where: short stacking energy: -33.747 Base-Backbone interact. energy: -0.000 local terms energy: -40.563754 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -8.625 flat angles C4'-P-C4' energy: -8.796 flat angles P-C4'-P energy: -5.044 tors. eta vs tors. theta energy: -11.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -52.228497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.228497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.228497 (E_RNA) where: Base-Base interactions energy: -21.149 where: short stacking energy: -21.149 Base-Backbone interact. energy: -0.083 local terms energy: -30.996099 where: bonds (distance) C4'-P energy: -8.077 bonds (distance) P-C4' energy: -6.977 flat angles C4'-P-C4' energy: -6.922 flat angles P-C4'-P energy: -5.900 tors. eta vs tors. theta energy: -3.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -73.233331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.233331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.233331 (E_RNA) where: Base-Base interactions energy: -32.943 where: short stacking energy: -31.666 Base-Backbone interact. energy: -0.000 local terms energy: -40.289978 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -7.583 flat angles P-C4'-P energy: -6.792 tors. eta vs tors. theta energy: -9.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -60.685053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.685053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.685053 (E_RNA) where: Base-Base interactions energy: -28.215 where: short stacking energy: -28.215 Base-Backbone interact. energy: 1.352 local terms energy: -33.822518 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -5.111 flat angles P-C4'-P energy: -5.862 tors. eta vs tors. theta energy: -8.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -53.761870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.761870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.761870 (E_RNA) where: Base-Base interactions energy: -18.651 where: short stacking energy: -18.651 Base-Backbone interact. energy: -0.070 local terms energy: -35.041290 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.820 flat angles C4'-P-C4' energy: -8.824 flat angles P-C4'-P energy: -3.812 tors. eta vs tors. theta energy: -6.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -47.148181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.148181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.148181 (E_RNA) where: Base-Base interactions energy: -19.892 where: short stacking energy: -19.892 Base-Backbone interact. energy: -0.034 local terms energy: -27.221717 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -7.172 flat angles P-C4'-P energy: -2.884 tors. eta vs tors. theta energy: -3.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -51.063426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.063426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.063426 (E_RNA) where: Base-Base interactions energy: -19.456 where: short stacking energy: -19.456 Base-Backbone interact. energy: -0.000 local terms energy: -31.607683 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -4.765 flat angles P-C4'-P energy: -4.781 tors. eta vs tors. theta energy: -4.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -48.146000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.146000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.146000 (E_RNA) where: Base-Base interactions energy: -18.402 where: short stacking energy: -18.402 Base-Backbone interact. energy: 0.959 local terms energy: -30.702772 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -1.791 flat angles P-C4'-P energy: -6.851 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: 10, replica: 9 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -43.586528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.586528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.586528 (E_RNA) where: Base-Base interactions energy: -15.349 where: short stacking energy: -15.349 Base-Backbone interact. energy: -0.066 local terms energy: -28.171146 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -4.593 flat angles C4'-P-C4' energy: -7.050 flat angles P-C4'-P energy: -3.829 tors. eta vs tors. theta energy: -5.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -65.979428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.979428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.979428 (E_RNA) where: Base-Base interactions energy: -28.980 where: short stacking energy: -28.980 Base-Backbone interact. energy: -0.000 local terms energy: -36.999316 where: bonds (distance) C4'-P energy: -7.079 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.708 flat angles P-C4'-P energy: -3.568 tors. eta vs tors. theta energy: -8.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -64.300790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.300790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.300790 (E_RNA) where: Base-Base interactions energy: -29.002 where: short stacking energy: -29.002 Base-Backbone interact. energy: -0.017 local terms energy: -35.281422 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -7.748 flat angles P-C4'-P energy: -5.301 tors. eta vs tors. theta energy: -6.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -59.423339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.423339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.423339 (E_RNA) where: Base-Base interactions energy: -23.837 where: short stacking energy: -23.305 Base-Backbone interact. energy: -0.002 local terms energy: -35.584209 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -6.399 flat angles P-C4'-P energy: -4.130 tors. eta vs tors. theta energy: -9.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -49.173597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.173597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.173597 (E_RNA) where: Base-Base interactions energy: -21.872 where: short stacking energy: -21.872 Base-Backbone interact. energy: -0.130 local terms energy: -27.171662 where: bonds (distance) C4'-P energy: -3.535 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -6.459 flat angles P-C4'-P energy: -5.806 tors. eta vs tors. theta energy: -3.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -50.656180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.656180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.656180 (E_RNA) where: Base-Base interactions energy: -20.101 where: short stacking energy: -20.101 Base-Backbone interact. energy: -0.011 local terms energy: -30.543658 where: bonds (distance) C4'-P energy: -6.259 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.554 flat angles P-C4'-P energy: -3.549 tors. eta vs tors. theta energy: -5.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -52.878318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.878318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.878318 (E_RNA) where: Base-Base interactions energy: -19.804 where: short stacking energy: -19.804 Base-Backbone interact. energy: -0.000 local terms energy: -33.074046 where: bonds (distance) C4'-P energy: -6.040 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.117 flat angles P-C4'-P energy: -5.366 tors. eta vs tors. theta energy: -4.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -42.861654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.861654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.861654 (E_RNA) where: Base-Base interactions energy: -16.041 where: short stacking energy: -15.928 Base-Backbone interact. energy: -0.041 local terms energy: -26.779272 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -7.538 flat angles P-C4'-P energy: -3.321 tors. eta vs tors. theta energy: -1.829 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: 7 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -54.691857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.691857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.691857 (E_RNA) where: Base-Base interactions energy: -20.483 where: short stacking energy: -20.483 Base-Backbone interact. energy: -0.000 local terms energy: -34.208147 where: bonds (distance) C4'-P energy: -7.399 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.651 flat angles P-C4'-P energy: -2.762 tors. eta vs tors. theta energy: -7.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -43.194962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.194962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.194962 (E_RNA) where: Base-Base interactions energy: -16.057 where: short stacking energy: -16.057 Base-Backbone interact. energy: -0.154 local terms energy: -26.983835 where: bonds (distance) C4'-P energy: -6.930 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -3.734 flat angles P-C4'-P energy: -3.739 tors. eta vs tors. theta energy: -4.184 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: 2 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -47.377988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.377988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.377988 (E_RNA) where: Base-Base interactions energy: -18.614 where: short stacking energy: -15.652 Base-Backbone interact. energy: -0.053 local terms energy: -28.710697 where: bonds (distance) C4'-P energy: -6.685 bonds (distance) P-C4' energy: -5.278 flat angles C4'-P-C4' energy: -7.385 flat angles P-C4'-P energy: -6.766 tors. eta vs tors. theta energy: -2.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -64.339390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.339390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.339390 (E_RNA) where: Base-Base interactions energy: -27.264 where: short stacking energy: -27.264 Base-Backbone interact. energy: -0.000 local terms energy: -37.075470 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -8.636 flat angles P-C4'-P energy: -4.025 tors. eta vs tors. theta energy: -7.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -58.058948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.058948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.058948 (E_RNA) where: Base-Base interactions energy: -23.099 where: short stacking energy: -23.099 Base-Backbone interact. energy: -0.075 local terms energy: -34.884296 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -8.640 flat angles P-C4'-P energy: -5.449 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: 3, replica: 8 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -61.028542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.028542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.028542 (E_RNA) where: Base-Base interactions energy: -29.551 where: short stacking energy: -16.595 Base-Backbone interact. energy: -0.047 local terms energy: -31.430393 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -6.569 flat angles P-C4'-P energy: -6.154 tors. eta vs tors. theta energy: -2.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -57.238727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.238727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.238727 (E_RNA) where: Base-Base interactions energy: -25.801 where: short stacking energy: -25.801 Base-Backbone interact. energy: -0.000 local terms energy: -31.437451 where: bonds (distance) C4'-P energy: -6.549 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -5.142 flat angles P-C4'-P energy: -4.779 tors. eta vs tors. theta energy: -7.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -50.699524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.699524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.699524 (E_RNA) where: Base-Base interactions energy: -19.194 where: short stacking energy: -19.194 Base-Backbone interact. energy: -0.080 local terms energy: -31.425299 where: bonds (distance) C4'-P energy: -7.443 bonds (distance) P-C4' energy: -8.880 flat angles C4'-P-C4' energy: -5.022 flat angles P-C4'-P energy: -3.312 tors. eta vs tors. theta energy: -6.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -61.019962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.019962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.019962 (E_RNA) where: Base-Base interactions energy: -25.905 where: short stacking energy: -20.325 Base-Backbone interact. energy: -0.763 local terms energy: -34.351787 where: bonds (distance) C4'-P energy: -5.730 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.305 flat angles P-C4'-P energy: -6.772 tors. eta vs tors. theta energy: -4.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -61.036283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.036283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.036283 (E_RNA) where: Base-Base interactions energy: -26.894 where: short stacking energy: -26.894 Base-Backbone interact. energy: -0.000 local terms energy: -34.142422 where: bonds (distance) C4'-P energy: -5.067 bonds (distance) P-C4' energy: -7.947 flat angles C4'-P-C4' energy: -5.559 flat angles P-C4'-P energy: -7.210 tors. eta vs tors. theta energy: -8.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -45.079090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.079090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.079090 (E_RNA) where: Base-Base interactions energy: -18.663 where: short stacking energy: -18.663 Base-Backbone interact. energy: -0.004 local terms energy: -26.412425 where: bonds (distance) C4'-P energy: -5.002 bonds (distance) P-C4' energy: -8.203 flat angles C4'-P-C4' energy: -7.631 flat angles P-C4'-P energy: -3.856 tors. eta vs tors. theta energy: -1.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -42.037957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.037957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.037957 (E_RNA) where: Base-Base interactions energy: -15.939 where: short stacking energy: -15.939 Base-Backbone interact. energy: -0.199 local terms energy: -25.899876 where: bonds (distance) C4'-P energy: -6.726 bonds (distance) P-C4' energy: -7.183 flat angles C4'-P-C4' energy: -1.761 flat angles P-C4'-P energy: -6.530 tors. eta vs tors. theta energy: -3.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -51.826577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.826577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.826577 (E_RNA) where: Base-Base interactions energy: -23.233 where: short stacking energy: -23.233 Base-Backbone interact. energy: -0.000 local terms energy: -28.593167 where: bonds (distance) C4'-P energy: -6.194 bonds (distance) P-C4' energy: -6.222 flat angles C4'-P-C4' energy: -6.708 flat angles P-C4'-P energy: -4.567 tors. eta vs tors. theta energy: -4.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -61.677418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.677418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.677418 (E_RNA) where: Base-Base interactions energy: -26.373 where: short stacking energy: -15.899 Base-Backbone interact. energy: -0.009 local terms energy: -35.296284 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -9.185 flat angles P-C4'-P energy: -4.502 tors. eta vs tors. theta energy: -5.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -65.906534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.906534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.906534 (E_RNA) where: Base-Base interactions energy: -27.917 where: short stacking energy: -27.917 Base-Backbone interact. energy: -0.000 local terms energy: -37.989712 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -7.585 flat angles P-C4'-P energy: -5.300 tors. eta vs tors. theta energy: -9.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -57.911325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.911325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.911325 (E_RNA) where: Base-Base interactions energy: -28.082 where: short stacking energy: -28.082 Base-Backbone interact. energy: -0.000 local terms energy: -29.828866 where: bonds (distance) C4'-P energy: -5.299 bonds (distance) P-C4' energy: -7.466 flat angles C4'-P-C4' energy: -7.684 flat angles P-C4'-P energy: -4.381 tors. eta vs tors. theta energy: -4.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -51.293747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.293747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.293747 (E_RNA) where: Base-Base interactions energy: -21.544 where: short stacking energy: -17.958 Base-Backbone interact. energy: -0.116 local terms energy: -29.633036 where: bonds (distance) C4'-P energy: -6.540 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -7.883 flat angles P-C4'-P energy: -5.346 tors. eta vs tors. theta energy: -1.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -51.033661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.033661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.033661 (E_RNA) where: Base-Base interactions energy: -23.844 where: short stacking energy: -23.844 Base-Backbone interact. energy: -0.182 local terms energy: -27.008239 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -7.020 flat angles P-C4'-P energy: -2.709 tors. eta vs tors. theta energy: -3.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -50.656872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.656872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.656872 (E_RNA) where: Base-Base interactions energy: -27.937 where: short stacking energy: -14.015 Base-Backbone interact. energy: -0.028 local terms energy: -22.692282 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -6.548 flat angles C4'-P-C4' energy: -4.793 flat angles P-C4'-P energy: -1.235 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: 7, replica: 7 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -48.106469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.106469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.106469 (E_RNA) where: Base-Base interactions energy: -22.571 where: short stacking energy: -17.070 Base-Backbone interact. energy: -0.036 local terms energy: -25.499262 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -8.355 flat angles C4'-P-C4' energy: -2.256 flat angles P-C4'-P energy: -5.509 tors. eta vs tors. theta energy: -2.412 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: 4 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -42.511512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.511512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.511512 (E_RNA) where: Base-Base interactions energy: -17.234 where: short stacking energy: -17.234 Base-Backbone interact. energy: -0.001 local terms energy: -25.276569 where: bonds (distance) C4'-P energy: -0.554 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -6.804 flat angles P-C4'-P energy: -2.473 tors. eta vs tors. theta energy: -6.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -54.115542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.115542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.115542 (E_RNA) where: Base-Base interactions energy: -32.537 where: short stacking energy: -8.933 Base-Backbone interact. energy: -0.182 local terms energy: -21.396606 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -2.588 flat angles P-C4'-P energy: -4.126 tors. eta vs tors. theta energy: -0.821 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: 9 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -50.130515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.130515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.130515 (E_RNA) where: Base-Base interactions energy: -18.461 where: short stacking energy: -18.461 Base-Backbone interact. energy: -0.026 local terms energy: -31.642983 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -8.536 flat angles P-C4'-P energy: -3.978 tors. eta vs tors. theta energy: -2.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -75.797492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.797492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.797492 (E_RNA) where: Base-Base interactions energy: -41.341 where: short stacking energy: -22.564 Base-Backbone interact. energy: -0.001 local terms energy: -34.455708 where: bonds (distance) C4'-P energy: -7.700 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -4.856 flat angles P-C4'-P energy: -5.263 tors. eta vs tors. theta energy: -7.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -67.514762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.514762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.514762 (E_RNA) where: Base-Base interactions energy: -30.947 where: short stacking energy: -30.947 Base-Backbone interact. energy: -0.000 local terms energy: -36.567678 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -3.377 flat angles C4'-P-C4' energy: -8.035 flat angles P-C4'-P energy: -7.781 tors. eta vs tors. theta energy: -10.417 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: 6 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -51.819785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.819785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.819785 (E_RNA) where: Base-Base interactions energy: -21.908 where: short stacking energy: -20.950 Base-Backbone interact. energy: -0.490 local terms energy: -29.421140 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -7.807 flat angles P-C4'-P energy: -3.908 tors. eta vs tors. theta energy: -3.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -66.900613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.900613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.900613 (E_RNA) where: Base-Base interactions energy: -29.133 where: short stacking energy: -23.833 Base-Backbone interact. energy: -0.000 local terms energy: -37.767575 where: bonds (distance) C4'-P energy: -7.944 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.763 flat angles P-C4'-P energy: -3.692 tors. eta vs tors. theta energy: -9.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -46.484061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.484061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.484061 (E_RNA) where: Base-Base interactions energy: -14.604 where: short stacking energy: -11.317 Base-Backbone interact. energy: -0.124 local terms energy: -31.756368 where: bonds (distance) C4'-P energy: -7.018 bonds (distance) P-C4' energy: -7.498 flat angles C4'-P-C4' energy: -9.241 flat angles P-C4'-P energy: -5.955 tors. eta vs tors. theta energy: -2.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -51.859101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.859101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.859101 (E_RNA) where: Base-Base interactions energy: -19.776 where: short stacking energy: -19.776 Base-Backbone interact. energy: -0.053 local terms energy: -32.029693 where: bonds (distance) C4'-P energy: -7.696 bonds (distance) P-C4' energy: -7.299 flat angles C4'-P-C4' energy: -7.928 flat angles P-C4'-P energy: -6.737 tors. eta vs tors. theta energy: -2.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -47.251841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.251841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.251841 (E_RNA) where: Base-Base interactions energy: -15.229 where: short stacking energy: -15.229 Base-Backbone interact. energy: -0.012 local terms energy: -32.010214 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -7.054 flat angles P-C4'-P energy: -5.223 tors. eta vs tors. theta energy: -3.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -45.940201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.940201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.940201 (E_RNA) where: Base-Base interactions energy: -17.703 where: short stacking energy: -14.960 Base-Backbone interact. energy: -0.775 local terms energy: -27.463025 where: bonds (distance) C4'-P energy: -6.805 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -8.276 flat angles P-C4'-P energy: -1.764 tors. eta vs tors. theta energy: -1.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -44.694992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.694992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.694992 (E_RNA) where: Base-Base interactions energy: -14.366 where: short stacking energy: -14.366 Base-Backbone interact. energy: -0.008 local terms energy: -30.321308 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.277 flat angles C4'-P-C4' energy: -7.424 flat angles P-C4'-P energy: -1.492 tors. eta vs tors. theta energy: -4.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -42.178947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.178947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.178947 (E_RNA) where: Base-Base interactions energy: -14.882 where: short stacking energy: -14.882 Base-Backbone interact. energy: -0.001 local terms energy: -27.295057 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -6.216 flat angles C4'-P-C4' energy: -6.307 flat angles P-C4'-P energy: -5.200 tors. eta vs tors. theta energy: -1.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -74.176818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.176818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.176818 (E_RNA) where: Base-Base interactions energy: -35.859 where: short stacking energy: -34.601 Base-Backbone interact. energy: -0.000 local terms energy: -38.317474 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -6.838 flat angles P-C4'-P energy: -4.514 tors. eta vs tors. theta energy: -10.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -60.048798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.048798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.048798 (E_RNA) where: Base-Base interactions energy: -26.710 where: short stacking energy: -21.886 Base-Backbone interact. energy: -0.000 local terms energy: -33.338652 where: bonds (distance) C4'-P energy: -7.104 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -8.044 flat angles P-C4'-P energy: -5.200 tors. eta vs tors. theta energy: -5.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -57.664462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.664462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.664462 (E_RNA) where: Base-Base interactions energy: -26.224 where: short stacking energy: -26.224 Base-Backbone interact. energy: -0.000 local terms energy: -31.440637 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -7.474 flat angles P-C4'-P energy: -2.530 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: 4, replica: 6 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -54.496640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.496640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.496640 (E_RNA) where: Base-Base interactions energy: -25.566 where: short stacking energy: -17.125 Base-Backbone interact. energy: -0.969 local terms energy: -27.961646 where: bonds (distance) C4'-P energy: -5.290 bonds (distance) P-C4' energy: -8.451 flat angles C4'-P-C4' energy: -6.976 flat angles P-C4'-P energy: -4.068 tors. eta vs tors. theta energy: -3.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -55.036615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.036615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.036615 (E_RNA) where: Base-Base interactions energy: -20.826 where: short stacking energy: -20.826 Base-Backbone interact. energy: -0.000 local terms energy: -34.210053 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -6.523 flat angles C4'-P-C4' energy: -8.497 flat angles P-C4'-P energy: -5.055 tors. eta vs tors. theta energy: -5.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -55.340598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.340598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.340598 (E_RNA) where: Base-Base interactions energy: -24.293 where: short stacking energy: -23.459 Base-Backbone interact. energy: -0.061 local terms energy: -30.985894 where: bonds (distance) C4'-P energy: -6.015 bonds (distance) P-C4' energy: -6.971 flat angles C4'-P-C4' energy: -5.257 flat angles P-C4'-P energy: -5.367 tors. eta vs tors. theta energy: -7.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -50.582869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.582869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.582869 (E_RNA) where: Base-Base interactions energy: -18.927 where: short stacking energy: -18.893 Base-Backbone interact. energy: -0.000 local terms energy: -31.655121 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -8.778 flat angles C4'-P-C4' energy: -7.208 flat angles P-C4'-P energy: -3.596 tors. eta vs tors. theta energy: -4.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -47.249389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.249389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.249389 (E_RNA) where: Base-Base interactions energy: -15.112 where: short stacking energy: -15.112 Base-Backbone interact. energy: -0.000 local terms energy: -32.137649 where: bonds (distance) C4'-P energy: -7.223 bonds (distance) P-C4' energy: -7.826 flat angles C4'-P-C4' energy: -9.190 flat angles P-C4'-P energy: -4.586 tors. eta vs tors. theta energy: -3.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -47.979064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.979064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.979064 (E_RNA) where: Base-Base interactions energy: -19.394 where: short stacking energy: -19.394 Base-Backbone interact. energy: -0.021 local terms energy: -28.563562 where: bonds (distance) C4'-P energy: -5.138 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -7.684 flat angles P-C4'-P energy: -5.079 tors. eta vs tors. theta energy: -4.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -47.282619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.282619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.282619 (E_RNA) where: Base-Base interactions energy: -15.242 where: short stacking energy: -15.242 Base-Backbone interact. energy: -0.003 local terms energy: -32.036988 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -5.943 flat angles P-C4'-P energy: -5.103 tors. eta vs tors. theta energy: -4.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -59.384591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.384591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.384591 (E_RNA) where: Base-Base interactions energy: -26.131 where: short stacking energy: -26.131 Base-Backbone interact. energy: -0.002 local terms energy: -33.251321 where: bonds (distance) C4'-P energy: -7.320 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -6.973 flat angles P-C4'-P energy: -3.137 tors. eta vs tors. theta energy: -7.651 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: 5 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -67.243029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.243029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.243029 (E_RNA) where: Base-Base interactions energy: -31.695 where: short stacking energy: -31.695 Base-Backbone interact. energy: -0.000 local terms energy: -35.547344 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.861 flat angles P-C4'-P energy: -3.967 tors. eta vs tors. theta energy: -8.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -60.546458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.546458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.546458 (E_RNA) where: Base-Base interactions energy: -33.480 where: short stacking energy: -19.293 Base-Backbone interact. energy: -0.002 local terms energy: -27.064204 where: bonds (distance) C4'-P energy: -6.893 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.283 flat angles P-C4'-P energy: -1.157 tors. eta vs tors. theta energy: -2.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -53.344693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.344693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.344693 (E_RNA) where: Base-Base interactions energy: -25.832 where: short stacking energy: -15.689 Base-Backbone interact. energy: -0.102 local terms energy: -27.410022 where: bonds (distance) C4'-P energy: -8.299 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -6.698 flat angles P-C4'-P energy: -3.298 tors. eta vs tors. theta energy: -1.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -48.192637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.192637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.192637 (E_RNA) where: Base-Base interactions energy: -20.352 where: short stacking energy: -20.352 Base-Backbone interact. energy: -0.043 local terms energy: -27.798249 where: bonds (distance) C4'-P energy: -7.361 bonds (distance) P-C4' energy: -4.870 flat angles C4'-P-C4' energy: -7.661 flat angles P-C4'-P energy: -2.213 tors. eta vs tors. theta energy: -5.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -48.442605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.442605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.442605 (E_RNA) where: Base-Base interactions energy: -16.919 where: short stacking energy: -16.029 Base-Backbone interact. energy: -0.004 local terms energy: -31.520036 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -6.219 flat angles C4'-P-C4' energy: -8.967 flat angles P-C4'-P energy: -7.419 tors. eta vs tors. theta energy: -1.823 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: 7, replica: 1 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -52.025285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.025285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.025285 (E_RNA) where: Base-Base interactions energy: -31.756 where: short stacking energy: -12.340 Base-Backbone interact. energy: -0.029 local terms energy: -20.240468 where: bonds (distance) C4'-P energy: -4.152 bonds (distance) P-C4' energy: -5.448 flat angles C4'-P-C4' energy: -6.827 flat angles P-C4'-P energy: -4.530 tors. eta vs tors. theta energy: 0.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -46.846835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.846835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.846835 (E_RNA) where: Base-Base interactions energy: -21.104 where: short stacking energy: -19.205 Base-Backbone interact. energy: -0.095 local terms energy: -25.647592 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -8.798 flat angles C4'-P-C4' energy: -5.057 flat angles P-C4'-P energy: -3.664 tors. eta vs tors. theta energy: -2.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -51.691048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.691048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.691048 (E_RNA) where: Base-Base interactions energy: -19.906 where: short stacking energy: -17.228 Base-Backbone interact. energy: -2.038 local terms energy: -29.747384 where: bonds (distance) C4'-P energy: -6.813 bonds (distance) P-C4' energy: -5.843 flat angles C4'-P-C4' energy: -7.773 flat angles P-C4'-P energy: -4.500 tors. eta vs tors. theta energy: -4.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -47.514631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.514631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.514631 (E_RNA) where: Base-Base interactions energy: -17.864 where: short stacking energy: -17.864 Base-Backbone interact. energy: -0.000 local terms energy: -29.650834 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -7.536 flat angles C4'-P-C4' energy: -7.335 flat angles P-C4'-P energy: -4.116 tors. eta vs tors. theta energy: -3.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -74.611745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.611745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.611745 (E_RNA) where: Base-Base interactions energy: -35.920 where: short stacking energy: -35.920 Base-Backbone interact. energy: -0.000 local terms energy: -38.691286 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -7.822 flat angles P-C4'-P energy: -4.489 tors. eta vs tors. theta energy: -10.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -55.953373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.953373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.953373 (E_RNA) where: Base-Base interactions energy: -20.389 where: short stacking energy: -20.389 Base-Backbone interact. energy: -0.081 local terms energy: -35.483547 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -8.561 flat angles P-C4'-P energy: -7.504 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: 3, replica: 8 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -55.509996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.509996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.509996 (E_RNA) where: Base-Base interactions energy: -21.808 where: short stacking energy: -21.808 Base-Backbone interact. energy: -0.104 local terms energy: -33.597638 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.294 flat angles P-C4'-P energy: -5.889 tors. eta vs tors. theta energy: -3.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -52.596980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.596980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.596980 (E_RNA) where: Base-Base interactions energy: -18.396 where: short stacking energy: -18.254 Base-Backbone interact. energy: -0.022 local terms energy: -34.178902 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.624 flat angles P-C4'-P energy: -6.348 tors. eta vs tors. theta energy: -4.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -54.891805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.891805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.891805 (E_RNA) where: Base-Base interactions energy: -20.905 where: short stacking energy: -20.901 Base-Backbone interact. energy: -0.046 local terms energy: -33.940816 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.574 flat angles P-C4'-P energy: -4.135 tors. eta vs tors. theta energy: -5.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -52.933297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.933297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.933297 (E_RNA) where: Base-Base interactions energy: -27.674 where: short stacking energy: -14.900 Base-Backbone interact. energy: -0.054 local terms energy: -25.205012 where: bonds (distance) C4'-P energy: -6.821 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -4.809 flat angles P-C4'-P energy: -5.221 tors. eta vs tors. theta energy: -1.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -43.979964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.979964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.979964 (E_RNA) where: Base-Base interactions energy: -13.950 where: short stacking energy: -10.613 Base-Backbone interact. energy: -0.226 local terms energy: -29.804311 where: bonds (distance) C4'-P energy: -6.790 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -6.381 flat angles P-C4'-P energy: -6.647 tors. eta vs tors. theta energy: -1.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -47.890187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.890187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.890187 (E_RNA) where: Base-Base interactions energy: -17.925 where: short stacking energy: -17.818 Base-Backbone interact. energy: -0.214 local terms energy: -29.751231 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -9.137 flat angles C4'-P-C4' energy: -8.514 flat angles P-C4'-P energy: -4.225 tors. eta vs tors. theta energy: -2.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -41.831372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.831372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.831372 (E_RNA) where: Base-Base interactions energy: -17.304 where: short stacking energy: -8.379 Base-Backbone interact. energy: -0.022 local terms energy: -24.505347 where: bonds (distance) C4'-P energy: -7.609 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -2.666 flat angles P-C4'-P energy: -6.456 tors. eta vs tors. theta energy: 1.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -38.657248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.657248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.657248 (E_RNA) where: Base-Base interactions energy: -13.328 where: short stacking energy: -10.042 Base-Backbone interact. energy: -0.025 local terms energy: -25.303844 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -8.547 flat angles P-C4'-P energy: 1.057 tors. eta vs tors. theta energy: -2.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -60.519441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.519441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.519441 (E_RNA) where: Base-Base interactions energy: -27.450 where: short stacking energy: -25.769 Base-Backbone interact. energy: -0.014 local terms energy: -33.055067 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -5.445 flat angles P-C4'-P energy: -4.962 tors. eta vs tors. theta energy: -6.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -63.015252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.015252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.015252 (E_RNA) where: Base-Base interactions energy: -26.768 where: short stacking energy: -25.141 Base-Backbone interact. energy: -0.003 local terms energy: -36.244188 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -7.818 flat angles C4'-P-C4' energy: -7.828 flat angles P-C4'-P energy: -5.986 tors. eta vs tors. theta energy: -6.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -49.828658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.828658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.828658 (E_RNA) where: Base-Base interactions energy: -15.775 where: short stacking energy: -15.775 Base-Backbone interact. energy: -0.072 local terms energy: -33.981285 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -7.431 flat angles C4'-P-C4' energy: -8.165 flat angles P-C4'-P energy: -6.308 tors. eta vs tors. theta energy: -3.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -60.285174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.285174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.285174 (E_RNA) where: Base-Base interactions energy: -26.147 where: short stacking energy: -26.147 Base-Backbone interact. energy: -0.035 local terms energy: -34.102795 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -6.971 flat angles C4'-P-C4' energy: -6.952 flat angles P-C4'-P energy: -5.338 tors. eta vs tors. theta energy: -6.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -51.913482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.913482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.913482 (E_RNA) where: Base-Base interactions energy: -22.101 where: short stacking energy: -19.185 Base-Backbone interact. energy: -0.059 local terms energy: -29.754041 where: bonds (distance) C4'-P energy: -5.555 bonds (distance) P-C4' energy: -8.121 flat angles C4'-P-C4' energy: -6.849 flat angles P-C4'-P energy: -6.495 tors. eta vs tors. theta energy: -2.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -38.958994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.958994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.958994 (E_RNA) where: Base-Base interactions energy: -13.387 where: short stacking energy: -13.387 Base-Backbone interact. energy: -0.097 local terms energy: -25.474910 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -6.892 flat angles C4'-P-C4' energy: -7.166 flat angles P-C4'-P energy: -4.788 tors. eta vs tors. theta energy: 0.860 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: 6 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -48.805655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.805655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.805655 (E_RNA) where: Base-Base interactions energy: -22.732 where: short stacking energy: -20.108 Base-Backbone interact. energy: -0.042 local terms energy: -26.031261 where: bonds (distance) C4'-P energy: -5.138 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -6.947 flat angles P-C4'-P energy: -5.018 tors. eta vs tors. theta energy: -3.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -48.102268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.102268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.102268 (E_RNA) where: Base-Base interactions energy: -22.938 where: short stacking energy: -17.890 Base-Backbone interact. energy: -0.001 local terms energy: -25.162941 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -8.908 flat angles C4'-P-C4' energy: -5.403 flat angles P-C4'-P energy: -2.880 tors. eta vs tors. theta energy: -3.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -42.227555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.227555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.227555 (E_RNA) where: Base-Base interactions energy: -15.065 where: short stacking energy: -15.065 Base-Backbone interact. energy: -0.007 local terms energy: -27.154832 where: bonds (distance) C4'-P energy: -8.309 bonds (distance) P-C4' energy: -5.668 flat angles C4'-P-C4' energy: -7.143 flat angles P-C4'-P energy: -3.370 tors. eta vs tors. theta energy: -2.665 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: 2 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -43.456585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.456585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.456585 (E_RNA) where: Base-Base interactions energy: -14.120 where: short stacking energy: -14.120 Base-Backbone interact. energy: -0.085 local terms energy: -29.252367 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -5.003 flat angles C4'-P-C4' energy: -9.134 flat angles P-C4'-P energy: -3.220 tors. eta vs tors. theta energy: -4.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -63.253048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.253048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.253048 (E_RNA) where: Base-Base interactions energy: -28.726 where: short stacking energy: -28.726 Base-Backbone interact. energy: -0.045 local terms energy: -34.482524 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -6.305 flat angles P-C4'-P energy: -6.623 tors. eta vs tors. theta energy: -5.670 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: 5 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -71.289345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.289345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.289345 (E_RNA) where: Base-Base interactions energy: -34.523 where: short stacking energy: -19.011 Base-Backbone interact. energy: -0.000 local terms energy: -36.766641 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.557 flat angles P-C4'-P energy: -4.840 tors. eta vs tors. theta energy: -7.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -57.462925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.462925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.462925 (E_RNA) where: Base-Base interactions energy: -23.441 where: short stacking energy: -23.441 Base-Backbone interact. energy: -0.048 local terms energy: -33.973423 where: bonds (distance) C4'-P energy: -5.351 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -6.504 flat angles P-C4'-P energy: -7.339 tors. eta vs tors. theta energy: -7.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -57.625923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.625923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.625923 (E_RNA) where: Base-Base interactions energy: -21.571 where: short stacking energy: -21.571 Base-Backbone interact. energy: -0.106 local terms energy: -35.949017 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.468 flat angles P-C4'-P energy: -4.753 tors. eta vs tors. theta energy: -5.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -55.566727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.566727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.566727 (E_RNA) where: Base-Base interactions energy: -26.231 where: short stacking energy: -19.043 Base-Backbone interact. energy: -0.005 local terms energy: -29.331170 where: bonds (distance) C4'-P energy: -7.455 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -7.210 flat angles P-C4'-P energy: -0.063 tors. eta vs tors. theta energy: -5.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -53.408162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.408162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.408162 (E_RNA) where: Base-Base interactions energy: -22.786 where: short stacking energy: -22.786 Base-Backbone interact. energy: -0.000 local terms energy: -30.622461 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -7.246 flat angles P-C4'-P energy: -6.339 tors. eta vs tors. theta energy: -2.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -43.009129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.009129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.009129 (E_RNA) where: Base-Base interactions energy: -11.487 where: short stacking energy: -12.487 Base-Backbone interact. energy: -0.048 local terms energy: -31.474519 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.214 flat angles P-C4'-P energy: -6.170 tors. eta vs tors. theta energy: 0.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -42.663208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.663208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.663208 (E_RNA) where: Base-Base interactions energy: -15.439 where: short stacking energy: -12.962 Base-Backbone interact. energy: -0.132 local terms energy: -27.092637 where: bonds (distance) C4'-P energy: -7.530 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -8.492 flat angles P-C4'-P energy: -5.921 tors. eta vs tors. theta energy: 3.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -41.132289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.132289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.132289 (E_RNA) where: Base-Base interactions energy: -15.481 where: short stacking energy: -15.481 Base-Backbone interact. energy: 0.865 local terms energy: -26.516475 where: bonds (distance) C4'-P energy: -6.138 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -4.844 flat angles P-C4'-P energy: -2.378 tors. eta vs tors. theta energy: -5.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -44.030765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.030765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.030765 (E_RNA) where: Base-Base interactions energy: -16.991 where: short stacking energy: -16.852 Base-Backbone interact. energy: -0.002 local terms energy: -27.036942 where: bonds (distance) C4'-P energy: -6.761 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -2.782 flat angles P-C4'-P energy: -3.467 tors. eta vs tors. theta energy: -4.939 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: 8 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -68.039368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.039368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.039368 (E_RNA) where: Base-Base interactions energy: -29.675 where: short stacking energy: -29.675 Base-Backbone interact. energy: 0.077 local terms energy: -38.441015 where: bonds (distance) C4'-P energy: -9.144 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -6.699 flat angles P-C4'-P energy: -7.298 tors. eta vs tors. theta energy: -6.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -57.977605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.977605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.977605 (E_RNA) where: Base-Base interactions energy: -24.839 where: short stacking energy: -13.703 Base-Backbone interact. energy: -0.871 local terms energy: -32.267985 where: bonds (distance) C4'-P energy: -7.100 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -8.242 flat angles P-C4'-P energy: -4.625 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: 3, replica: 7 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -56.715535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.715535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.715535 (E_RNA) where: Base-Base interactions energy: -22.699 where: short stacking energy: -22.699 Base-Backbone interact. energy: -0.101 local terms energy: -33.915732 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.638 flat angles P-C4'-P energy: -3.018 tors. eta vs tors. theta energy: -6.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -62.751091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.751091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.751091 (E_RNA) where: Base-Base interactions energy: -32.554 where: short stacking energy: -17.726 Base-Backbone interact. energy: -0.022 local terms energy: -30.174217 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.413 flat angles P-C4'-P energy: -6.147 tors. eta vs tors. theta energy: -4.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -59.297705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.297705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.297705 (E_RNA) where: Base-Base interactions energy: -27.279 where: short stacking energy: -23.819 Base-Backbone interact. energy: -0.014 local terms energy: -32.004645 where: bonds (distance) C4'-P energy: -6.325 bonds (distance) P-C4' energy: -6.681 flat angles C4'-P-C4' energy: -8.111 flat angles P-C4'-P energy: -5.728 tors. eta vs tors. theta energy: -5.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -48.918854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.918854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.918854 (E_RNA) where: Base-Base interactions energy: -25.036 where: short stacking energy: -19.524 Base-Backbone interact. energy: -0.005 local terms energy: -23.877321 where: bonds (distance) C4'-P energy: -7.696 bonds (distance) P-C4' energy: -6.526 flat angles C4'-P-C4' energy: -6.850 flat angles P-C4'-P energy: -3.423 tors. eta vs tors. theta energy: 0.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -52.269738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.269738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.269738 (E_RNA) where: Base-Base interactions energy: -23.202 where: short stacking energy: -23.202 Base-Backbone interact. energy: -0.000 local terms energy: -29.068080 where: bonds (distance) C4'-P energy: -4.596 bonds (distance) P-C4' energy: -7.192 flat angles C4'-P-C4' energy: -9.570 flat angles P-C4'-P energy: -1.984 tors. eta vs tors. theta energy: -5.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -41.480217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.480217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.480217 (E_RNA) where: Base-Base interactions energy: -11.313 where: short stacking energy: -11.313 Base-Backbone interact. energy: -0.004 local terms energy: -30.162475 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -7.276 flat angles P-C4'-P energy: -4.477 tors. eta vs tors. theta energy: -1.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -42.151171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.151171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.151171 (E_RNA) where: Base-Base interactions energy: -15.221 where: short stacking energy: -15.221 Base-Backbone interact. energy: -0.077 local terms energy: -26.853428 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -6.287 flat angles C4'-P-C4' energy: -6.159 flat angles P-C4'-P energy: -3.698 tors. eta vs tors. theta energy: -3.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -40.025881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.025881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.025881 (E_RNA) where: Base-Base interactions energy: -13.306 where: short stacking energy: -13.306 Base-Backbone interact. energy: -0.068 local terms energy: -26.652229 where: bonds (distance) C4'-P energy: -6.512 bonds (distance) P-C4' energy: -7.572 flat angles C4'-P-C4' energy: -6.448 flat angles P-C4'-P energy: -5.281 tors. eta vs tors. theta energy: -0.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -64.297912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.297912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.297912 (E_RNA) where: Base-Base interactions energy: -30.756 where: short stacking energy: -30.756 Base-Backbone interact. energy: -0.000 local terms energy: -33.541340 where: bonds (distance) C4'-P energy: -6.699 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -7.035 flat angles P-C4'-P energy: -2.591 tors. eta vs tors. theta energy: -8.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -71.775385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.775385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.775385 (E_RNA) where: Base-Base interactions energy: -33.844 where: short stacking energy: -30.496 Base-Backbone interact. energy: -0.001 local terms energy: -37.930428 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -8.778 flat angles C4'-P-C4' energy: -8.668 flat angles P-C4'-P energy: -4.204 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: 3, replica: 9 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -56.827470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.827470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.827470 (E_RNA) where: Base-Base interactions energy: -24.717 where: short stacking energy: -24.717 Base-Backbone interact. energy: -0.038 local terms energy: -32.073154 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -5.334 flat angles P-C4'-P energy: -5.873 tors. eta vs tors. theta energy: -5.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -57.734783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.734783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.734783 (E_RNA) where: Base-Base interactions energy: -26.442 where: short stacking energy: -26.442 Base-Backbone interact. energy: -0.000 local terms energy: -31.293131 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.320 flat angles P-C4'-P energy: -3.783 tors. eta vs tors. theta energy: -4.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -56.147537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.147537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.147537 (E_RNA) where: Base-Base interactions energy: -29.993 where: short stacking energy: -21.697 Base-Backbone interact. energy: -0.000 local terms energy: -26.154233 where: bonds (distance) C4'-P energy: -4.363 bonds (distance) P-C4' energy: -6.980 flat angles C4'-P-C4' energy: -6.162 flat angles P-C4'-P energy: -5.094 tors. eta vs tors. theta energy: -3.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -60.347541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.347541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.347541 (E_RNA) where: Base-Base interactions energy: -26.460 where: short stacking energy: -20.164 Base-Backbone interact. energy: -0.026 local terms energy: -33.861795 where: bonds (distance) C4'-P energy: -7.886 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -5.099 flat angles P-C4'-P energy: -5.661 tors. eta vs tors. theta energy: -6.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -41.599794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.599794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.599794 (E_RNA) where: Base-Base interactions energy: -13.485 where: short stacking energy: -13.485 Base-Backbone interact. energy: -0.002 local terms energy: -28.113417 where: bonds (distance) C4'-P energy: -6.938 bonds (distance) P-C4' energy: -9.546 flat angles C4'-P-C4' energy: -7.048 flat angles P-C4'-P energy: -4.301 tors. eta vs tors. theta energy: -0.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -51.563843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.563843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.563843 (E_RNA) where: Base-Base interactions energy: -19.565 where: short stacking energy: -18.874 Base-Backbone interact. energy: -0.001 local terms energy: -31.997523 where: bonds (distance) C4'-P energy: -6.897 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -5.629 flat angles P-C4'-P energy: -5.397 tors. eta vs tors. theta energy: -6.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -42.712520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.712520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.712520 (E_RNA) where: Base-Base interactions energy: -13.308 where: short stacking energy: -12.858 Base-Backbone interact. energy: 0.178 local terms energy: -29.581920 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -6.098 flat angles P-C4'-P energy: -4.739 tors. eta vs tors. theta energy: -1.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -41.309805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.309805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.309805 (E_RNA) where: Base-Base interactions energy: -13.271 where: short stacking energy: -9.309 Base-Backbone interact. energy: -0.043 local terms energy: -27.995260 where: bonds (distance) C4'-P energy: -5.036 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -6.794 flat angles P-C4'-P energy: -3.456 tors. eta vs tors. theta energy: -4.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -64.979163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.979163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.979163 (E_RNA) where: Base-Base interactions energy: -28.966 where: short stacking energy: -28.966 Base-Backbone interact. energy: -0.017 local terms energy: -35.996363 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -9.236 flat angles P-C4'-P energy: -3.618 tors. eta vs tors. theta energy: -5.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -66.495001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.495001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.495001 (E_RNA) where: Base-Base interactions energy: -28.733 where: short stacking energy: -28.733 Base-Backbone interact. energy: -0.000 local terms energy: -37.761623 where: bonds (distance) C4'-P energy: -6.685 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.636 flat angles P-C4'-P energy: -5.601 tors. eta vs tors. theta energy: -8.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -73.069540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.069540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.069540 (E_RNA) where: Base-Base interactions energy: -37.130 where: short stacking energy: -29.758 Base-Backbone interact. energy: -0.418 local terms energy: -35.522422 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -7.810 flat angles P-C4'-P energy: -5.726 tors. eta vs tors. theta energy: -6.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -49.745321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.745321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.745321 (E_RNA) where: Base-Base interactions energy: -22.950 where: short stacking energy: -22.950 Base-Backbone interact. energy: -0.018 local terms energy: -26.777002 where: bonds (distance) C4'-P energy: -6.210 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -4.306 flat angles P-C4'-P energy: -5.957 tors. eta vs tors. theta energy: -4.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -57.238413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.238413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.238413 (E_RNA) where: Base-Base interactions energy: -23.047 where: short stacking energy: -19.922 Base-Backbone interact. energy: -1.055 local terms energy: -33.136939 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.693 flat angles P-C4'-P energy: -4.228 tors. eta vs tors. theta energy: -4.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -55.128789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.128789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.128789 (E_RNA) where: Base-Base interactions energy: -20.494 where: short stacking energy: -20.494 Base-Backbone interact. energy: -0.056 local terms energy: -34.578709 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.684 flat angles P-C4'-P energy: -5.800 tors. eta vs tors. theta energy: -5.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -45.989612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.989612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.989612 (E_RNA) where: Base-Base interactions energy: -17.865 where: short stacking energy: -14.283 Base-Backbone interact. energy: -1.270 local terms energy: -26.854267 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -5.911 flat angles C4'-P-C4' energy: -6.089 flat angles P-C4'-P energy: -5.810 tors. eta vs tors. theta energy: -1.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -44.245567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.245567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.245567 (E_RNA) where: Base-Base interactions energy: -19.834 where: short stacking energy: -10.911 Base-Backbone interact. energy: -0.092 local terms energy: -24.319396 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -5.667 flat angles C4'-P-C4' energy: -6.994 flat angles P-C4'-P energy: -5.459 tors. eta vs tors. theta energy: 1.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -41.842384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.842384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.842384 (E_RNA) where: Base-Base interactions energy: -14.913 where: short stacking energy: -13.379 Base-Backbone interact. energy: -0.001 local terms energy: -26.929181 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -7.276 flat angles P-C4'-P energy: -2.726 tors. eta vs tors. theta energy: -3.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -46.067900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.067900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.067900 (E_RNA) where: Base-Base interactions energy: -15.220 where: short stacking energy: -15.220 Base-Backbone interact. energy: -0.013 local terms energy: -30.834771 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -5.358 flat angles P-C4'-P energy: -5.088 tors. eta vs tors. theta energy: -3.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -63.449231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.449231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.449231 (E_RNA) where: Base-Base interactions energy: -26.310 where: short stacking energy: -22.087 Base-Backbone interact. energy: -0.035 local terms energy: -37.103933 where: bonds (distance) C4'-P energy: -8.280 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -8.427 flat angles P-C4'-P energy: -4.297 tors. eta vs tors. theta energy: -8.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -69.758499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.758499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.758499 (E_RNA) where: Base-Base interactions energy: -37.525 where: short stacking energy: -23.953 Base-Backbone interact. energy: 1.036 local terms energy: -33.269267 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.483 flat angles P-C4'-P energy: -3.447 tors. eta vs tors. theta energy: -4.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -66.302112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.302112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.302112 (E_RNA) where: Base-Base interactions energy: -37.038 where: short stacking energy: -18.525 Base-Backbone interact. energy: -0.004 local terms energy: -29.259883 where: bonds (distance) C4'-P energy: -8.904 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -4.262 flat angles P-C4'-P energy: -2.340 tors. eta vs tors. theta energy: -4.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -62.399326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.399326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.399326 (E_RNA) where: Base-Base interactions energy: -31.910 where: short stacking energy: -23.523 Base-Backbone interact. energy: -0.001 local terms energy: -30.488557 where: bonds (distance) C4'-P energy: -7.153 bonds (distance) P-C4' energy: -5.251 flat angles C4'-P-C4' energy: -7.428 flat angles P-C4'-P energy: -3.331 tors. eta vs tors. theta energy: -7.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -51.979293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.979293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.979293 (E_RNA) where: Base-Base interactions energy: -20.824 where: short stacking energy: -14.529 Base-Backbone interact. energy: -0.001 local terms energy: -31.154094 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -7.055 flat angles C4'-P-C4' energy: -8.220 flat angles P-C4'-P energy: -4.465 tors. eta vs tors. theta energy: -4.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -50.274219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.274219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.274219 (E_RNA) where: Base-Base interactions energy: -19.323 where: short stacking energy: -19.323 Base-Backbone interact. energy: -0.000 local terms energy: -30.951487 where: bonds (distance) C4'-P energy: -4.500 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -6.454 flat angles P-C4'-P energy: -5.917 tors. eta vs tors. theta energy: -5.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -49.708529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.708529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.708529 (E_RNA) where: Base-Base interactions energy: -18.674 where: short stacking energy: -18.674 Base-Backbone interact. energy: -0.000 local terms energy: -31.034745 where: bonds (distance) C4'-P energy: -7.080 bonds (distance) P-C4' energy: -4.471 flat angles C4'-P-C4' energy: -7.831 flat angles P-C4'-P energy: -6.172 tors. eta vs tors. theta energy: -5.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -50.156593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.156593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.156593 (E_RNA) where: Base-Base interactions energy: -19.636 where: short stacking energy: -11.469 Base-Backbone interact. energy: -0.001 local terms energy: -30.519457 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -3.923 flat angles P-C4'-P energy: -5.186 tors. eta vs tors. theta energy: -4.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -44.559272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.559272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.559272 (E_RNA) where: Base-Base interactions energy: -13.727 where: short stacking energy: -13.149 Base-Backbone interact. energy: -0.064 local terms energy: -30.768608 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -7.838 flat angles P-C4'-P energy: -2.367 tors. eta vs tors. theta energy: -4.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -39.913430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.913430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.913430 (E_RNA) where: Base-Base interactions energy: -16.609 where: short stacking energy: -7.929 Base-Backbone interact. energy: -0.298 local terms energy: -23.006585 where: bonds (distance) C4'-P energy: -6.255 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -6.216 flat angles P-C4'-P energy: -4.952 tors. eta vs tors. theta energy: 2.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -56.932400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.932400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.932400 (E_RNA) where: Base-Base interactions energy: -22.906 where: short stacking energy: -20.960 Base-Backbone interact. energy: -1.226 local terms energy: -32.800352 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -7.353 flat angles P-C4'-P energy: -4.568 tors. eta vs tors. theta energy: -4.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -70.036642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.036642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.036642 (E_RNA) where: Base-Base interactions energy: -37.838 where: short stacking energy: -22.595 Base-Backbone interact. energy: -0.023 local terms energy: -32.175030 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -6.413 flat angles P-C4'-P energy: -5.282 tors. eta vs tors. theta energy: -5.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -52.265907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.265907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.265907 (E_RNA) where: Base-Base interactions energy: -20.058 where: short stacking energy: -19.489 Base-Backbone interact. energy: -0.022 local terms energy: -32.186378 where: bonds (distance) C4'-P energy: -6.372 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.221 flat angles P-C4'-P energy: -5.547 tors. eta vs tors. theta energy: -3.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -60.291853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.291853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.291853 (E_RNA) where: Base-Base interactions energy: -40.933 where: short stacking energy: -10.827 Base-Backbone interact. energy: -0.201 local terms energy: -19.156941 where: bonds (distance) C4'-P energy: -2.777 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -6.757 flat angles P-C4'-P energy: -2.133 tors. eta vs tors. theta energy: -0.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -54.506114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.506114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.506114 (E_RNA) where: Base-Base interactions energy: -22.252 where: short stacking energy: -18.384 Base-Backbone interact. energy: -0.014 local terms energy: -32.239681 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.915 flat angles P-C4'-P energy: -6.258 tors. eta vs tors. theta energy: -0.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -48.977111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.977111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.977111 (E_RNA) where: Base-Base interactions energy: -19.292 where: short stacking energy: -19.292 Base-Backbone interact. energy: -0.003 local terms energy: -29.682420 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -8.576 flat angles C4'-P-C4' energy: -7.824 flat angles P-C4'-P energy: -4.057 tors. eta vs tors. theta energy: -3.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -50.453794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.453794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.453794 (E_RNA) where: Base-Base interactions energy: -20.893 where: short stacking energy: -20.893 Base-Backbone interact. energy: -0.084 local terms energy: -29.476479 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -6.078 flat angles P-C4'-P energy: -3.057 tors. eta vs tors. theta energy: -3.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -45.145462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.145462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.145462 (E_RNA) where: Base-Base interactions energy: -15.927 where: short stacking energy: -15.927 Base-Backbone interact. energy: 0.351 local terms energy: -29.569829 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -5.212 flat angles P-C4'-P energy: -4.256 tors. eta vs tors. theta energy: -5.522 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: 1 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -43.312479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.312479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.312479 (E_RNA) where: Base-Base interactions energy: -15.769 where: short stacking energy: -15.769 Base-Backbone interact. energy: -0.130 local terms energy: -27.413559 where: bonds (distance) C4'-P energy: -8.148 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -6.968 flat angles P-C4'-P energy: -3.501 tors. eta vs tors. theta energy: -1.200 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: 6 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -42.864680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.864680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.864680 (E_RNA) where: Base-Base interactions energy: -14.966 where: short stacking energy: -14.966 Base-Backbone interact. energy: 0.927 local terms energy: -28.826252 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -6.979 flat angles P-C4'-P energy: -5.698 tors. eta vs tors. theta energy: -3.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -69.721113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.721113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.721113 (E_RNA) where: Base-Base interactions energy: -35.798 where: short stacking energy: -20.854 Base-Backbone interact. energy: -0.030 local terms energy: -33.892933 where: bonds (distance) C4'-P energy: -9.144 bonds (distance) P-C4' energy: -7.917 flat angles C4'-P-C4' energy: -6.503 flat angles P-C4'-P energy: -5.447 tors. eta vs tors. theta energy: -4.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -61.129663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.129663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.129663 (E_RNA) where: Base-Base interactions energy: -25.838 where: short stacking energy: -25.838 Base-Backbone interact. energy: -0.010 local terms energy: -35.281486 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -6.773 flat angles C4'-P-C4' energy: -8.542 flat angles P-C4'-P energy: -7.364 tors. eta vs tors. theta energy: -4.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -64.167275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.167275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.167275 (E_RNA) where: Base-Base interactions energy: -34.317 where: short stacking energy: -16.242 Base-Backbone interact. energy: -0.145 local terms energy: -29.705119 where: bonds (distance) C4'-P energy: -6.607 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -2.905 flat angles P-C4'-P energy: -6.725 tors. eta vs tors. theta energy: -4.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -54.255439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.255439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.255439 (E_RNA) where: Base-Base interactions energy: -20.407 where: short stacking energy: -20.407 Base-Backbone interact. energy: -0.011 local terms energy: -33.836914 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -8.643 flat angles P-C4'-P energy: -3.686 tors. eta vs tors. theta energy: -5.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -61.017757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.017757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.017757 (E_RNA) where: Base-Base interactions energy: -27.983 where: short stacking energy: -25.982 Base-Backbone interact. energy: -0.101 local terms energy: -32.933531 where: bonds (distance) C4'-P energy: -8.056 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -5.662 tors. eta vs tors. theta energy: -5.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -51.052782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.052782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.052782 (E_RNA) where: Base-Base interactions energy: -21.976 where: short stacking energy: -11.166 Base-Backbone interact. energy: -0.031 local terms energy: -29.045285 where: bonds (distance) C4'-P energy: -5.000 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -8.650 flat angles P-C4'-P energy: -4.517 tors. eta vs tors. theta energy: -3.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -50.536719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.536719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.536719 (E_RNA) where: Base-Base interactions energy: -17.031 where: short stacking energy: -12.251 Base-Backbone interact. energy: -0.167 local terms energy: -33.338758 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -7.274 flat angles P-C4'-P energy: -4.516 tors. eta vs tors. theta energy: -7.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -43.974026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.974026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.974026 (E_RNA) where: Base-Base interactions energy: -16.021 where: short stacking energy: -16.021 Base-Backbone interact. energy: -0.048 local terms energy: -27.905023 where: bonds (distance) C4'-P energy: -5.129 bonds (distance) P-C4' energy: -5.955 flat angles C4'-P-C4' energy: -5.920 flat angles P-C4'-P energy: -5.967 tors. eta vs tors. theta energy: -4.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -45.584925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.584925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.584925 (E_RNA) where: Base-Base interactions energy: -16.677 where: short stacking energy: -11.347 Base-Backbone interact. energy: -0.000 local terms energy: -28.907531 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -7.327 flat angles C4'-P-C4' energy: -4.745 flat angles P-C4'-P energy: -3.324 tors. eta vs tors. theta energy: -5.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -50.298866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.298866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.298866 (E_RNA) where: Base-Base interactions energy: -25.266 where: short stacking energy: -16.851 Base-Backbone interact. energy: -0.137 local terms energy: -24.895622 where: bonds (distance) C4'-P energy: -7.124 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -4.899 flat angles P-C4'-P energy: -4.953 tors. eta vs tors. theta energy: -2.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -77.436391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.436391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.436391 (E_RNA) where: Base-Base interactions energy: -47.564 where: short stacking energy: -20.925 Base-Backbone interact. energy: -0.040 local terms energy: -29.832102 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -5.071 flat angles P-C4'-P energy: -5.760 tors. eta vs tors. theta energy: -3.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -62.495305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.495305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.495305 (E_RNA) where: Base-Base interactions energy: -28.784 where: short stacking energy: -28.784 Base-Backbone interact. energy: -0.000 local terms energy: -33.710971 where: bonds (distance) C4'-P energy: -7.298 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -7.556 flat angles P-C4'-P energy: -4.513 tors. eta vs tors. theta energy: -6.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -59.108541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.108541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.108541 (E_RNA) where: Base-Base interactions energy: -23.717 where: short stacking energy: -23.717 Base-Backbone interact. energy: -0.088 local terms energy: -35.303265 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -8.048 flat angles C4'-P-C4' energy: -8.498 flat angles P-C4'-P energy: -5.357 tors. eta vs tors. theta energy: -6.346 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: 163 Temperature: 1.050000 Total energy: -58.928890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.928890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.928890 (E_RNA) where: Base-Base interactions energy: -22.222 where: short stacking energy: -22.222 Base-Backbone interact. energy: -0.067 local terms energy: -36.639997 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -8.256 flat angles C4'-P-C4' energy: -8.987 flat angles P-C4'-P energy: -6.482 tors. eta vs tors. theta energy: -6.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -57.076419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.076419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.076419 (E_RNA) where: Base-Base interactions energy: -25.370 where: short stacking energy: -18.726 Base-Backbone interact. energy: -0.471 local terms energy: -31.236233 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -6.456 flat angles C4'-P-C4' energy: -8.795 flat angles P-C4'-P energy: -7.076 tors. eta vs tors. theta energy: -3.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -47.931107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.931107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.931107 (E_RNA) where: Base-Base interactions energy: -15.549 where: short stacking energy: -15.193 Base-Backbone interact. energy: -0.008 local terms energy: -32.373412 where: bonds (distance) C4'-P energy: -6.573 bonds (distance) P-C4' energy: -9.098 flat angles C4'-P-C4' energy: -8.274 flat angles P-C4'-P energy: -5.421 tors. eta vs tors. theta energy: -3.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -41.106541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.106541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.106541 (E_RNA) where: Base-Base interactions energy: -14.005 where: short stacking energy: -14.005 Base-Backbone interact. energy: -0.042 local terms energy: -27.059042 where: bonds (distance) C4'-P energy: -6.604 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -4.415 flat angles P-C4'-P energy: -5.747 tors. eta vs tors. theta energy: -1.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -49.164221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.164221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.164221 (E_RNA) where: Base-Base interactions energy: -15.164 where: short stacking energy: -11.744 Base-Backbone interact. energy: -0.006 local terms energy: -33.994949 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -8.844 flat angles P-C4'-P energy: -6.497 tors. eta vs tors. theta energy: -3.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -45.004552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.004552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.004552 (E_RNA) where: Base-Base interactions energy: -20.324 where: short stacking energy: -4.859 Base-Backbone interact. energy: -0.101 local terms energy: -24.579018 where: bonds (distance) C4'-P energy: -5.067 bonds (distance) P-C4' energy: -7.739 flat angles C4'-P-C4' energy: -7.347 flat angles P-C4'-P energy: -7.145 tors. eta vs tors. theta energy: 2.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -42.702054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.702054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.702054 (E_RNA) where: Base-Base interactions energy: -20.021 where: short stacking energy: -20.021 Base-Backbone interact. energy: -0.119 local terms energy: -22.561892 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: -0.899 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: 1, replica: 9 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -89.209602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.209602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.209602 (E_RNA) where: Base-Base interactions energy: -50.651 where: short stacking energy: -31.641 Base-Backbone interact. energy: -0.002 local terms energy: -38.556790 where: bonds (distance) C4'-P energy: -6.503 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -9.016 flat angles P-C4'-P energy: -7.220 tors. eta vs tors. theta energy: -7.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -64.204767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.204767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.204767 (E_RNA) where: Base-Base interactions energy: -30.368 where: short stacking energy: -30.368 Base-Backbone interact. energy: -0.000 local terms energy: -33.836492 where: bonds (distance) C4'-P energy: -6.343 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -6.864 flat angles P-C4'-P energy: -4.577 tors. eta vs tors. theta energy: -7.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -67.952444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.952444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.952444 (E_RNA) where: Base-Base interactions energy: -28.821 where: short stacking energy: -28.821 Base-Backbone interact. energy: -0.006 local terms energy: -39.125550 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -7.461 flat angles P-C4'-P energy: -5.550 tors. eta vs tors. theta energy: -9.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -58.641984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.641984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.641984 (E_RNA) where: Base-Base interactions energy: -23.317 where: short stacking energy: -19.952 Base-Backbone interact. energy: -0.000 local terms energy: -35.324503 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -7.535 flat angles P-C4'-P energy: -3.037 tors. eta vs tors. theta energy: -7.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -54.628783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.628783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.628783 (E_RNA) where: Base-Base interactions energy: -20.364 where: short stacking energy: -19.683 Base-Backbone interact. energy: -0.083 local terms energy: -34.181347 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -6.613 flat angles P-C4'-P energy: -5.699 tors. eta vs tors. theta energy: -6.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -44.892016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.892016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.892016 (E_RNA) where: Base-Base interactions energy: -13.601 where: short stacking energy: -9.156 Base-Backbone interact. energy: -0.109 local terms energy: -31.182149 where: bonds (distance) C4'-P energy: -6.549 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -6.934 flat angles P-C4'-P energy: -6.900 tors. eta vs tors. theta energy: -3.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -49.211888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.211888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.211888 (E_RNA) where: Base-Base interactions energy: -17.866 where: short stacking energy: -17.866 Base-Backbone interact. energy: -0.072 local terms energy: -31.273662 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -8.050 flat angles P-C4'-P energy: -5.411 tors. eta vs tors. theta energy: -3.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -44.866624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.866624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.866624 (E_RNA) where: Base-Base interactions energy: -17.075 where: short stacking energy: -17.075 Base-Backbone interact. energy: -0.001 local terms energy: -27.790091 where: bonds (distance) C4'-P energy: -2.981 bonds (distance) P-C4' energy: -6.380 flat angles C4'-P-C4' energy: -8.741 flat angles P-C4'-P energy: -6.020 tors. eta vs tors. theta energy: -3.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -43.489248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.489248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.489248 (E_RNA) where: Base-Base interactions energy: -22.313 where: short stacking energy: -22.313 Base-Backbone interact. energy: -0.184 local terms energy: -20.991330 where: bonds (distance) C4'-P energy: -7.969 bonds (distance) P-C4' energy: -1.860 flat angles C4'-P-C4' energy: -4.656 flat angles P-C4'-P energy: -4.246 tors. eta vs tors. theta energy: -2.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -40.000123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.000123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.000123 (E_RNA) where: Base-Base interactions energy: -14.965 where: short stacking energy: -14.965 Base-Backbone interact. energy: -0.002 local terms energy: -25.033579 where: bonds (distance) C4'-P energy: -7.323 bonds (distance) P-C4' energy: -6.796 flat angles C4'-P-C4' energy: -7.098 flat angles P-C4'-P energy: -3.235 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: 9 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -86.106719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.106719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.106719 (E_RNA) where: Base-Base interactions energy: -47.029 where: short stacking energy: -29.495 Base-Backbone interact. energy: -0.004 local terms energy: -39.073673 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.827 flat angles P-C4'-P energy: -7.244 tors. eta vs tors. theta energy: -7.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -64.701614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.701614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.701614 (E_RNA) where: Base-Base interactions energy: -27.520 where: short stacking energy: -27.520 Base-Backbone interact. energy: -0.000 local terms energy: -37.181331 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -7.057 flat angles C4'-P-C4' energy: -9.165 flat angles P-C4'-P energy: -5.190 tors. eta vs tors. theta energy: -7.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -57.952628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.952628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.952628 (E_RNA) where: Base-Base interactions energy: -20.764 where: short stacking energy: -20.764 Base-Backbone interact. energy: -0.000 local terms energy: -37.188547 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.816 flat angles P-C4'-P energy: -5.589 tors. eta vs tors. theta energy: -6.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -66.264866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.264866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.264866 (E_RNA) where: Base-Base interactions energy: -35.714 where: short stacking energy: -20.363 Base-Backbone interact. energy: -0.712 local terms energy: -29.839098 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -6.381 flat angles P-C4'-P energy: -4.470 tors. eta vs tors. theta energy: -4.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -53.261070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.261070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.261070 (E_RNA) where: Base-Base interactions energy: -22.160 where: short stacking energy: -16.201 Base-Backbone interact. energy: -0.952 local terms energy: -30.148589 where: bonds (distance) C4'-P energy: -7.074 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.307 flat angles P-C4'-P energy: -4.318 tors. eta vs tors. theta energy: -2.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -50.101012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.101012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.101012 (E_RNA) where: Base-Base interactions energy: -21.136 where: short stacking energy: -21.136 Base-Backbone interact. energy: -0.000 local terms energy: -28.964676 where: bonds (distance) C4'-P energy: -5.920 bonds (distance) P-C4' energy: -7.466 flat angles C4'-P-C4' energy: -7.901 flat angles P-C4'-P energy: -2.419 tors. eta vs tors. theta energy: -5.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -48.494306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.494306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.494306 (E_RNA) where: Base-Base interactions energy: -21.275 where: short stacking energy: -21.275 Base-Backbone interact. energy: -0.000 local terms energy: -27.218807 where: bonds (distance) C4'-P energy: -5.948 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -4.148 flat angles P-C4'-P energy: -2.234 tors. eta vs tors. theta energy: -6.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -38.572506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.572506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.572506 (E_RNA) where: Base-Base interactions energy: -13.275 where: short stacking energy: -13.275 Base-Backbone interact. energy: -0.282 local terms energy: -25.016158 where: bonds (distance) C4'-P energy: -4.930 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -5.909 flat angles P-C4'-P energy: -3.493 tors. eta vs tors. theta energy: -2.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -43.473912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.473912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.473912 (E_RNA) where: Base-Base interactions energy: -15.788 where: short stacking energy: -15.788 Base-Backbone interact. energy: -0.014 local terms energy: -27.671461 where: bonds (distance) C4'-P energy: -5.538 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -7.725 flat angles P-C4'-P energy: -3.132 tors. eta vs tors. theta energy: -5.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -54.939778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.939778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.939778 (E_RNA) where: Base-Base interactions energy: -21.178 where: short stacking energy: -19.428 Base-Backbone interact. energy: -0.020 local terms energy: -33.741420 where: bonds (distance) C4'-P energy: -4.322 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.366 flat angles P-C4'-P energy: -7.069 tors. eta vs tors. theta energy: -6.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -74.735266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.735266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.735266 (E_RNA) where: Base-Base interactions energy: -39.851 where: short stacking energy: -25.312 Base-Backbone interact. energy: 0.100 local terms energy: -34.984194 where: bonds (distance) C4'-P energy: -8.043 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.849 flat angles P-C4'-P energy: -4.578 tors. eta vs tors. theta energy: -4.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -63.542168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.542168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.542168 (E_RNA) where: Base-Base interactions energy: -31.355 where: short stacking energy: -27.286 Base-Backbone interact. energy: -0.704 local terms energy: -31.482929 where: bonds (distance) C4'-P energy: -7.514 bonds (distance) P-C4' energy: -7.913 flat angles C4'-P-C4' energy: -8.281 flat angles P-C4'-P energy: -3.174 tors. eta vs tors. theta energy: -4.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -69.416983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.416983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.416983 (E_RNA) where: Base-Base interactions energy: -39.386 where: short stacking energy: -28.679 Base-Backbone interact. energy: -0.012 local terms energy: -30.019014 where: bonds (distance) C4'-P energy: -6.627 bonds (distance) P-C4' energy: -6.885 flat angles C4'-P-C4' energy: -7.259 flat angles P-C4'-P energy: -3.375 tors. eta vs tors. theta energy: -5.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -51.626763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.626763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.626763 (E_RNA) where: Base-Base interactions energy: -22.559 where: short stacking energy: -22.559 Base-Backbone interact. energy: -0.212 local terms energy: -28.855859 where: bonds (distance) C4'-P energy: -3.631 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -5.980 flat angles P-C4'-P energy: -6.028 tors. eta vs tors. theta energy: -4.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -50.110804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.110804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.110804 (E_RNA) where: Base-Base interactions energy: -26.069 where: short stacking energy: -22.066 Base-Backbone interact. energy: 1.150 local terms energy: -25.192484 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -8.566 flat angles P-C4'-P energy: -4.424 tors. eta vs tors. theta energy: -0.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -48.188000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.188000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.188000 (E_RNA) where: Base-Base interactions energy: -14.785 where: short stacking energy: -14.785 Base-Backbone interact. energy: -0.059 local terms energy: -33.343895 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -5.016 flat angles C4'-P-C4' energy: -8.344 flat angles P-C4'-P energy: -6.196 tors. eta vs tors. theta energy: -5.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -49.868890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.868890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.868890 (E_RNA) where: Base-Base interactions energy: -23.605 where: short stacking energy: -18.622 Base-Backbone interact. energy: -0.062 local terms energy: -26.202249 where: bonds (distance) C4'-P energy: -7.729 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -6.979 flat angles P-C4'-P energy: -4.737 tors. eta vs tors. theta energy: -0.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -46.502418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.502418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.502418 (E_RNA) where: Base-Base interactions energy: -19.278 where: short stacking energy: -7.022 Base-Backbone interact. energy: -0.404 local terms energy: -26.820664 where: bonds (distance) C4'-P energy: -7.977 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -6.308 flat angles P-C4'-P energy: -3.623 tors. eta vs tors. theta energy: -0.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -45.833645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.833645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.833645 (E_RNA) where: Base-Base interactions energy: -14.253 where: short stacking energy: -14.253 Base-Backbone interact. energy: -0.000 local terms energy: -31.580818 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.206 flat angles P-C4'-P energy: -2.856 tors. eta vs tors. theta energy: -4.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -41.393689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.393689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.393689 (E_RNA) where: Base-Base interactions energy: -14.214 where: short stacking energy: -13.406 Base-Backbone interact. energy: -0.033 local terms energy: -27.147143 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -6.567 flat angles P-C4'-P energy: -6.675 tors. eta vs tors. theta energy: -0.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -71.419201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.419201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.419201 (E_RNA) where: Base-Base interactions energy: -35.693 where: short stacking energy: -22.513 Base-Backbone interact. energy: -0.707 local terms energy: -35.019130 where: bonds (distance) C4'-P energy: -6.681 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -8.126 flat angles P-C4'-P energy: -4.487 tors. eta vs tors. theta energy: -7.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -62.041258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.041258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.041258 (E_RNA) where: Base-Base interactions energy: -28.923 where: short stacking energy: -28.923 Base-Backbone interact. energy: -0.038 local terms energy: -33.080509 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -6.942 flat angles C4'-P-C4' energy: -8.723 flat angles P-C4'-P energy: -3.099 tors. eta vs tors. theta energy: -6.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -68.832312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.832312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.832312 (E_RNA) where: Base-Base interactions energy: -31.879 where: short stacking energy: -23.100 Base-Backbone interact. energy: -0.001 local terms energy: -36.952352 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -5.666 flat angles P-C4'-P energy: -6.896 tors. eta vs tors. theta energy: -7.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -67.558180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.558180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.558180 (E_RNA) where: Base-Base interactions energy: -36.243 where: short stacking energy: -21.238 Base-Backbone interact. energy: -0.108 local terms energy: -31.207074 where: bonds (distance) C4'-P energy: -5.903 bonds (distance) P-C4' energy: -7.459 flat angles C4'-P-C4' energy: -6.450 flat angles P-C4'-P energy: -5.506 tors. eta vs tors. theta energy: -5.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -55.646443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.646443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.646443 (E_RNA) where: Base-Base interactions energy: -27.659 where: short stacking energy: -16.304 Base-Backbone interact. energy: 1.506 local terms energy: -29.493588 where: bonds (distance) C4'-P energy: -4.472 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -7.984 flat angles P-C4'-P energy: -4.493 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: 6, replica: 1 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -50.183674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.183674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.183674 (E_RNA) where: Base-Base interactions energy: -17.063 where: short stacking energy: -17.063 Base-Backbone interact. energy: -0.003 local terms energy: -33.117636 where: bonds (distance) C4'-P energy: -7.144 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -6.470 flat angles P-C4'-P energy: -6.703 tors. eta vs tors. theta energy: -4.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -57.091227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.091227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.091227 (E_RNA) where: Base-Base interactions energy: -24.965 where: short stacking energy: -18.883 Base-Backbone interact. energy: -0.198 local terms energy: -31.928708 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.511 flat angles P-C4'-P energy: -4.512 tors. eta vs tors. theta energy: -5.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -56.086588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.086588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.086588 (E_RNA) where: Base-Base interactions energy: -25.559 where: short stacking energy: -14.330 Base-Backbone interact. energy: -0.000 local terms energy: -30.527955 where: bonds (distance) C4'-P energy: -5.447 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.334 flat angles P-C4'-P energy: -4.987 tors. eta vs tors. theta energy: -5.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -42.705111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.705111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.705111 (E_RNA) where: Base-Base interactions energy: -14.894 where: short stacking energy: -14.894 Base-Backbone interact. energy: -0.001 local terms energy: -27.809536 where: bonds (distance) C4'-P energy: -5.341 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -7.859 flat angles P-C4'-P energy: -4.247 tors. eta vs tors. theta energy: -4.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -43.628749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.628749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.628749 (E_RNA) where: Base-Base interactions energy: -15.961 where: short stacking energy: -13.956 Base-Backbone interact. energy: -0.007 local terms energy: -27.660579 where: bonds (distance) C4'-P energy: -7.099 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -6.830 flat angles P-C4'-P energy: -3.916 tors. eta vs tors. theta energy: -2.039 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: 1, replica: 9 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -66.803906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.803906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.803906 (E_RNA) where: Base-Base interactions energy: -34.693 where: short stacking energy: -21.362 Base-Backbone interact. energy: -0.184 local terms energy: -31.926531 where: bonds (distance) C4'-P energy: -5.614 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -8.024 flat angles P-C4'-P energy: -5.759 tors. eta vs tors. theta energy: -3.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -61.013937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.013937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.013937 (E_RNA) where: Base-Base interactions energy: -31.156 where: short stacking energy: -18.063 Base-Backbone interact. energy: -0.084 local terms energy: -29.773526 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -6.540 flat angles P-C4'-P energy: -5.010 tors. eta vs tors. theta energy: -3.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -73.995119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.995119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.995119 (E_RNA) where: Base-Base interactions energy: -42.679 where: short stacking energy: -19.681 Base-Backbone interact. energy: -0.379 local terms energy: -30.937437 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -6.431 flat angles P-C4'-P energy: -5.663 tors. eta vs tors. theta energy: -3.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -55.421790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.421790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.421790 (E_RNA) where: Base-Base interactions energy: -19.074 where: short stacking energy: -14.663 Base-Backbone interact. energy: -3.122 local terms energy: -33.225128 where: bonds (distance) C4'-P energy: -5.333 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -8.078 flat angles P-C4'-P energy: -5.307 tors. eta vs tors. theta energy: -5.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -55.578018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.578018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.578018 (E_RNA) where: Base-Base interactions energy: -27.302 where: short stacking energy: -24.602 Base-Backbone interact. energy: -0.027 local terms energy: -28.248533 where: bonds (distance) C4'-P energy: -5.584 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -6.718 flat angles P-C4'-P energy: -6.095 tors. eta vs tors. theta energy: -5.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -57.308235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.308235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.308235 (E_RNA) where: Base-Base interactions energy: -22.804 where: short stacking energy: -22.804 Base-Backbone interact. energy: -0.003 local terms energy: -34.501315 where: bonds (distance) C4'-P energy: -5.963 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -7.998 flat angles P-C4'-P energy: -4.550 tors. eta vs tors. theta energy: -6.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -51.716149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.716149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.716149 (E_RNA) where: Base-Base interactions energy: -22.328 where: short stacking energy: -21.013 Base-Backbone interact. energy: -0.027 local terms energy: -29.360578 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -5.450 flat angles C4'-P-C4' energy: -7.843 flat angles P-C4'-P energy: -4.077 tors. eta vs tors. theta energy: -4.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -48.451562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.451562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.451562 (E_RNA) where: Base-Base interactions energy: -23.181 where: short stacking energy: -22.094 Base-Backbone interact. energy: -0.137 local terms energy: -25.133129 where: bonds (distance) C4'-P energy: -6.983 bonds (distance) P-C4' energy: -5.452 flat angles C4'-P-C4' energy: -5.750 flat angles P-C4'-P energy: -3.992 tors. eta vs tors. theta energy: -2.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -45.227685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.227685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.227685 (E_RNA) where: Base-Base interactions energy: -20.122 where: short stacking energy: -16.533 Base-Backbone interact. energy: -0.101 local terms energy: -25.005410 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -7.618 flat angles C4'-P-C4' energy: -6.121 flat angles P-C4'-P energy: -3.585 tors. eta vs tors. theta energy: -1.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -45.195504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.195504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.195504 (E_RNA) where: Base-Base interactions energy: -16.843 where: short stacking energy: -16.843 Base-Backbone interact. energy: -0.026 local terms energy: -28.326553 where: bonds (distance) C4'-P energy: -6.400 bonds (distance) P-C4' energy: -5.178 flat angles C4'-P-C4' energy: -8.429 flat angles P-C4'-P energy: -5.299 tors. eta vs tors. theta energy: -3.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -80.624379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.624379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.624379 (E_RNA) where: Base-Base interactions energy: -46.186 where: short stacking energy: -14.106 Base-Backbone interact. energy: -0.093 local terms energy: -34.345273 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -8.053 flat angles P-C4'-P energy: -5.413 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: 2, replica: 6 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -78.205765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.205765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.205765 (E_RNA) where: Base-Base interactions energy: -48.495 where: short stacking energy: -19.849 Base-Backbone interact. energy: -0.287 local terms energy: -29.423231 where: bonds (distance) C4'-P energy: -6.751 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.694 flat angles P-C4'-P energy: -4.452 tors. eta vs tors. theta energy: -4.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -54.406765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.406765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.406765 (E_RNA) where: Base-Base interactions energy: -23.651 where: short stacking energy: -19.153 Base-Backbone interact. energy: -0.002 local terms energy: -30.753181 where: bonds (distance) C4'-P energy: -3.874 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.457 flat angles P-C4'-P energy: -3.509 tors. eta vs tors. theta energy: -6.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -57.583464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.583464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.583464 (E_RNA) where: Base-Base interactions energy: -23.280 where: short stacking energy: -23.280 Base-Backbone interact. energy: -0.001 local terms energy: -34.302695 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.863 flat angles C4'-P-C4' energy: -6.431 flat angles P-C4'-P energy: -5.094 tors. eta vs tors. theta energy: -6.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -50.914289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.914289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.914289 (E_RNA) where: Base-Base interactions energy: -21.609 where: short stacking energy: -21.609 Base-Backbone interact. energy: -0.048 local terms energy: -29.257426 where: bonds (distance) C4'-P energy: -4.442 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.892 flat angles P-C4'-P energy: -3.030 tors. eta vs tors. theta energy: -5.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -46.284285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.284285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.284285 (E_RNA) where: Base-Base interactions energy: -18.590 where: short stacking energy: -11.511 Base-Backbone interact. energy: 0.210 local terms energy: -27.904393 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -6.298 flat angles P-C4'-P energy: -5.844 tors. eta vs tors. theta energy: 1.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -54.193459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.193459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.193459 (E_RNA) where: Base-Base interactions energy: -22.727 where: short stacking energy: -20.982 Base-Backbone interact. energy: -0.283 local terms energy: -31.183413 where: bonds (distance) C4'-P energy: -7.431 bonds (distance) P-C4' energy: -6.971 flat angles C4'-P-C4' energy: -7.612 flat angles P-C4'-P energy: -4.266 tors. eta vs tors. theta energy: -4.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -41.505436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.505436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.505436 (E_RNA) where: Base-Base interactions energy: -11.909 where: short stacking energy: -11.909 Base-Backbone interact. energy: -0.083 local terms energy: -29.513847 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -6.952 flat angles P-C4'-P energy: -2.849 tors. eta vs tors. theta energy: -3.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -46.460037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.460037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.460037 (E_RNA) where: Base-Base interactions energy: -19.186 where: short stacking energy: -16.475 Base-Backbone interact. energy: -0.021 local terms energy: -27.253309 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -6.729 flat angles P-C4'-P energy: -5.009 tors. eta vs tors. theta energy: -0.773 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: 10, replica: 5 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -38.552648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.552648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.552648 (E_RNA) where: Base-Base interactions energy: -16.130 where: short stacking energy: -14.499 Base-Backbone interact. energy: -0.074 local terms energy: -22.348231 where: bonds (distance) C4'-P energy: -7.493 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -7.738 flat angles P-C4'-P energy: -0.680 tors. eta vs tors. theta energy: -0.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -84.139307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.139307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.139307 (E_RNA) where: Base-Base interactions energy: -49.574 where: short stacking energy: -25.836 Base-Backbone interact. energy: 0.932 local terms energy: -35.497669 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -8.362 flat angles P-C4'-P energy: -5.234 tors. eta vs tors. theta energy: -5.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -80.356138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.356138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.356138 (E_RNA) where: Base-Base interactions energy: -48.668 where: short stacking energy: -22.319 Base-Backbone interact. energy: -0.071 local terms energy: -31.617800 where: bonds (distance) C4'-P energy: -6.558 bonds (distance) P-C4' energy: -8.579 flat angles C4'-P-C4' energy: -6.177 flat angles P-C4'-P energy: -4.748 tors. eta vs tors. theta energy: -5.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -55.609447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.609447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.609447 (E_RNA) where: Base-Base interactions energy: -18.697 where: short stacking energy: -15.994 Base-Backbone interact. energy: -0.308 local terms energy: -36.604393 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -7.843 flat angles P-C4'-P energy: -6.626 tors. eta vs tors. theta energy: -6.636 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: 10 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -62.716959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.716959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.716959 (E_RNA) where: Base-Base interactions energy: -26.792 where: short stacking energy: -26.792 Base-Backbone interact. energy: -0.000 local terms energy: -35.925220 where: bonds (distance) C4'-P energy: -7.447 bonds (distance) P-C4' energy: -8.345 flat angles C4'-P-C4' energy: -5.491 flat angles P-C4'-P energy: -5.953 tors. eta vs tors. theta energy: -8.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -50.763954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.763954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.763954 (E_RNA) where: Base-Base interactions energy: -21.073 where: short stacking energy: -21.073 Base-Backbone interact. energy: -0.017 local terms energy: -29.673911 where: bonds (distance) C4'-P energy: -7.182 bonds (distance) P-C4' energy: -6.998 flat angles C4'-P-C4' energy: -8.444 flat angles P-C4'-P energy: -6.123 tors. eta vs tors. theta energy: -0.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -57.790841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.790841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.790841 (E_RNA) where: Base-Base interactions energy: -29.839 where: short stacking energy: -14.506 Base-Backbone interact. energy: -0.325 local terms energy: -27.627685 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -7.631 flat angles C4'-P-C4' energy: -8.370 flat angles P-C4'-P energy: -2.903 tors. eta vs tors. theta energy: -4.004 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: 4 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -46.584024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.584024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.584024 (E_RNA) where: Base-Base interactions energy: -17.098 where: short stacking energy: -12.372 Base-Backbone interact. energy: -0.002 local terms energy: -29.483392 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -5.235 flat angles P-C4'-P energy: -4.501 tors. eta vs tors. theta energy: -2.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -51.405659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.405659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.405659 (E_RNA) where: Base-Base interactions energy: -19.217 where: short stacking energy: -19.217 Base-Backbone interact. energy: 0.079 local terms energy: -32.267697 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -6.263 flat angles P-C4'-P energy: -4.979 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: 9, replica: 5 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -46.548874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.548874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.548874 (E_RNA) where: Base-Base interactions energy: -18.328 where: short stacking energy: -18.328 Base-Backbone interact. energy: -0.000 local terms energy: -28.220805 where: bonds (distance) C4'-P energy: -7.787 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -9.280 flat angles P-C4'-P energy: -2.648 tors. eta vs tors. theta energy: -2.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -39.832286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.832286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.832286 (E_RNA) where: Base-Base interactions energy: -12.835 where: short stacking energy: -12.835 Base-Backbone interact. energy: -0.077 local terms energy: -26.920438 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -5.960 flat angles P-C4'-P energy: -3.628 tors. eta vs tors. theta energy: 0.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -80.480965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.480965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.480965 (E_RNA) where: Base-Base interactions energy: -45.300 where: short stacking energy: -20.081 Base-Backbone interact. energy: -0.001 local terms energy: -35.179290 where: bonds (distance) C4'-P energy: -5.935 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.558 flat angles P-C4'-P energy: -5.896 tors. eta vs tors. theta energy: -7.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -58.790050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.790050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.790050 (E_RNA) where: Base-Base interactions energy: -25.108 where: short stacking energy: -25.108 Base-Backbone interact. energy: -0.007 local terms energy: -33.674704 where: bonds (distance) C4'-P energy: -5.730 bonds (distance) P-C4' energy: -8.605 flat angles C4'-P-C4' energy: -6.893 flat angles P-C4'-P energy: -5.656 tors. eta vs tors. theta energy: -6.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -73.418902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.418902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.418902 (E_RNA) where: Base-Base interactions energy: -39.545 where: short stacking energy: -25.786 Base-Backbone interact. energy: 1.121 local terms energy: -34.995067 where: bonds (distance) C4'-P energy: -7.319 bonds (distance) P-C4' energy: -7.851 flat angles C4'-P-C4' energy: -8.339 flat angles P-C4'-P energy: -7.429 tors. eta vs tors. theta energy: -4.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -56.809847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.809847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.809847 (E_RNA) where: Base-Base interactions energy: -21.043 where: short stacking energy: -21.043 Base-Backbone interact. energy: -0.163 local terms energy: -35.603546 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.544 flat angles P-C4'-P energy: -7.121 tors. eta vs tors. theta energy: -5.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -52.089294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.089294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.089294 (E_RNA) where: Base-Base interactions energy: -19.102 where: short stacking energy: -19.102 Base-Backbone interact. energy: -0.001 local terms energy: -32.986359 where: bonds (distance) C4'-P energy: -5.948 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -7.010 flat angles P-C4'-P energy: -5.939 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: 6, replica: 4 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -48.141816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.141816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.141816 (E_RNA) where: Base-Base interactions energy: -18.867 where: short stacking energy: -18.867 Base-Backbone interact. energy: -0.124 local terms energy: -29.150870 where: bonds (distance) C4'-P energy: -7.017 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -4.102 flat angles P-C4'-P energy: -6.676 tors. eta vs tors. theta energy: -1.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -45.277070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.277070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.277070 (E_RNA) where: Base-Base interactions energy: -21.307 where: short stacking energy: -18.521 Base-Backbone interact. energy: -0.011 local terms energy: -23.959137 where: bonds (distance) C4'-P energy: -7.730 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -6.305 flat angles P-C4'-P energy: -0.803 tors. eta vs tors. theta energy: -2.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -47.506576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.506576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.506576 (E_RNA) where: Base-Base interactions energy: -19.824 where: short stacking energy: -19.824 Base-Backbone interact. energy: -0.007 local terms energy: -27.675659 where: bonds (distance) C4'-P energy: -3.957 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -6.914 flat angles P-C4'-P energy: -6.179 tors. eta vs tors. theta energy: -2.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -42.395167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.395167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.395167 (E_RNA) where: Base-Base interactions energy: -15.837 where: short stacking energy: -15.837 Base-Backbone interact. energy: -0.017 local terms energy: -26.541964 where: bonds (distance) C4'-P energy: -3.315 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -7.818 flat angles P-C4'-P energy: -1.601 tors. eta vs tors. theta energy: -5.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -40.458006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.458006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.458006 (E_RNA) where: Base-Base interactions energy: -10.524 where: short stacking energy: -10.524 Base-Backbone interact. energy: -0.023 local terms energy: -29.911070 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.193 flat angles P-C4'-P energy: -6.361 tors. eta vs tors. theta energy: -0.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -84.295186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.295186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.295186 (E_RNA) where: Base-Base interactions energy: -49.314 where: short stacking energy: -35.380 Base-Backbone interact. energy: -0.002 local terms energy: -34.979431 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -8.037 flat angles P-C4'-P energy: -4.309 tors. eta vs tors. theta energy: -6.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -70.058143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.058143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.058143 (E_RNA) where: Base-Base interactions energy: -35.670 where: short stacking energy: -24.644 Base-Backbone interact. energy: -0.001 local terms energy: -34.387247 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -8.100 flat angles C4'-P-C4' energy: -8.234 flat angles P-C4'-P energy: -5.826 tors. eta vs tors. theta energy: -5.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -60.867592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.867592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.867592 (E_RNA) where: Base-Base interactions energy: -25.516 where: short stacking energy: -25.516 Base-Backbone interact. energy: -0.000 local terms energy: -35.351926 where: bonds (distance) C4'-P energy: -7.778 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -6.948 flat angles P-C4'-P energy: -6.074 tors. eta vs tors. theta energy: -7.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -61.285258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.285258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.285258 (E_RNA) where: Base-Base interactions energy: -25.375 where: short stacking energy: -25.375 Base-Backbone interact. energy: -0.039 local terms energy: -35.871624 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.659 flat angles P-C4'-P energy: -5.643 tors. eta vs tors. theta energy: -6.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -55.079714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.079714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.079714 (E_RNA) where: Base-Base interactions energy: -23.961 where: short stacking energy: -22.015 Base-Backbone interact. energy: -0.000 local terms energy: -31.118909 where: bonds (distance) C4'-P energy: -6.292 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -6.140 flat angles P-C4'-P energy: -4.565 tors. eta vs tors. theta energy: -4.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -48.204409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.204409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.204409 (E_RNA) where: Base-Base interactions energy: -17.568 where: short stacking energy: -17.568 Base-Backbone interact. energy: -0.000 local terms energy: -30.636617 where: bonds (distance) C4'-P energy: -5.200 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -8.469 flat angles P-C4'-P energy: -5.800 tors. eta vs tors. theta energy: -3.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -45.532708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.532708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.532708 (E_RNA) where: Base-Base interactions energy: -21.355 where: short stacking energy: -20.310 Base-Backbone interact. energy: -0.001 local terms energy: -24.176429 where: bonds (distance) C4'-P energy: -6.069 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -6.439 flat angles P-C4'-P energy: 0.667 tors. eta vs tors. theta energy: -3.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -53.399931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.399931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.399931 (E_RNA) where: Base-Base interactions energy: -27.146 where: short stacking energy: -14.616 Base-Backbone interact. energy: -0.006 local terms energy: -26.247375 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -1.912 flat angles P-C4'-P energy: -5.702 tors. eta vs tors. theta energy: -2.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -40.298726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.298726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.298726 (E_RNA) where: Base-Base interactions energy: -14.093 where: short stacking energy: -13.722 Base-Backbone interact. energy: -0.002 local terms energy: -26.204119 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -7.428 flat angles P-C4'-P energy: -4.045 tors. eta vs tors. theta energy: -3.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -44.164834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.164834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.164834 (E_RNA) where: Base-Base interactions energy: -20.934 where: short stacking energy: -20.934 Base-Backbone interact. energy: -0.023 local terms energy: -23.208010 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -8.267 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -3.437 tors. eta vs tors. theta energy: -1.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -79.670354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.670354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.670354 (E_RNA) where: Base-Base interactions energy: -46.134 where: short stacking energy: -29.117 Base-Backbone interact. energy: -0.033 local terms energy: -33.503767 where: bonds (distance) C4'-P energy: -5.865 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.664 flat angles P-C4'-P energy: -6.030 tors. eta vs tors. theta energy: -5.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -70.352408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.352408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.352408 (E_RNA) where: Base-Base interactions energy: -38.491 where: short stacking energy: -21.569 Base-Backbone interact. energy: -0.015 local terms energy: -31.846844 where: bonds (distance) C4'-P energy: -6.834 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.852 flat angles P-C4'-P energy: -3.514 tors. eta vs tors. theta energy: -4.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -64.302005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.302005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.302005 (E_RNA) where: Base-Base interactions energy: -26.557 where: short stacking energy: -26.557 Base-Backbone interact. energy: -0.000 local terms energy: -37.744923 where: bonds (distance) C4'-P energy: -7.783 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -8.188 flat angles P-C4'-P energy: -4.357 tors. eta vs tors. theta energy: -8.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -52.377356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.377356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.377356 (E_RNA) where: Base-Base interactions energy: -20.333 where: short stacking energy: -20.333 Base-Backbone interact. energy: -0.001 local terms energy: -32.044124 where: bonds (distance) C4'-P energy: -7.390 bonds (distance) P-C4' energy: -6.921 flat angles C4'-P-C4' energy: -8.335 flat angles P-C4'-P energy: -5.935 tors. eta vs tors. theta energy: -3.463 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: 9 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -58.030699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.030699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.030699 (E_RNA) where: Base-Base interactions energy: -27.884 where: short stacking energy: -23.625 Base-Backbone interact. energy: 2.225 local terms energy: -32.372342 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.846 flat angles C4'-P-C4' energy: -7.711 flat angles P-C4'-P energy: -5.351 tors. eta vs tors. theta energy: -6.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -57.260132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.260132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.260132 (E_RNA) where: Base-Base interactions energy: -31.942 where: short stacking energy: -16.111 Base-Backbone interact. energy: -0.008 local terms energy: -25.310681 where: bonds (distance) C4'-P energy: -7.332 bonds (distance) P-C4' energy: -8.514 flat angles C4'-P-C4' energy: -4.614 flat angles P-C4'-P energy: -4.124 tors. eta vs tors. theta energy: -0.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -45.503202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.503202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.503202 (E_RNA) where: Base-Base interactions energy: -16.105 where: short stacking energy: -16.105 Base-Backbone interact. energy: -0.000 local terms energy: -29.397543 where: bonds (distance) C4'-P energy: -6.549 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -7.101 flat angles P-C4'-P energy: -5.052 tors. eta vs tors. theta energy: -2.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -44.242816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.242816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.242816 (E_RNA) where: Base-Base interactions energy: -17.406 where: short stacking energy: -17.406 Base-Backbone interact. energy: -0.006 local terms energy: -26.830853 where: bonds (distance) C4'-P energy: -5.170 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -7.456 flat angles P-C4'-P energy: -5.832 tors. eta vs tors. theta energy: -0.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -40.487371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.487371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.487371 (E_RNA) where: Base-Base interactions energy: -18.950 where: short stacking energy: -18.950 Base-Backbone interact. energy: -0.020 local terms energy: -21.517156 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -3.650 flat angles C4'-P-C4' energy: -3.825 flat angles P-C4'-P energy: -6.034 tors. eta vs tors. theta energy: -0.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -42.874876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.874876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.874876 (E_RNA) where: Base-Base interactions energy: -17.677 where: short stacking energy: -17.677 Base-Backbone interact. energy: -0.001 local terms energy: -25.196302 where: bonds (distance) C4'-P energy: -4.711 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -7.154 flat angles P-C4'-P energy: -3.119 tors. eta vs tors. theta energy: -3.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -62.384701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.384701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.384701 (E_RNA) where: Base-Base interactions energy: -26.130 where: short stacking energy: -26.130 Base-Backbone interact. energy: -0.004 local terms energy: -36.251085 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.495 flat angles P-C4'-P energy: -6.264 tors. eta vs tors. theta energy: -3.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -72.649090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.649090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.649090 (E_RNA) where: Base-Base interactions energy: -41.354 where: short stacking energy: -22.090 Base-Backbone interact. energy: -0.009 local terms energy: -31.286820 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -3.910 flat angles P-C4'-P energy: -6.062 tors. eta vs tors. theta energy: -4.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -65.859198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.859198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.859198 (E_RNA) where: Base-Base interactions energy: -28.026 where: short stacking energy: -28.026 Base-Backbone interact. energy: -0.000 local terms energy: -37.832641 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -6.958 flat angles P-C4'-P energy: -6.603 tors. eta vs tors. theta energy: -8.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -70.641488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.641488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.641488 (E_RNA) where: Base-Base interactions energy: -44.803 where: short stacking energy: -30.498 Base-Backbone interact. energy: 0.017 local terms energy: -25.855441 where: bonds (distance) C4'-P energy: -2.943 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -5.597 flat angles P-C4'-P energy: -4.335 tors. eta vs tors. theta energy: -4.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -56.160931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.160931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.160931 (E_RNA) where: Base-Base interactions energy: -29.904 where: short stacking energy: -10.072 Base-Backbone interact. energy: 1.271 local terms energy: -27.527733 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -7.007 flat angles P-C4'-P energy: -3.416 tors. eta vs tors. theta energy: -1.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -51.438702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.438702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.438702 (E_RNA) where: Base-Base interactions energy: -21.218 where: short stacking energy: -20.085 Base-Backbone interact. energy: -0.000 local terms energy: -30.220340 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -7.338 flat angles P-C4'-P energy: -4.636 tors. eta vs tors. theta energy: -3.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -51.224201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.224201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.224201 (E_RNA) where: Base-Base interactions energy: -25.642 where: short stacking energy: -16.828 Base-Backbone interact. energy: -0.036 local terms energy: -25.546445 where: bonds (distance) C4'-P energy: -3.287 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -8.139 flat angles P-C4'-P energy: -4.754 tors. eta vs tors. theta energy: -3.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -43.842250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.842250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.842250 (E_RNA) where: Base-Base interactions energy: -18.444 where: short stacking energy: -18.444 Base-Backbone interact. energy: -0.167 local terms energy: -25.230754 where: bonds (distance) C4'-P energy: -1.937 bonds (distance) P-C4' energy: -7.371 flat angles C4'-P-C4' energy: -7.335 flat angles P-C4'-P energy: -4.124 tors. eta vs tors. theta energy: -4.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -45.757602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.757602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.757602 (E_RNA) where: Base-Base interactions energy: -16.390 where: short stacking energy: -12.164 Base-Backbone interact. energy: -0.066 local terms energy: -29.301373 where: bonds (distance) C4'-P energy: -5.307 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -7.495 flat angles P-C4'-P energy: -5.886 tors. eta vs tors. theta energy: -3.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -44.563696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.563696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.563696 (E_RNA) where: Base-Base interactions energy: -16.199 where: short stacking energy: -16.199 Base-Backbone interact. energy: -0.044 local terms energy: -28.320604 where: bonds (distance) C4'-P energy: -5.211 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.364 flat angles P-C4'-P energy: -4.925 tors. eta vs tors. theta energy: -2.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -80.088258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.088258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.088258 (E_RNA) where: Base-Base interactions energy: -42.622 where: short stacking energy: -27.912 Base-Backbone interact. energy: -0.001 local terms energy: -37.464831 where: bonds (distance) C4'-P energy: -6.516 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -9.180 flat angles P-C4'-P energy: -6.652 tors. eta vs tors. theta energy: -7.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -58.166384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.166384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.166384 (E_RNA) where: Base-Base interactions energy: -25.480 where: short stacking energy: -24.686 Base-Backbone interact. energy: -0.003 local terms energy: -32.683102 where: bonds (distance) C4'-P energy: -7.374 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -5.872 flat angles P-C4'-P energy: -5.628 tors. eta vs tors. theta energy: -6.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -61.268013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.268013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.268013 (E_RNA) where: Base-Base interactions energy: -29.857 where: short stacking energy: -23.569 Base-Backbone interact. energy: 0.123 local terms energy: -31.534656 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -5.398 flat angles P-C4'-P energy: -4.055 tors. eta vs tors. theta energy: -5.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -63.849815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.849815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.849815 (E_RNA) where: Base-Base interactions energy: -26.618 where: short stacking energy: -26.618 Base-Backbone interact. energy: -0.000 local terms energy: -37.232038 where: bonds (distance) C4'-P energy: -8.581 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -5.889 flat angles P-C4'-P energy: -6.108 tors. eta vs tors. theta energy: -7.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -47.126152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.126152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.126152 (E_RNA) where: Base-Base interactions energy: -16.935 where: short stacking energy: -16.935 Base-Backbone interact. energy: -0.083 local terms energy: -30.107389 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -7.670 flat angles P-C4'-P energy: -6.731 tors. eta vs tors. theta energy: -1.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -50.086569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.086569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.086569 (E_RNA) where: Base-Base interactions energy: -18.696 where: short stacking energy: -18.696 Base-Backbone interact. energy: -0.016 local terms energy: -31.375050 where: bonds (distance) C4'-P energy: -7.136 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -6.457 flat angles P-C4'-P energy: -5.215 tors. eta vs tors. theta energy: -3.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -43.044467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.044467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.044467 (E_RNA) where: Base-Base interactions energy: -14.292 where: short stacking energy: -14.292 Base-Backbone interact. energy: -0.058 local terms energy: -28.694282 where: bonds (distance) C4'-P energy: -6.566 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -7.189 flat angles P-C4'-P energy: -5.147 tors. eta vs tors. theta energy: -2.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -50.977030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.977030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.977030 (E_RNA) where: Base-Base interactions energy: -21.181 where: short stacking energy: -20.596 Base-Backbone interact. energy: -0.075 local terms energy: -29.721735 where: bonds (distance) C4'-P energy: -6.102 bonds (distance) P-C4' energy: -8.125 flat angles C4'-P-C4' energy: -7.297 flat angles P-C4'-P energy: -4.839 tors. eta vs tors. theta energy: -3.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -42.699326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.699326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.699326 (E_RNA) where: Base-Base interactions energy: -15.241 where: short stacking energy: -13.543 Base-Backbone interact. energy: 0.675 local terms energy: -28.132413 where: bonds (distance) C4'-P energy: -5.857 bonds (distance) P-C4' energy: -7.521 flat angles C4'-P-C4' energy: -7.320 flat angles P-C4'-P energy: -4.745 tors. eta vs tors. theta energy: -2.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -48.522097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.522097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.522097 (E_RNA) where: Base-Base interactions energy: -20.849 where: short stacking energy: -15.526 Base-Backbone interact. energy: -0.058 local terms energy: -27.615654 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -6.892 flat angles C4'-P-C4' energy: -6.783 flat angles P-C4'-P energy: -1.672 tors. eta vs tors. theta energy: -5.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -73.778667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.778667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.778667 (E_RNA) where: Base-Base interactions energy: -43.616 where: short stacking energy: -19.459 Base-Backbone interact. energy: 0.195 local terms energy: -30.356856 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -8.011 flat angles P-C4'-P energy: -5.300 tors. eta vs tors. theta energy: -1.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -61.528649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.528649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.528649 (E_RNA) where: Base-Base interactions energy: -25.006 where: short stacking energy: -25.006 Base-Backbone interact. energy: -0.001 local terms energy: -36.522131 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -8.853 flat angles P-C4'-P energy: -6.348 tors. eta vs tors. theta energy: -5.400 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: 3, replica: 5 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -80.912913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.912913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.912913 (E_RNA) where: Base-Base interactions energy: -44.690 where: short stacking energy: -30.414 Base-Backbone interact. energy: 1.549 local terms energy: -37.770948 where: bonds (distance) C4'-P energy: -6.573 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -7.265 flat angles P-C4'-P energy: -5.649 tors. eta vs tors. theta energy: -9.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -64.776754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.776754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.776754 (E_RNA) where: Base-Base interactions energy: -31.539 where: short stacking energy: -23.863 Base-Backbone interact. energy: -0.000 local terms energy: -33.237720 where: bonds (distance) C4'-P energy: -8.851 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -6.105 flat angles P-C4'-P energy: -3.984 tors. eta vs tors. theta energy: -6.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -48.723767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.723767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.723767 (E_RNA) where: Base-Base interactions energy: -22.174 where: short stacking energy: -22.174 Base-Backbone interact. energy: -0.015 local terms energy: -26.534898 where: bonds (distance) C4'-P energy: -4.152 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.026 flat angles P-C4'-P energy: -4.205 tors. eta vs tors. theta energy: -2.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -44.174236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.174236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.174236 (E_RNA) where: Base-Base interactions energy: -14.870 where: short stacking energy: -14.870 Base-Backbone interact. energy: -0.003 local terms energy: -29.300949 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -7.263 flat angles C4'-P-C4' energy: -7.765 flat angles P-C4'-P energy: -4.633 tors. eta vs tors. theta energy: -1.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -54.532095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.532095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.532095 (E_RNA) where: Base-Base interactions energy: -26.981 where: short stacking energy: -24.261 Base-Backbone interact. energy: 0.206 local terms energy: -27.756995 where: bonds (distance) C4'-P energy: -7.182 bonds (distance) P-C4' energy: -7.593 flat angles C4'-P-C4' energy: -2.426 flat angles P-C4'-P energy: -5.693 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: 176 Temperature: 1.250000 Total energy: -49.587621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.587621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.587621 (E_RNA) where: Base-Base interactions energy: -22.390 where: short stacking energy: -22.390 Base-Backbone interact. energy: -0.069 local terms energy: -27.128665 where: bonds (distance) C4'-P energy: -4.852 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -5.422 flat angles P-C4'-P energy: -5.695 tors. eta vs tors. theta energy: -4.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -43.114141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.114141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.114141 (E_RNA) where: Base-Base interactions energy: -16.462 where: short stacking energy: -15.943 Base-Backbone interact. energy: -0.000 local terms energy: -26.651546 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -6.478 flat angles C4'-P-C4' energy: -6.110 flat angles P-C4'-P energy: -3.117 tors. eta vs tors. theta energy: -5.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -50.376082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.376082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.376082 (E_RNA) where: Base-Base interactions energy: -19.159 where: short stacking energy: -13.300 Base-Backbone interact. energy: -0.001 local terms energy: -31.216258 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -7.581 flat angles P-C4'-P energy: -3.825 tors. eta vs tors. theta energy: -4.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -81.403788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.403788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.403788 (E_RNA) where: Base-Base interactions energy: -49.326 where: short stacking energy: -22.820 Base-Backbone interact. energy: -0.294 local terms energy: -31.783990 where: bonds (distance) C4'-P energy: -7.224 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.288 flat angles P-C4'-P energy: -4.449 tors. eta vs tors. theta energy: -3.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -57.571776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.571776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.571776 (E_RNA) where: Base-Base interactions energy: -23.072 where: short stacking energy: -23.072 Base-Backbone interact. energy: -0.089 local terms energy: -34.410519 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -6.135 flat angles P-C4'-P energy: -5.153 tors. eta vs tors. theta energy: -5.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -58.379022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.379022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.379022 (E_RNA) where: Base-Base interactions energy: -28.243 where: short stacking energy: -15.016 Base-Backbone interact. energy: 0.555 local terms energy: -30.690669 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -7.190 flat angles P-C4'-P energy: -4.983 tors. eta vs tors. theta energy: -2.487 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: 1 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -56.396602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.396602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.396602 (E_RNA) where: Base-Base interactions energy: -21.291 where: short stacking energy: -21.291 Base-Backbone interact. energy: -0.059 local terms energy: -35.046617 where: bonds (distance) C4'-P energy: -8.291 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -7.845 flat angles P-C4'-P energy: -3.545 tors. eta vs tors. theta energy: -6.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -56.264933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.264933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.264933 (E_RNA) where: Base-Base interactions energy: -23.419 where: short stacking energy: -23.419 Base-Backbone interact. energy: -0.001 local terms energy: -32.844477 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -7.241 flat angles C4'-P-C4' energy: -6.483 flat angles P-C4'-P energy: -4.255 tors. eta vs tors. theta energy: -6.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -52.381426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.381426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.381426 (E_RNA) where: Base-Base interactions energy: -21.506 where: short stacking energy: -17.454 Base-Backbone interact. energy: -0.076 local terms energy: -30.798919 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -7.139 flat angles P-C4'-P energy: -4.625 tors. eta vs tors. theta energy: -3.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -52.120694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.120694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.120694 (E_RNA) where: Base-Base interactions energy: -19.345 where: short stacking energy: -19.345 Base-Backbone interact. energy: -0.415 local terms energy: -32.359878 where: bonds (distance) C4'-P energy: -5.042 bonds (distance) P-C4' energy: -8.361 flat angles C4'-P-C4' energy: -7.323 flat angles P-C4'-P energy: -4.742 tors. eta vs tors. theta energy: -6.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -46.290069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.290069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.290069 (E_RNA) where: Base-Base interactions energy: -21.113 where: short stacking energy: -13.271 Base-Backbone interact. energy: -0.002 local terms energy: -25.174763 where: bonds (distance) C4'-P energy: -5.154 bonds (distance) P-C4' energy: -5.269 flat angles C4'-P-C4' energy: -8.933 flat angles P-C4'-P energy: -5.136 tors. eta vs tors. theta energy: -0.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -50.102849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.102849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.102849 (E_RNA) where: Base-Base interactions energy: -20.897 where: short stacking energy: -20.897 Base-Backbone interact. energy: -0.015 local terms energy: -29.190870 where: bonds (distance) C4'-P energy: -2.963 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -7.337 flat angles P-C4'-P energy: -3.056 tors. eta vs tors. theta energy: -7.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -39.852787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.852787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.852787 (E_RNA) where: Base-Base interactions energy: -14.801 where: short stacking energy: -14.801 Base-Backbone interact. energy: -0.023 local terms energy: -25.028897 where: bonds (distance) C4'-P energy: -7.390 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -3.224 tors. eta vs tors. theta energy: -1.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -79.583581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.583581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.583581 (E_RNA) where: Base-Base interactions energy: -45.323 where: short stacking energy: -20.996 Base-Backbone interact. energy: -0.003 local terms energy: -34.257137 where: bonds (distance) C4'-P energy: -7.493 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -7.294 flat angles P-C4'-P energy: -5.377 tors. eta vs tors. theta energy: -6.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -65.085005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.085005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.085005 (E_RNA) where: Base-Base interactions energy: -29.422 where: short stacking energy: -29.422 Base-Backbone interact. energy: -0.000 local terms energy: -35.663026 where: bonds (distance) C4'-P energy: -5.485 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -7.770 flat angles P-C4'-P energy: -5.876 tors. eta vs tors. theta energy: -9.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -57.407895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.407895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.407895 (E_RNA) where: Base-Base interactions energy: -24.000 where: short stacking energy: -24.000 Base-Backbone interact. energy: -0.004 local terms energy: -33.403913 where: bonds (distance) C4'-P energy: -8.424 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -8.796 flat angles P-C4'-P energy: -5.409 tors. eta vs tors. theta energy: -4.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -57.779573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.779573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.779573 (E_RNA) where: Base-Base interactions energy: -25.863 where: short stacking energy: -19.323 Base-Backbone interact. energy: -0.000 local terms energy: -31.916410 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -6.578 flat angles P-C4'-P energy: -3.974 tors. eta vs tors. theta energy: -5.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -54.813372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.813372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.813372 (E_RNA) where: Base-Base interactions energy: -24.866 where: short stacking energy: -24.563 Base-Backbone interact. energy: -0.079 local terms energy: -29.868619 where: bonds (distance) C4'-P energy: -2.206 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.061 flat angles P-C4'-P energy: -5.715 tors. eta vs tors. theta energy: -4.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -51.124969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.124969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.124969 (E_RNA) where: Base-Base interactions energy: -17.357 where: short stacking energy: -17.357 Base-Backbone interact. energy: -0.000 local terms energy: -33.767204 where: bonds (distance) C4'-P energy: -8.549 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -7.099 flat angles P-C4'-P energy: -1.041 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: 7, replica: 2 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -44.287449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.287449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.287449 (E_RNA) where: Base-Base interactions energy: -15.698 where: short stacking energy: -9.389 Base-Backbone interact. energy: 0.663 local terms energy: -29.252913 where: bonds (distance) C4'-P energy: -8.193 bonds (distance) P-C4' energy: -8.267 flat angles C4'-P-C4' energy: -7.932 flat angles P-C4'-P energy: -6.625 tors. eta vs tors. theta energy: 1.764 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: 178 Temperature: 1.250000 Total energy: -44.068332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.068332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.068332 (E_RNA) where: Base-Base interactions energy: -13.626 where: short stacking energy: -13.626 Base-Backbone interact. energy: -0.121 local terms energy: -30.321022 where: bonds (distance) C4'-P energy: -4.806 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -7.796 flat angles P-C4'-P energy: -5.326 tors. eta vs tors. theta energy: -2.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -42.539685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.539685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.539685 (E_RNA) where: Base-Base interactions energy: -14.079 where: short stacking energy: -13.166 Base-Backbone interact. energy: -0.040 local terms energy: -28.420961 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -6.829 flat angles P-C4'-P energy: -5.295 tors. eta vs tors. theta energy: -1.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -41.587488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.587488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.587488 (E_RNA) where: Base-Base interactions energy: -15.871 where: short stacking energy: -7.095 Base-Backbone interact. energy: -0.066 local terms energy: -25.650437 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -8.513 flat angles C4'-P-C4' energy: -6.605 flat angles P-C4'-P energy: -3.883 tors. eta vs tors. theta energy: 1.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -68.559569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.559569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.559569 (E_RNA) where: Base-Base interactions energy: -37.050 where: short stacking energy: -24.709 Base-Backbone interact. energy: -0.001 local terms energy: -31.508991 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -7.476 flat angles P-C4'-P energy: -4.526 tors. eta vs tors. theta energy: -5.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -67.464801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.464801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.464801 (E_RNA) where: Base-Base interactions energy: -33.836 where: short stacking energy: -26.876 Base-Backbone interact. energy: -0.000 local terms energy: -33.628113 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -5.607 flat angles P-C4'-P energy: -6.597 tors. eta vs tors. theta energy: -4.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -55.168337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.168337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.168337 (E_RNA) where: Base-Base interactions energy: -25.235 where: short stacking energy: -12.915 Base-Backbone interact. energy: -0.312 local terms energy: -29.621367 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -7.023 flat angles P-C4'-P energy: -3.857 tors. eta vs tors. theta energy: -3.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -66.663730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.663730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.663730 (E_RNA) where: Base-Base interactions energy: -33.869 where: short stacking energy: -30.293 Base-Backbone interact. energy: -0.000 local terms energy: -32.794955 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.419 flat angles P-C4'-P energy: -1.026 tors. eta vs tors. theta energy: -8.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -73.448431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.448431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.448431 (E_RNA) where: Base-Base interactions energy: -39.138 where: short stacking energy: -20.351 Base-Backbone interact. energy: -0.000 local terms energy: -34.310698 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -8.149 flat angles P-C4'-P energy: -5.492 tors. eta vs tors. theta energy: -5.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -55.432328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.432328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.432328 (E_RNA) where: Base-Base interactions energy: -23.713 where: short stacking energy: -14.116 Base-Backbone interact. energy: -0.001 local terms energy: -31.718333 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -6.000 flat angles P-C4'-P energy: -5.320 tors. eta vs tors. theta energy: -3.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -48.762975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.762975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.762975 (E_RNA) where: Base-Base interactions energy: -16.600 where: short stacking energy: -16.600 Base-Backbone interact. energy: -0.145 local terms energy: -32.017772 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -8.112 flat angles P-C4'-P energy: -5.645 tors. eta vs tors. theta energy: -2.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -52.255387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.255387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.255387 (E_RNA) where: Base-Base interactions energy: -17.190 where: short stacking energy: -17.190 Base-Backbone interact. energy: -0.002 local terms energy: -35.062945 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -7.608 flat angles P-C4'-P energy: -7.504 tors. eta vs tors. theta energy: -5.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -54.115346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.115346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.115346 (E_RNA) where: Base-Base interactions energy: -20.184 where: short stacking energy: -20.029 Base-Backbone interact. energy: -0.007 local terms energy: -33.924729 where: bonds (distance) C4'-P energy: -6.280 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -8.317 flat angles P-C4'-P energy: -4.795 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: 10, replica: 9 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -41.339344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.339344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.339344 (E_RNA) where: Base-Base interactions energy: -18.587 where: short stacking energy: -18.587 Base-Backbone interact. energy: -0.001 local terms energy: -22.751901 where: bonds (distance) C4'-P energy: -1.203 bonds (distance) P-C4' energy: -5.475 flat angles C4'-P-C4' energy: -7.134 flat angles P-C4'-P energy: -3.783 tors. eta vs tors. theta energy: -5.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -66.382785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.382785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.382785 (E_RNA) where: Base-Base interactions energy: -28.937 where: short stacking energy: -28.937 Base-Backbone interact. energy: -0.017 local terms energy: -37.428913 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.298 flat angles P-C4'-P energy: -4.715 tors. eta vs tors. theta energy: -6.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -64.292662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.292662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.292662 (E_RNA) where: Base-Base interactions energy: -26.060 where: short stacking energy: -26.060 Base-Backbone interact. energy: -0.099 local terms energy: -38.134133 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -8.516 flat angles C4'-P-C4' energy: -8.846 flat angles P-C4'-P energy: -6.038 tors. eta vs tors. theta energy: -6.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -47.116214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.116214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.116214 (E_RNA) where: Base-Base interactions energy: -14.920 where: short stacking energy: -14.920 Base-Backbone interact. energy: -0.029 local terms energy: -32.167430 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -8.433 flat angles P-C4'-P energy: -3.249 tors. eta vs tors. theta energy: -3.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -62.686073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.686073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.686073 (E_RNA) where: Base-Base interactions energy: -23.662 where: short stacking energy: -23.662 Base-Backbone interact. energy: -0.000 local terms energy: -39.023799 where: bonds (distance) C4'-P energy: -7.340 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -9.415 flat angles P-C4'-P energy: -5.002 tors. eta vs tors. theta energy: -7.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -49.297635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.297635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.297635 (E_RNA) where: Base-Base interactions energy: -18.119 where: short stacking energy: -18.119 Base-Backbone interact. energy: -0.092 local terms energy: -31.086993 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -6.159 flat angles C4'-P-C4' energy: -7.185 flat angles P-C4'-P energy: -5.527 tors. eta vs tors. theta energy: -4.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -55.746107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.746107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.746107 (E_RNA) where: Base-Base interactions energy: -25.201 where: short stacking energy: -25.201 Base-Backbone interact. energy: -0.080 local terms energy: -30.465160 where: bonds (distance) C4'-P energy: -5.795 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -6.759 flat angles P-C4'-P energy: -2.572 tors. eta vs tors. theta energy: -6.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -53.413679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.413679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.413679 (E_RNA) where: Base-Base interactions energy: -19.503 where: short stacking energy: -19.503 Base-Backbone interact. energy: -0.000 local terms energy: -33.910536 where: bonds (distance) C4'-P energy: -6.545 bonds (distance) P-C4' energy: -8.087 flat angles C4'-P-C4' energy: -7.805 flat angles P-C4'-P energy: -6.079 tors. eta vs tors. theta energy: -5.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -52.252580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.252580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.252580 (E_RNA) where: Base-Base interactions energy: -21.079 where: short stacking energy: -21.079 Base-Backbone interact. energy: -0.004 local terms energy: -31.170185 where: bonds (distance) C4'-P energy: -6.822 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -7.948 flat angles P-C4'-P energy: -4.552 tors. eta vs tors. theta energy: -6.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -52.577459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.577459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.577459 (E_RNA) where: Base-Base interactions energy: -27.035 where: short stacking energy: -15.508 Base-Backbone interact. energy: 0.099 local terms energy: -25.641531 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -4.235 flat angles C4'-P-C4' energy: -5.017 flat angles P-C4'-P energy: -6.694 tors. eta vs tors. theta energy: -1.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -46.011502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.011502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.011502 (E_RNA) where: Base-Base interactions energy: -18.303 where: short stacking energy: -18.303 Base-Backbone interact. energy: -0.001 local terms energy: -27.707209 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -7.576 flat angles C4'-P-C4' energy: -5.946 flat angles P-C4'-P energy: -3.389 tors. eta vs tors. theta energy: -3.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -68.345286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.345286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.345286 (E_RNA) where: Base-Base interactions energy: -29.288 where: short stacking energy: -29.288 Base-Backbone interact. energy: -0.000 local terms energy: -39.057594 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -8.098 flat angles P-C4'-P energy: -4.590 tors. eta vs tors. theta energy: -9.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -64.148876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.148876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.148876 (E_RNA) where: Base-Base interactions energy: -34.570 where: short stacking energy: -25.773 Base-Backbone interact. energy: -0.001 local terms energy: -29.578178 where: bonds (distance) C4'-P energy: -3.619 bonds (distance) P-C4' energy: -7.365 flat angles C4'-P-C4' energy: -8.815 flat angles P-C4'-P energy: -4.351 tors. eta vs tors. theta energy: -5.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -57.710289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.710289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.710289 (E_RNA) where: Base-Base interactions energy: -25.232 where: short stacking energy: -22.170 Base-Backbone interact. energy: -0.001 local terms energy: -32.477777 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -6.801 flat angles C4'-P-C4' energy: -8.540 flat angles P-C4'-P energy: -3.921 tors. eta vs tors. theta energy: -4.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -55.205006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.205006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.205006 (E_RNA) where: Base-Base interactions energy: -27.603 where: short stacking energy: -27.603 Base-Backbone interact. energy: -0.204 local terms energy: -27.398162 where: bonds (distance) C4'-P energy: -6.644 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -4.215 flat angles P-C4'-P energy: -3.118 tors. eta vs tors. theta energy: -4.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -50.068295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.068295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.068295 (E_RNA) where: Base-Base interactions energy: -24.423 where: short stacking energy: -18.712 Base-Backbone interact. energy: -0.038 local terms energy: -25.607508 where: bonds (distance) C4'-P energy: -5.399 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -7.104 flat angles P-C4'-P energy: -3.195 tors. eta vs tors. theta energy: -2.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -57.733556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.733556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.733556 (E_RNA) where: Base-Base interactions energy: -28.769 where: short stacking energy: -28.769 Base-Backbone interact. energy: -0.009 local terms energy: -28.955775 where: bonds (distance) C4'-P energy: -8.407 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -6.539 flat angles P-C4'-P energy: -1.273 tors. eta vs tors. theta energy: -4.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -45.036379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.036379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.036379 (E_RNA) where: Base-Base interactions energy: -22.842 where: short stacking energy: -16.256 Base-Backbone interact. energy: -0.037 local terms energy: -22.157854 where: bonds (distance) C4'-P energy: -3.391 bonds (distance) P-C4' energy: -7.435 flat angles C4'-P-C4' energy: -5.029 flat angles P-C4'-P energy: -5.005 tors. eta vs tors. theta energy: -1.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -43.135337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.135337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.135337 (E_RNA) where: Base-Base interactions energy: -19.867 where: short stacking energy: -19.867 Base-Backbone interact. energy: -0.104 local terms energy: -23.163990 where: bonds (distance) C4'-P energy: -2.302 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -3.621 flat angles P-C4'-P energy: -4.069 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: 9, replica: 9 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -43.776154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.776154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.776154 (E_RNA) where: Base-Base interactions energy: -16.295 where: short stacking energy: -16.295 Base-Backbone interact. energy: -0.069 local terms energy: -27.412079 where: bonds (distance) C4'-P energy: -5.787 bonds (distance) P-C4' energy: -8.119 flat angles C4'-P-C4' energy: -6.021 flat angles P-C4'-P energy: -4.018 tors. eta vs tors. theta energy: -3.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -42.278408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.278408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.278408 (E_RNA) where: Base-Base interactions energy: -14.586 where: short stacking energy: -14.586 Base-Backbone interact. energy: -0.001 local terms energy: -27.691224 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -3.881 flat angles P-C4'-P energy: -2.241 tors. eta vs tors. theta energy: -3.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -64.150012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.150012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.150012 (E_RNA) where: Base-Base interactions energy: -27.905 where: short stacking energy: -27.905 Base-Backbone interact. energy: -0.000 local terms energy: -36.244900 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.182 flat angles P-C4'-P energy: -6.768 tors. eta vs tors. theta energy: -6.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -66.619441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.619441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.619441 (E_RNA) where: Base-Base interactions energy: -33.739 where: short stacking energy: -28.345 Base-Backbone interact. energy: -0.114 local terms energy: -32.766570 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -6.558 flat angles P-C4'-P energy: -4.650 tors. eta vs tors. theta energy: -5.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -53.613959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.613959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.613959 (E_RNA) where: Base-Base interactions energy: -19.548 where: short stacking energy: -18.204 Base-Backbone interact. energy: -0.000 local terms energy: -34.066210 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.156 flat angles P-C4'-P energy: -5.906 tors. eta vs tors. theta energy: -6.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -51.106689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.106689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.106689 (E_RNA) where: Base-Base interactions energy: -17.888 where: short stacking energy: -17.888 Base-Backbone interact. energy: -0.002 local terms energy: -33.216397 where: bonds (distance) C4'-P energy: -8.672 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -7.134 flat angles P-C4'-P energy: -5.358 tors. eta vs tors. theta energy: -3.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -55.514814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.514814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.514814 (E_RNA) where: Base-Base interactions energy: -23.827 where: short stacking energy: -23.827 Base-Backbone interact. energy: -0.001 local terms energy: -31.686079 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -8.396 flat angles C4'-P-C4' energy: -6.711 flat angles P-C4'-P energy: -1.383 tors. eta vs tors. theta energy: -7.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -52.362307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.362307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.362307 (E_RNA) where: Base-Base interactions energy: -19.901 where: short stacking energy: -19.299 Base-Backbone interact. energy: -0.001 local terms energy: -32.460335 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -5.946 flat angles C4'-P-C4' energy: -6.723 flat angles P-C4'-P energy: -5.481 tors. eta vs tors. theta energy: -5.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -52.791019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.791019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.791019 (E_RNA) where: Base-Base interactions energy: -28.441 where: short stacking energy: -14.936 Base-Backbone interact. energy: -0.035 local terms energy: -24.315697 where: bonds (distance) C4'-P energy: -6.478 bonds (distance) P-C4' energy: -7.005 flat angles C4'-P-C4' energy: -5.751 flat angles P-C4'-P energy: -2.113 tors. eta vs tors. theta energy: -2.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -43.347827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.347827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.347827 (E_RNA) where: Base-Base interactions energy: -14.192 where: short stacking energy: -13.317 Base-Backbone interact. energy: -0.235 local terms energy: -28.921008 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.100 flat angles C4'-P-C4' energy: -6.444 flat angles P-C4'-P energy: -6.608 tors. eta vs tors. theta energy: 0.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -43.662321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.662321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.662321 (E_RNA) where: Base-Base interactions energy: -15.766 where: short stacking energy: -15.766 Base-Backbone interact. energy: -0.004 local terms energy: -27.893207 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -3.423 flat angles C4'-P-C4' energy: -7.474 flat angles P-C4'-P energy: -5.122 tors. eta vs tors. theta energy: -3.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -43.325039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.325039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.325039 (E_RNA) where: Base-Base interactions energy: -15.646 where: short stacking energy: -15.646 Base-Backbone interact. energy: -0.002 local terms energy: -27.676942 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.077 flat angles P-C4'-P energy: -0.954 tors. eta vs tors. theta energy: -2.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -66.180717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.180717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.180717 (E_RNA) where: Base-Base interactions energy: -37.255 where: short stacking energy: -28.189 Base-Backbone interact. energy: -0.001 local terms energy: -28.924061 where: bonds (distance) C4'-P energy: -6.359 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -5.585 flat angles P-C4'-P energy: -2.805 tors. eta vs tors. theta energy: -6.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -68.720649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.720649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.720649 (E_RNA) where: Base-Base interactions energy: -30.906 where: short stacking energy: -30.906 Base-Backbone interact. energy: -0.000 local terms energy: -37.814677 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -8.691 flat angles P-C4'-P energy: -5.709 tors. eta vs tors. theta energy: -9.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -62.151115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.151115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.151115 (E_RNA) where: Base-Base interactions energy: -27.260 where: short stacking energy: -27.260 Base-Backbone interact. energy: -0.000 local terms energy: -34.891105 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -3.593 flat angles C4'-P-C4' energy: -8.568 flat angles P-C4'-P energy: -6.414 tors. eta vs tors. theta energy: -7.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -69.094927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.094927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.094927 (E_RNA) where: Base-Base interactions energy: -36.399 where: short stacking energy: -22.444 Base-Backbone interact. energy: -0.000 local terms energy: -32.696112 where: bonds (distance) C4'-P energy: -8.291 bonds (distance) P-C4' energy: -8.128 flat angles C4'-P-C4' energy: -5.179 flat angles P-C4'-P energy: -4.218 tors. eta vs tors. theta energy: -6.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -58.801097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.801097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.801097 (E_RNA) where: Base-Base interactions energy: -25.475 where: short stacking energy: -25.475 Base-Backbone interact. energy: -0.004 local terms energy: -33.322665 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -7.992 flat angles C4'-P-C4' energy: -5.227 flat angles P-C4'-P energy: -5.177 tors. eta vs tors. theta energy: -6.876 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: 6 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -53.532786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.532786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.532786 (E_RNA) where: Base-Base interactions energy: -22.810 where: short stacking energy: -22.181 Base-Backbone interact. energy: -0.119 local terms energy: -30.603915 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -7.346 flat angles P-C4'-P energy: -6.726 tors. eta vs tors. theta energy: -2.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -51.805920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.805920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.805920 (E_RNA) where: Base-Base interactions energy: -24.894 where: short stacking energy: -18.559 Base-Backbone interact. energy: -0.002 local terms energy: -26.909868 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.309 flat angles P-C4'-P energy: 1.533 tors. eta vs tors. theta energy: -7.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -51.955891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.955891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.955891 (E_RNA) where: Base-Base interactions energy: -21.515 where: short stacking energy: -10.141 Base-Backbone interact. energy: -0.514 local terms energy: -29.926296 where: bonds (distance) C4'-P energy: -8.299 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.800 flat angles P-C4'-P energy: -3.726 tors. eta vs tors. theta energy: -3.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -40.900407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.900407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.900407 (E_RNA) where: Base-Base interactions energy: -12.840 where: short stacking energy: -12.840 Base-Backbone interact. energy: -0.051 local terms energy: -28.009185 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -4.054 flat angles P-C4'-P energy: -4.747 tors. eta vs tors. theta energy: -1.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -38.113443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.113443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.113443 (E_RNA) where: Base-Base interactions energy: -10.976 where: short stacking energy: -10.976 Base-Backbone interact. energy: -0.001 local terms energy: -27.136091 where: bonds (distance) C4'-P energy: -5.042 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -5.792 flat angles P-C4'-P energy: -4.694 tors. eta vs tors. theta energy: -2.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -64.954436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.954436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.954436 (E_RNA) where: Base-Base interactions energy: -27.682 where: short stacking energy: -27.682 Base-Backbone interact. energy: -0.097 local terms energy: -37.175050 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -6.976 flat angles P-C4'-P energy: -6.145 tors. eta vs tors. theta energy: -7.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -60.227775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.227775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.227775 (E_RNA) where: Base-Base interactions energy: -23.533 where: short stacking energy: -23.533 Base-Backbone interact. energy: -0.010 local terms energy: -36.685671 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -9.006 flat angles P-C4'-P energy: -6.500 tors. eta vs tors. theta energy: -6.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -64.731611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.731611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.731611 (E_RNA) where: Base-Base interactions energy: -34.340 where: short stacking energy: -16.937 Base-Backbone interact. energy: -0.042 local terms energy: -30.350158 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -9.306 flat angles C4'-P-C4' energy: -6.774 flat angles P-C4'-P energy: -6.625 tors. eta vs tors. theta energy: -0.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -51.056965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.056965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.056965 (E_RNA) where: Base-Base interactions energy: -22.348 where: short stacking energy: -19.379 Base-Backbone interact. energy: -0.075 local terms energy: -28.633655 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -4.054 flat angles P-C4'-P energy: -6.465 tors. eta vs tors. theta energy: -2.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -45.533496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.533496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.533496 (E_RNA) where: Base-Base interactions energy: -15.069 where: short stacking energy: -15.069 Base-Backbone interact. energy: -0.478 local terms energy: -29.985899 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -7.141 flat angles P-C4'-P energy: -6.243 tors. eta vs tors. theta energy: -3.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -50.199677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.199677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.199677 (E_RNA) where: Base-Base interactions energy: -18.414 where: short stacking energy: -17.118 Base-Backbone interact. energy: -0.002 local terms energy: -31.784134 where: bonds (distance) C4'-P energy: -7.911 bonds (distance) P-C4' energy: -8.887 flat angles C4'-P-C4' energy: -5.918 flat angles P-C4'-P energy: -4.889 tors. eta vs tors. theta energy: -4.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -56.349604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.349604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.349604 (E_RNA) where: Base-Base interactions energy: -26.185 where: short stacking energy: -23.572 Base-Backbone interact. energy: -0.000 local terms energy: -30.164799 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -7.142 flat angles P-C4'-P energy: -3.468 tors. eta vs tors. theta energy: -4.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -48.524410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.524410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.524410 (E_RNA) where: Base-Base interactions energy: -16.195 where: short stacking energy: -16.195 Base-Backbone interact. energy: -0.034 local terms energy: -32.294694 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -9.028 flat angles C4'-P-C4' energy: -5.582 flat angles P-C4'-P energy: -5.576 tors. eta vs tors. theta energy: -4.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -45.311348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.311348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.311348 (E_RNA) where: Base-Base interactions energy: -17.829 where: short stacking energy: -17.829 Base-Backbone interact. energy: -1.055 local terms energy: -26.426799 where: bonds (distance) C4'-P energy: -5.679 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -5.955 flat angles P-C4'-P energy: -4.675 tors. eta vs tors. theta energy: -3.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -43.449257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.449257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.449257 (E_RNA) where: Base-Base interactions energy: -20.980 where: short stacking energy: -15.342 Base-Backbone interact. energy: -0.048 local terms energy: -22.421588 where: bonds (distance) C4'-P energy: -4.031 bonds (distance) P-C4' energy: -7.728 flat angles C4'-P-C4' energy: -6.898 flat angles P-C4'-P energy: -0.871 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: 2 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -62.383964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.383964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.383964 (E_RNA) where: Base-Base interactions energy: -28.527 where: short stacking energy: -28.527 Base-Backbone interact. energy: -0.001 local terms energy: -33.855933 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -5.054 flat angles C4'-P-C4' energy: -7.216 flat angles P-C4'-P energy: -5.233 tors. eta vs tors. theta energy: -7.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -63.802849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.802849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.802849 (E_RNA) where: Base-Base interactions energy: -29.824 where: short stacking energy: -27.370 Base-Backbone interact. energy: -0.468 local terms energy: -33.511045 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -8.229 flat angles P-C4'-P energy: -4.609 tors. eta vs tors. theta energy: -6.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -53.408525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.408525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.408525 (E_RNA) where: Base-Base interactions energy: -19.094 where: short stacking energy: -19.094 Base-Backbone interact. energy: -0.193 local terms energy: -34.122002 where: bonds (distance) C4'-P energy: -6.433 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -7.489 flat angles P-C4'-P energy: -4.903 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: 4, replica: 8 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -49.024920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.024920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.024920 (E_RNA) where: Base-Base interactions energy: -21.015 where: short stacking energy: -21.015 Base-Backbone interact. energy: -0.130 local terms energy: -27.879186 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -6.405 flat angles C4'-P-C4' energy: -6.601 flat angles P-C4'-P energy: -6.727 tors. eta vs tors. theta energy: -2.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -48.844597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.844597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.844597 (E_RNA) where: Base-Base interactions energy: -16.864 where: short stacking energy: -16.864 Base-Backbone interact. energy: -0.000 local terms energy: -31.979983 where: bonds (distance) C4'-P energy: -3.879 bonds (distance) P-C4' energy: -7.728 flat angles C4'-P-C4' energy: -8.290 flat angles P-C4'-P energy: -6.748 tors. eta vs tors. theta energy: -5.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -48.772000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.772000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.772000 (E_RNA) where: Base-Base interactions energy: -17.576 where: short stacking energy: -17.576 Base-Backbone interact. energy: -0.003 local terms energy: -31.192741 where: bonds (distance) C4'-P energy: -5.555 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -8.023 flat angles P-C4'-P energy: -6.322 tors. eta vs tors. theta energy: -3.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -50.985534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.985534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.985534 (E_RNA) where: Base-Base interactions energy: -20.375 where: short stacking energy: -17.257 Base-Backbone interact. energy: -0.001 local terms energy: -30.610014 where: bonds (distance) C4'-P energy: -6.939 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -6.867 flat angles P-C4'-P energy: -4.175 tors. eta vs tors. theta energy: -4.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -41.502620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.502620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.502620 (E_RNA) where: Base-Base interactions energy: -18.315 where: short stacking energy: -12.855 Base-Backbone interact. energy: -0.099 local terms energy: -23.088255 where: bonds (distance) C4'-P energy: -6.889 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -7.072 flat angles P-C4'-P energy: -2.728 tors. eta vs tors. theta energy: 1.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -50.711124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.711124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.711124 (E_RNA) where: Base-Base interactions energy: -18.441 where: short stacking energy: -16.479 Base-Backbone interact. energy: -0.014 local terms energy: -32.256773 where: bonds (distance) C4'-P energy: -6.702 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -7.369 flat angles P-C4'-P energy: -5.560 tors. eta vs tors. theta energy: -5.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -44.250623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.250623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.250623 (E_RNA) where: Base-Base interactions energy: -15.757 where: short stacking energy: -15.757 Base-Backbone interact. energy: -0.040 local terms energy: -28.452946 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.029 flat angles C4'-P-C4' energy: -6.663 flat angles P-C4'-P energy: -6.028 tors. eta vs tors. theta energy: -4.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -64.286418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.286418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.286418 (E_RNA) where: Base-Base interactions energy: -26.991 where: short stacking energy: -26.991 Base-Backbone interact. energy: -0.000 local terms energy: -37.294726 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -5.924 flat angles P-C4'-P energy: -6.533 tors. eta vs tors. theta energy: -9.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -58.854939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.854939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.854939 (E_RNA) where: Base-Base interactions energy: -26.468 where: short stacking energy: -22.993 Base-Backbone interact. energy: -0.127 local terms energy: -32.260709 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -6.383 flat angles C4'-P-C4' energy: -7.651 flat angles P-C4'-P energy: -5.718 tors. eta vs tors. theta energy: -4.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -60.124333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.124333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.124333 (E_RNA) where: Base-Base interactions energy: -23.624 where: short stacking energy: -23.624 Base-Backbone interact. energy: -0.006 local terms energy: -36.494334 where: bonds (distance) C4'-P energy: -6.516 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -7.074 flat angles P-C4'-P energy: -6.693 tors. eta vs tors. theta energy: -7.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -55.526881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.526881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.526881 (E_RNA) where: Base-Base interactions energy: -20.666 where: short stacking energy: -19.973 Base-Backbone interact. energy: -0.389 local terms energy: -34.471952 where: bonds (distance) C4'-P energy: -7.214 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.517 flat angles P-C4'-P energy: -5.331 tors. eta vs tors. theta energy: -5.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -47.411485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.411485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.411485 (E_RNA) where: Base-Base interactions energy: -15.932 where: short stacking energy: -15.932 Base-Backbone interact. energy: -0.000 local terms energy: -31.479557 where: bonds (distance) C4'-P energy: -5.894 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.531 flat angles P-C4'-P energy: -4.939 tors. eta vs tors. theta energy: -5.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -45.697608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.697608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.697608 (E_RNA) where: Base-Base interactions energy: -17.727 where: short stacking energy: -12.280 Base-Backbone interact. energy: 0.361 local terms energy: -28.331362 where: bonds (distance) C4'-P energy: -4.976 bonds (distance) P-C4' energy: -7.999 flat angles C4'-P-C4' energy: -5.544 flat angles P-C4'-P energy: -5.686 tors. eta vs tors. theta energy: -4.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -48.953196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.953196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.953196 (E_RNA) where: Base-Base interactions energy: -22.088 where: short stacking energy: -21.156 Base-Backbone interact. energy: -0.178 local terms energy: -26.687678 where: bonds (distance) C4'-P energy: -5.795 bonds (distance) P-C4' energy: -7.262 flat angles C4'-P-C4' energy: -8.042 flat angles P-C4'-P energy: -2.841 tors. eta vs tors. theta energy: -2.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -46.748679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.748679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.748679 (E_RNA) where: Base-Base interactions energy: -21.124 where: short stacking energy: -11.987 Base-Backbone interact. energy: -0.141 local terms energy: -25.483209 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -7.352 flat angles P-C4'-P energy: -5.332 tors. eta vs tors. theta energy: 1.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -39.856766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.856766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.856766 (E_RNA) where: Base-Base interactions energy: -15.233 where: short stacking energy: -8.025 Base-Backbone interact. energy: -0.042 local terms energy: -24.581724 where: bonds (distance) C4'-P energy: -4.632 bonds (distance) P-C4' energy: -8.256 flat angles C4'-P-C4' energy: -8.882 flat angles P-C4'-P energy: -2.073 tors. eta vs tors. theta energy: -0.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -45.293280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.293280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.293280 (E_RNA) where: Base-Base interactions energy: -12.395 where: short stacking energy: -12.395 Base-Backbone interact. energy: -0.002 local terms energy: -32.896084 where: bonds (distance) C4'-P energy: -6.876 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.089 flat angles P-C4'-P energy: -4.888 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: 1, replica: 2 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -68.561167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.561167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.561167 (E_RNA) where: Base-Base interactions energy: -30.659 where: short stacking energy: -30.659 Base-Backbone interact. energy: -0.000 local terms energy: -37.902447 where: bonds (distance) C4'-P energy: -7.021 bonds (distance) P-C4' energy: -7.790 flat angles C4'-P-C4' energy: -8.231 flat angles P-C4'-P energy: -6.658 tors. eta vs tors. theta energy: -8.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -80.218301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.218301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.218301 (E_RNA) where: Base-Base interactions energy: -46.088 where: short stacking energy: -27.497 Base-Backbone interact. energy: -0.006 local terms energy: -34.124008 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -7.689 flat angles C4'-P-C4' energy: -7.223 flat angles P-C4'-P energy: -6.472 tors. eta vs tors. theta energy: -4.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -65.211256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.211256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.211256 (E_RNA) where: Base-Base interactions energy: -29.715 where: short stacking energy: -26.928 Base-Backbone interact. energy: -0.000 local terms energy: -35.496343 where: bonds (distance) C4'-P energy: -4.942 bonds (distance) P-C4' energy: -8.097 flat angles C4'-P-C4' energy: -6.749 flat angles P-C4'-P energy: -6.076 tors. eta vs tors. theta energy: -9.632 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: 4, replica: 10 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -50.385188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.385188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.385188 (E_RNA) where: Base-Base interactions energy: -21.127 where: short stacking energy: -20.029 Base-Backbone interact. energy: -0.106 local terms energy: -29.152373 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.565 flat angles C4'-P-C4' energy: -6.802 flat angles P-C4'-P energy: -2.344 tors. eta vs tors. theta energy: -3.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -64.965134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.965134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.965134 (E_RNA) where: Base-Base interactions energy: -26.135 where: short stacking energy: -25.691 Base-Backbone interact. energy: -0.016 local terms energy: -38.814171 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -9.008 flat angles P-C4'-P energy: -6.698 tors. eta vs tors. theta energy: -7.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -47.811973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.811973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.811973 (E_RNA) where: Base-Base interactions energy: -21.017 where: short stacking energy: -15.602 Base-Backbone interact. energy: -0.079 local terms energy: -26.716070 where: bonds (distance) C4'-P energy: -3.610 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.792 flat angles P-C4'-P energy: -6.305 tors. eta vs tors. theta energy: -2.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -60.462887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.462887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.462887 (E_RNA) where: Base-Base interactions energy: -21.115 where: short stacking energy: -21.115 Base-Backbone interact. energy: -0.000 local terms energy: -39.347879 where: bonds (distance) C4'-P energy: -7.381 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -7.542 flat angles P-C4'-P energy: -6.761 tors. eta vs tors. theta energy: -9.806 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: 3 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -44.843739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.843739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.843739 (E_RNA) where: Base-Base interactions energy: -18.040 where: short stacking energy: -16.462 Base-Backbone interact. energy: -0.093 local terms energy: -26.711257 where: bonds (distance) C4'-P energy: -4.003 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -7.914 flat angles P-C4'-P energy: -5.512 tors. eta vs tors. theta energy: -2.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -49.859656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.859656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.859656 (E_RNA) where: Base-Base interactions energy: -18.797 where: short stacking energy: -18.797 Base-Backbone interact. energy: -0.003 local terms energy: -31.059447 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -6.350 flat angles P-C4'-P energy: -3.659 tors. eta vs tors. theta energy: -3.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -42.157110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.157110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.157110 (E_RNA) where: Base-Base interactions energy: -11.319 where: short stacking energy: -10.683 Base-Backbone interact. energy: -0.050 local terms energy: -30.787915 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.327 flat angles C4'-P-C4' energy: -6.591 flat angles P-C4'-P energy: -2.792 tors. eta vs tors. theta energy: -4.861 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: 1, replica: 1 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -74.261430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.261430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.261430 (E_RNA) where: Base-Base interactions energy: -41.391 where: short stacking energy: -30.431 Base-Backbone interact. energy: 0.623 local terms energy: -33.493313 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -6.293 flat angles C4'-P-C4' energy: -5.974 flat angles P-C4'-P energy: -5.556 tors. eta vs tors. theta energy: -7.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -62.293271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.293271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.293271 (E_RNA) where: Base-Base interactions energy: -27.262 where: short stacking energy: -27.262 Base-Backbone interact. energy: -0.003 local terms energy: -35.028759 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -7.038 flat angles C4'-P-C4' energy: -8.325 flat angles P-C4'-P energy: -6.492 tors. eta vs tors. theta energy: -7.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -52.387459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.387459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.387459 (E_RNA) where: Base-Base interactions energy: -20.047 where: short stacking energy: -20.047 Base-Backbone interact. energy: -0.000 local terms energy: -32.340198 where: bonds (distance) C4'-P energy: -6.656 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -5.897 flat angles P-C4'-P energy: -7.218 tors. eta vs tors. theta energy: -4.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -54.134073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.134073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.134073 (E_RNA) where: Base-Base interactions energy: -25.387 where: short stacking energy: -24.487 Base-Backbone interact. energy: -0.000 local terms energy: -28.747061 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -5.218 flat angles C4'-P-C4' energy: -5.211 flat angles P-C4'-P energy: -4.982 tors. eta vs tors. theta energy: -6.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -51.432751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.432751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.432751 (E_RNA) where: Base-Base interactions energy: -20.167 where: short stacking energy: -20.167 Base-Backbone interact. energy: -0.082 local terms energy: -31.184444 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -6.193 flat angles P-C4'-P energy: -3.765 tors. eta vs tors. theta energy: -4.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -53.648097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.648097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.648097 (E_RNA) where: Base-Base interactions energy: -21.636 where: short stacking energy: -21.636 Base-Backbone interact. energy: -0.079 local terms energy: -31.933458 where: bonds (distance) C4'-P energy: -4.426 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -8.392 flat angles P-C4'-P energy: -5.168 tors. eta vs tors. theta energy: -5.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -51.576544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.576544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.576544 (E_RNA) where: Base-Base interactions energy: -22.323 where: short stacking energy: -17.733 Base-Backbone interact. energy: 0.666 local terms energy: -29.920442 where: bonds (distance) C4'-P energy: -5.067 bonds (distance) P-C4' energy: -8.796 flat angles C4'-P-C4' energy: -6.499 flat angles P-C4'-P energy: -4.975 tors. eta vs tors. theta energy: -4.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -42.208897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.208897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.208897 (E_RNA) where: Base-Base interactions energy: -14.174 where: short stacking energy: -14.037 Base-Backbone interact. energy: -0.608 local terms energy: -27.426180 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -7.043 flat angles P-C4'-P energy: -3.199 tors. eta vs tors. theta energy: -2.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -45.611685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.611685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.611685 (E_RNA) where: Base-Base interactions energy: -14.523 where: short stacking energy: -14.523 Base-Backbone interact. energy: -0.098 local terms energy: -30.990462 where: bonds (distance) C4'-P energy: -6.834 bonds (distance) P-C4' energy: -6.305 flat angles C4'-P-C4' energy: -7.443 flat angles P-C4'-P energy: -4.753 tors. eta vs tors. theta energy: -5.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -42.941324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.941324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.941324 (E_RNA) where: Base-Base interactions energy: -15.493 where: short stacking energy: -10.979 Base-Backbone interact. energy: -0.101 local terms energy: -27.347341 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -7.444 flat angles C4'-P-C4' energy: -7.504 flat angles P-C4'-P energy: -4.994 tors. eta vs tors. theta energy: 0.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -81.479334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.479334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.479334 (E_RNA) where: Base-Base interactions energy: -48.595 where: short stacking energy: -28.183 Base-Backbone interact. energy: -0.002 local terms energy: -32.882269 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -7.206 flat angles P-C4'-P energy: -2.962 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: 2, replica: 10 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -59.586975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.586975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.586975 (E_RNA) where: Base-Base interactions energy: -26.049 where: short stacking energy: -26.049 Base-Backbone interact. energy: -0.011 local terms energy: -33.526897 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -7.392 flat angles C4'-P-C4' energy: -6.139 flat angles P-C4'-P energy: -4.216 tors. eta vs tors. theta energy: -7.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -58.040791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.040791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.040791 (E_RNA) where: Base-Base interactions energy: -23.133 where: short stacking energy: -22.421 Base-Backbone interact. energy: -0.010 local terms energy: -34.897558 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -4.397 flat angles P-C4'-P energy: -6.720 tors. eta vs tors. theta energy: -6.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -70.321551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.321551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.321551 (E_RNA) where: Base-Base interactions energy: -39.215 where: short stacking energy: -24.585 Base-Backbone interact. energy: -0.005 local terms energy: -31.102076 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -6.160 flat angles C4'-P-C4' energy: -8.857 flat angles P-C4'-P energy: -5.603 tors. eta vs tors. theta energy: -2.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -53.773512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.773512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.773512 (E_RNA) where: Base-Base interactions energy: -21.438 where: short stacking energy: -21.438 Base-Backbone interact. energy: -0.000 local terms energy: -32.335990 where: bonds (distance) C4'-P energy: -8.193 bonds (distance) P-C4' energy: -7.463 flat angles C4'-P-C4' energy: -6.252 flat angles P-C4'-P energy: -5.281 tors. eta vs tors. theta energy: -5.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -44.348253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.348253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.348253 (E_RNA) where: Base-Base interactions energy: -15.755 where: short stacking energy: -15.755 Base-Backbone interact. energy: -0.108 local terms energy: -28.485324 where: bonds (distance) C4'-P energy: -6.264 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -4.880 flat angles P-C4'-P energy: -7.317 tors. eta vs tors. theta energy: -0.962 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: 189 Temperature: 1.200000 Total energy: -42.126244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.126244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.126244 (E_RNA) where: Base-Base interactions energy: -16.012 where: short stacking energy: -16.012 Base-Backbone interact. energy: -0.064 local terms energy: -26.050411 where: bonds (distance) C4'-P energy: -5.104 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -7.334 flat angles P-C4'-P energy: -1.381 tors. eta vs tors. theta energy: -3.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -47.124655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.124655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.124655 (E_RNA) where: Base-Base interactions energy: -19.692 where: short stacking energy: -17.919 Base-Backbone interact. energy: -0.005 local terms energy: -27.427218 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.523 flat angles C4'-P-C4' energy: -5.744 flat angles P-C4'-P energy: -6.268 tors. eta vs tors. theta energy: -3.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -44.846040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.846040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.846040 (E_RNA) where: Base-Base interactions energy: -13.735 where: short stacking energy: -13.735 Base-Backbone interact. energy: -0.026 local terms energy: -31.084818 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -7.584 flat angles C4'-P-C4' energy: -7.266 flat angles P-C4'-P energy: -5.800 tors. eta vs tors. theta energy: -1.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -42.776305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.776305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.776305 (E_RNA) where: Base-Base interactions energy: -14.741 where: short stacking energy: -14.741 Base-Backbone interact. energy: -0.040 local terms energy: -27.994841 where: bonds (distance) C4'-P energy: -6.984 bonds (distance) P-C4' energy: -5.049 flat angles C4'-P-C4' energy: -5.202 flat angles P-C4'-P energy: -5.905 tors. eta vs tors. theta energy: -4.855 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: 1, replica: 10 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -65.408200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.408200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.408200 (E_RNA) where: Base-Base interactions energy: -29.435 where: short stacking energy: -29.435 Base-Backbone interact. energy: -0.000 local terms energy: -35.973346 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -8.109 flat angles C4'-P-C4' energy: -5.040 flat angles P-C4'-P energy: -5.300 tors. eta vs tors. theta energy: -9.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -61.242052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.242052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.242052 (E_RNA) where: Base-Base interactions energy: -25.700 where: short stacking energy: -20.476 Base-Backbone interact. energy: -0.144 local terms energy: -35.398784 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.618 flat angles P-C4'-P energy: -5.748 tors. eta vs tors. theta energy: -5.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -61.015502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.015502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.015502 (E_RNA) where: Base-Base interactions energy: -27.321 where: short stacking energy: -21.585 Base-Backbone interact. energy: -0.000 local terms energy: -33.693893 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -8.425 flat angles P-C4'-P energy: -5.278 tors. eta vs tors. theta energy: -4.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -59.643943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.643943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.643943 (E_RNA) where: Base-Base interactions energy: -24.816 where: short stacking energy: -24.816 Base-Backbone interact. energy: -0.000 local terms energy: -34.828257 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -7.855 flat angles P-C4'-P energy: -4.058 tors. eta vs tors. theta energy: -7.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -43.968105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.968105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.968105 (E_RNA) where: Base-Base interactions energy: -18.877 where: short stacking energy: -11.543 Base-Backbone interact. energy: 1.156 local terms energy: -26.247181 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -7.312 flat angles P-C4'-P energy: -5.699 tors. eta vs tors. theta energy: -0.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -45.941241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.941241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.941241 (E_RNA) where: Base-Base interactions energy: -17.447 where: short stacking energy: -17.447 Base-Backbone interact. energy: 0.360 local terms energy: -28.854645 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.272 flat angles P-C4'-P energy: -4.757 tors. eta vs tors. theta energy: -1.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -53.808621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.808621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.808621 (E_RNA) where: Base-Base interactions energy: -20.619 where: short stacking energy: -20.619 Base-Backbone interact. energy: -0.070 local terms energy: -33.118898 where: bonds (distance) C4'-P energy: -6.194 bonds (distance) P-C4' energy: -9.567 flat angles C4'-P-C4' energy: -8.978 flat angles P-C4'-P energy: -2.035 tors. eta vs tors. theta energy: -6.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -42.808942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.808942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.808942 (E_RNA) where: Base-Base interactions energy: -12.959 where: short stacking energy: -8.704 Base-Backbone interact. energy: -0.028 local terms energy: -29.821128 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -7.598 flat angles P-C4'-P energy: -5.117 tors. eta vs tors. theta energy: -1.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -44.817141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.817141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.817141 (E_RNA) where: Base-Base interactions energy: -15.822 where: short stacking energy: -11.470 Base-Backbone interact. energy: -0.000 local terms energy: -28.994915 where: bonds (distance) C4'-P energy: -5.734 bonds (distance) P-C4' energy: -5.427 flat angles C4'-P-C4' energy: -6.349 flat angles P-C4'-P energy: -5.360 tors. eta vs tors. theta energy: -6.125 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: 10, replica: 6 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -39.577357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.577357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.577357 (E_RNA) where: Base-Base interactions energy: -14.983 where: short stacking energy: -14.983 Base-Backbone interact. energy: -0.147 local terms energy: -24.447515 where: bonds (distance) C4'-P energy: -2.882 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.179 flat angles P-C4'-P energy: -4.344 tors. eta vs tors. theta energy: -1.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -56.376589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.376589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.376589 (E_RNA) where: Base-Base interactions energy: -24.064 where: short stacking energy: -24.064 Base-Backbone interact. energy: -0.015 local terms energy: -32.298141 where: bonds (distance) C4'-P energy: -7.340 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -8.152 flat angles P-C4'-P energy: -5.514 tors. eta vs tors. theta energy: -4.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -80.420226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.420226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.420226 (E_RNA) where: Base-Base interactions energy: -43.380 where: short stacking energy: -28.430 Base-Backbone interact. energy: -0.000 local terms energy: -37.040116 where: bonds (distance) C4'-P energy: -7.224 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.396 flat angles P-C4'-P energy: -5.806 tors. eta vs tors. theta energy: -9.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -65.259253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.259253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.259253 (E_RNA) where: Base-Base interactions energy: -30.209 where: short stacking energy: -18.285 Base-Backbone interact. energy: -0.098 local terms energy: -34.952302 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.532 flat angles P-C4'-P energy: -5.257 tors. eta vs tors. theta energy: -3.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -52.165942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.165942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.165942 (E_RNA) where: Base-Base interactions energy: -17.666 where: short stacking energy: -17.666 Base-Backbone interact. energy: -0.087 local terms energy: -34.413207 where: bonds (distance) C4'-P energy: -6.943 bonds (distance) P-C4' energy: -6.533 flat angles C4'-P-C4' energy: -7.710 flat angles P-C4'-P energy: -7.184 tors. eta vs tors. theta energy: -6.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -45.799504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.799504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.799504 (E_RNA) where: Base-Base interactions energy: -19.436 where: short stacking energy: -19.436 Base-Backbone interact. energy: -0.000 local terms energy: -26.362961 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -5.103 flat angles P-C4'-P energy: -3.980 tors. eta vs tors. theta energy: -2.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -58.177342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.177342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.177342 (E_RNA) where: Base-Base interactions energy: -26.333 where: short stacking energy: -26.333 Base-Backbone interact. energy: -0.020 local terms energy: -31.824744 where: bonds (distance) C4'-P energy: -6.310 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -6.509 flat angles P-C4'-P energy: -7.088 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: 7, replica: 4 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -49.560118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.560118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.560118 (E_RNA) where: Base-Base interactions energy: -19.781 where: short stacking energy: -19.342 Base-Backbone interact. energy: -0.090 local terms energy: -29.688897 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -6.678 flat angles P-C4'-P energy: -3.944 tors. eta vs tors. theta energy: -2.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -39.241658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.241658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.241658 (E_RNA) where: Base-Base interactions energy: -9.740 where: short stacking energy: -9.602 Base-Backbone interact. energy: -0.106 local terms energy: -29.395344 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -5.277 flat angles P-C4'-P energy: -5.214 tors. eta vs tors. theta energy: -1.184 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: 8 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -39.821993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.821993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.821993 (E_RNA) where: Base-Base interactions energy: -14.513 where: short stacking energy: -11.093 Base-Backbone interact. energy: -0.013 local terms energy: -25.295725 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -3.715 flat angles P-C4'-P energy: -5.816 tors. eta vs tors. theta energy: 0.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -45.335952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.335952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.335952 (E_RNA) where: Base-Base interactions energy: -15.185 where: short stacking energy: -15.185 Base-Backbone interact. energy: -0.425 local terms energy: -29.725889 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -8.112 flat angles C4'-P-C4' energy: -8.656 flat angles P-C4'-P energy: -3.455 tors. eta vs tors. theta energy: -1.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -70.536391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.536391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.536391 (E_RNA) where: Base-Base interactions energy: -29.019 where: short stacking energy: -29.019 Base-Backbone interact. energy: -0.000 local terms energy: -41.517609 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -9.022 flat angles P-C4'-P energy: -6.788 tors. eta vs tors. theta energy: -9.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -65.300328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.300328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.300328 (E_RNA) where: Base-Base interactions energy: -26.633 where: short stacking energy: -26.633 Base-Backbone interact. energy: -0.000 local terms energy: -38.667212 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -8.890 flat angles P-C4'-P energy: -6.462 tors. eta vs tors. theta energy: -7.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -64.259583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.259583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.259583 (E_RNA) where: Base-Base interactions energy: -32.130 where: short stacking energy: -21.381 Base-Backbone interact. energy: -0.002 local terms energy: -32.127332 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -5.602 flat angles P-C4'-P energy: -5.358 tors. eta vs tors. theta energy: -5.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -57.003745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.003745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.003745 (E_RNA) where: Base-Base interactions energy: -30.131 where: short stacking energy: -18.788 Base-Backbone interact. energy: -0.512 local terms energy: -26.360851 where: bonds (distance) C4'-P energy: -4.690 bonds (distance) P-C4' energy: -6.690 flat angles C4'-P-C4' energy: -4.916 flat angles P-C4'-P energy: -3.571 tors. eta vs tors. theta energy: -6.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -47.071591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.071591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.071591 (E_RNA) where: Base-Base interactions energy: -20.893 where: short stacking energy: -20.893 Base-Backbone interact. energy: -0.000 local terms energy: -26.178382 where: bonds (distance) C4'-P energy: -6.893 bonds (distance) P-C4' energy: -7.573 flat angles C4'-P-C4' energy: -6.770 flat angles P-C4'-P energy: -1.243 tors. eta vs tors. theta energy: -3.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -53.502783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.502783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.502783 (E_RNA) where: Base-Base interactions energy: -21.929 where: short stacking energy: -21.929 Base-Backbone interact. energy: -0.000 local terms energy: -31.573863 where: bonds (distance) C4'-P energy: -3.854 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -8.171 flat angles P-C4'-P energy: -6.348 tors. eta vs tors. theta energy: -5.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -52.221325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.221325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.221325 (E_RNA) where: Base-Base interactions energy: -25.061 where: short stacking energy: -17.948 Base-Backbone interact. energy: 0.562 local terms energy: -27.723135 where: bonds (distance) C4'-P energy: -9.161 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -8.394 flat angles P-C4'-P energy: 0.157 tors. eta vs tors. theta energy: -2.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -48.042680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.042680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.042680 (E_RNA) where: Base-Base interactions energy: -18.746 where: short stacking energy: -18.746 Base-Backbone interact. energy: -0.095 local terms energy: -29.201791 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.190 flat angles P-C4'-P energy: -2.346 tors. eta vs tors. theta energy: -3.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -47.066281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.066281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.066281 (E_RNA) where: Base-Base interactions energy: -17.906 where: short stacking energy: -17.906 Base-Backbone interact. energy: -0.000 local terms energy: -29.160329 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -5.672 flat angles C4'-P-C4' energy: -7.296 flat angles P-C4'-P energy: -3.370 tors. eta vs tors. theta energy: -4.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -42.364920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.364920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.364920 (E_RNA) where: Base-Base interactions energy: -14.930 where: short stacking energy: -9.783 Base-Backbone interact. energy: -0.007 local terms energy: -27.427914 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.791 flat angles P-C4'-P energy: -4.505 tors. eta vs tors. theta energy: 1.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -63.271610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.271610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.271610 (E_RNA) where: Base-Base interactions energy: -25.932 where: short stacking energy: -25.829 Base-Backbone interact. energy: -0.038 local terms energy: -37.300800 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.477 flat angles C4'-P-C4' energy: -8.303 flat angles P-C4'-P energy: -6.819 tors. eta vs tors. theta energy: -6.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -62.391001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.391001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.391001 (E_RNA) where: Base-Base interactions energy: -24.275 where: short stacking energy: -24.275 Base-Backbone interact. energy: -0.000 local terms energy: -38.115799 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -7.884 flat angles P-C4'-P energy: -5.400 tors. eta vs tors. theta energy: -9.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -58.466692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.466692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.466692 (E_RNA) where: Base-Base interactions energy: -25.785 where: short stacking energy: -22.828 Base-Backbone interact. energy: -0.068 local terms energy: -32.613465 where: bonds (distance) C4'-P energy: -6.280 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -5.279 flat angles P-C4'-P energy: -6.470 tors. eta vs tors. theta energy: -4.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -60.103057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.103057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.103057 (E_RNA) where: Base-Base interactions energy: -28.200 where: short stacking energy: -22.454 Base-Backbone interact. energy: -0.005 local terms energy: -31.898325 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -8.033 flat angles P-C4'-P energy: -3.844 tors. eta vs tors. theta energy: -5.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -61.557314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.557314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.557314 (E_RNA) where: Base-Base interactions energy: -27.861 where: short stacking energy: -23.150 Base-Backbone interact. energy: -0.133 local terms energy: -33.563366 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -6.580 flat angles P-C4'-P energy: -7.229 tors. eta vs tors. theta energy: -5.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -47.389201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.389201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.389201 (E_RNA) where: Base-Base interactions energy: -17.081 where: short stacking energy: -13.183 Base-Backbone interact. energy: -0.001 local terms energy: -30.307638 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.623 flat angles P-C4'-P energy: -6.250 tors. eta vs tors. theta energy: -1.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -46.680338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.680338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.680338 (E_RNA) where: Base-Base interactions energy: -17.249 where: short stacking energy: -17.249 Base-Backbone interact. energy: -0.006 local terms energy: -29.425719 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.703 flat angles P-C4'-P energy: -4.096 tors. eta vs tors. theta energy: -2.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -45.872732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.872732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.872732 (E_RNA) where: Base-Base interactions energy: -18.952 where: short stacking energy: -18.952 Base-Backbone interact. energy: -0.006 local terms energy: -26.914639 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -6.287 flat angles C4'-P-C4' energy: -7.156 flat angles P-C4'-P energy: -2.651 tors. eta vs tors. theta energy: -3.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -48.594484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.594484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.594484 (E_RNA) where: Base-Base interactions energy: -21.276 where: short stacking energy: -21.065 Base-Backbone interact. energy: -0.000 local terms energy: -27.318730 where: bonds (distance) C4'-P energy: -5.945 bonds (distance) P-C4' energy: -7.288 flat angles C4'-P-C4' energy: -5.995 flat angles P-C4'-P energy: -4.078 tors. eta vs tors. theta energy: -4.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -41.653669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.653669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.653669 (E_RNA) where: Base-Base interactions energy: -12.397 where: short stacking energy: -12.397 Base-Backbone interact. energy: -0.039 local terms energy: -29.217722 where: bonds (distance) C4'-P energy: -7.133 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -4.571 flat angles P-C4'-P energy: -5.740 tors. eta vs tors. theta energy: -2.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -65.878268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.878268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.878268 (E_RNA) where: Base-Base interactions energy: -24.819 where: short stacking energy: -24.819 Base-Backbone interact. energy: -0.000 local terms energy: -41.059122 where: bonds (distance) C4'-P energy: -9.136 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -8.206 flat angles P-C4'-P energy: -6.152 tors. eta vs tors. theta energy: -8.502 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: 1 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -61.686284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.686284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.686284 (E_RNA) where: Base-Base interactions energy: -32.447 where: short stacking energy: -31.416 Base-Backbone interact. energy: -0.001 local terms energy: -29.238091 where: bonds (distance) C4'-P energy: -6.826 bonds (distance) P-C4' energy: -7.499 flat angles C4'-P-C4' energy: -6.771 flat angles P-C4'-P energy: -1.941 tors. eta vs tors. theta energy: -6.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -59.912907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.912907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.912907 (E_RNA) where: Base-Base interactions energy: -22.756 where: short stacking energy: -22.756 Base-Backbone interact. energy: -0.001 local terms energy: -37.155776 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.230 flat angles P-C4'-P energy: -4.624 tors. eta vs tors. theta energy: -8.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -55.663533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.663533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.663533 (E_RNA) where: Base-Base interactions energy: -27.605 where: short stacking energy: -14.650 Base-Backbone interact. energy: -0.037 local terms energy: -28.021617 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -6.058 flat angles C4'-P-C4' energy: -6.991 flat angles P-C4'-P energy: -5.461 tors. eta vs tors. theta energy: -4.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -48.552683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.552683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.552683 (E_RNA) where: Base-Base interactions energy: -16.231 where: short stacking energy: -16.231 Base-Backbone interact. energy: -0.017 local terms energy: -32.304241 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.497 flat angles P-C4'-P energy: -5.176 tors. eta vs tors. theta energy: -2.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -61.078387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.078387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.078387 (E_RNA) where: Base-Base interactions energy: -36.249 where: short stacking energy: -11.727 Base-Backbone interact. energy: -0.162 local terms energy: -24.667368 where: bonds (distance) C4'-P energy: -4.546 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -7.551 flat angles P-C4'-P energy: -3.430 tors. eta vs tors. theta energy: -0.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -51.289467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.289467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.289467 (E_RNA) where: Base-Base interactions energy: -19.943 where: short stacking energy: -19.943 Base-Backbone interact. energy: -0.100 local terms energy: -31.246407 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -8.364 flat angles C4'-P-C4' energy: -5.434 flat angles P-C4'-P energy: -3.681 tors. eta vs tors. theta energy: -4.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -49.896723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.896723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.896723 (E_RNA) where: Base-Base interactions energy: -21.515 where: short stacking energy: -18.589 Base-Backbone interact. energy: -0.083 local terms energy: -28.298878 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -5.582 flat angles C4'-P-C4' energy: -5.151 flat angles P-C4'-P energy: -5.042 tors. eta vs tors. theta energy: -5.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -46.344969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.344969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.344969 (E_RNA) where: Base-Base interactions energy: -14.013 where: short stacking energy: -14.013 Base-Backbone interact. energy: -0.000 local terms energy: -32.331902 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -4.594 flat angles P-C4'-P energy: -6.254 tors. eta vs tors. theta energy: -5.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -39.526620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.526620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.526620 (E_RNA) where: Base-Base interactions energy: -13.704 where: short stacking energy: -7.666 Base-Backbone interact. energy: -0.004 local terms energy: -25.819146 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -5.154 flat angles P-C4'-P energy: -5.324 tors. eta vs tors. theta energy: 0.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -60.874379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.874379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.874379 (E_RNA) where: Base-Base interactions energy: -27.385 where: short stacking energy: -26.183 Base-Backbone interact. energy: -0.012 local terms energy: -33.478050 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -7.970 flat angles C4'-P-C4' energy: -5.151 flat angles P-C4'-P energy: -6.352 tors. eta vs tors. theta energy: -5.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -66.117464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.117464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.117464 (E_RNA) where: Base-Base interactions energy: -31.318 where: short stacking energy: -31.318 Base-Backbone interact. energy: -0.000 local terms energy: -34.798990 where: bonds (distance) C4'-P energy: -7.555 bonds (distance) P-C4' energy: -7.459 flat angles C4'-P-C4' energy: -7.235 flat angles P-C4'-P energy: -6.672 tors. eta vs tors. theta energy: -5.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -62.138813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.138813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.138813 (E_RNA) where: Base-Base interactions energy: -29.693 where: short stacking energy: -28.997 Base-Backbone interact. energy: -0.000 local terms energy: -32.445858 where: bonds (distance) C4'-P energy: -7.886 bonds (distance) P-C4' energy: -8.179 flat angles C4'-P-C4' energy: -7.097 flat angles P-C4'-P energy: -2.901 tors. eta vs tors. theta energy: -6.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -64.044945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.044945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.044945 (E_RNA) where: Base-Base interactions energy: -29.332 where: short stacking energy: -29.332 Base-Backbone interact. energy: -0.000 local terms energy: -34.713429 where: bonds (distance) C4'-P energy: -3.307 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -7.180 flat angles P-C4'-P energy: -5.090 tors. eta vs tors. theta energy: -10.528 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: 5 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -54.955978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.955978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.955978 (E_RNA) where: Base-Base interactions energy: -21.882 where: short stacking energy: -16.340 Base-Backbone interact. energy: -0.001 local terms energy: -33.073552 where: bonds (distance) C4'-P energy: -7.700 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.858 flat angles P-C4'-P energy: -3.017 tors. eta vs tors. theta energy: -4.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -48.503451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.503451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.503451 (E_RNA) where: Base-Base interactions energy: -22.499 where: short stacking energy: -22.499 Base-Backbone interact. energy: -0.001 local terms energy: -26.003339 where: bonds (distance) C4'-P energy: -5.527 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -6.082 flat angles P-C4'-P energy: -2.799 tors. eta vs tors. theta energy: -2.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -46.299817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.299817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.299817 (E_RNA) where: Base-Base interactions energy: -17.366 where: short stacking energy: -16.404 Base-Backbone interact. energy: -0.154 local terms energy: -28.779852 where: bonds (distance) C4'-P energy: -4.678 bonds (distance) P-C4' energy: -8.103 flat angles C4'-P-C4' energy: -8.320 flat angles P-C4'-P energy: -7.092 tors. eta vs tors. theta energy: -0.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -42.638675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.638675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.638675 (E_RNA) where: Base-Base interactions energy: -14.408 where: short stacking energy: -9.961 Base-Backbone interact. energy: -0.114 local terms energy: -28.116837 where: bonds (distance) C4'-P energy: -6.661 bonds (distance) P-C4' energy: -7.839 flat angles C4'-P-C4' energy: -7.251 flat angles P-C4'-P energy: -6.866 tors. eta vs tors. theta energy: 0.501 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: 9, replica: 6 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -45.307912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.307912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.307912 (E_RNA) where: Base-Base interactions energy: -15.398 where: short stacking energy: -11.021 Base-Backbone interact. energy: -0.136 local terms energy: -29.773658 where: bonds (distance) C4'-P energy: -6.777 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -8.318 flat angles P-C4'-P energy: -4.316 tors. eta vs tors. theta energy: -1.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -39.609538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.609538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.609538 (E_RNA) where: Base-Base interactions energy: -11.740 where: short stacking energy: -11.740 Base-Backbone interact. energy: -0.000 local terms energy: -27.869804 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -5.287 flat angles P-C4'-P energy: -5.141 tors. eta vs tors. theta energy: -3.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -60.479845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.479845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.479845 (E_RNA) where: Base-Base interactions energy: -23.538 where: short stacking energy: -23.538 Base-Backbone interact. energy: -0.001 local terms energy: -36.941035 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -8.547 flat angles C4'-P-C4' energy: -7.570 flat angles P-C4'-P energy: -7.062 tors. eta vs tors. theta energy: -4.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -50.968573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.968573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.968573 (E_RNA) where: Base-Base interactions energy: -21.256 where: short stacking energy: -21.256 Base-Backbone interact. energy: -0.001 local terms energy: -29.711617 where: bonds (distance) C4'-P energy: -7.090 bonds (distance) P-C4' energy: -6.134 flat angles C4'-P-C4' energy: -5.218 flat angles P-C4'-P energy: -5.463 tors. eta vs tors. theta energy: -5.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -58.900273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.900273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.900273 (E_RNA) where: Base-Base interactions energy: -24.828 where: short stacking energy: -24.828 Base-Backbone interact. energy: -0.062 local terms energy: -34.010491 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -8.588 flat angles P-C4'-P energy: -5.083 tors. eta vs tors. theta energy: -2.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -61.000182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.000182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.000182 (E_RNA) where: Base-Base interactions energy: -30.618 where: short stacking energy: -23.014 Base-Backbone interact. energy: -0.001 local terms energy: -30.380313 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -4.020 flat angles P-C4'-P energy: -5.212 tors. eta vs tors. theta energy: -6.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -51.894203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.894203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.894203 (E_RNA) where: Base-Base interactions energy: -14.596 where: short stacking energy: -14.596 Base-Backbone interact. energy: -0.024 local terms energy: -37.274177 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -7.668 flat angles P-C4'-P energy: -6.559 tors. eta vs tors. theta energy: -5.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -45.888989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.888989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.888989 (E_RNA) where: Base-Base interactions energy: -20.450 where: short stacking energy: -16.247 Base-Backbone interact. energy: -0.079 local terms energy: -25.359589 where: bonds (distance) C4'-P energy: -0.468 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -9.570 flat angles P-C4'-P energy: -3.780 tors. eta vs tors. theta energy: -2.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -45.321909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.321909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.321909 (E_RNA) where: Base-Base interactions energy: -17.711 where: short stacking energy: -15.627 Base-Backbone interact. energy: -0.088 local terms energy: -27.523007 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -5.255 flat angles C4'-P-C4' energy: -5.651 flat angles P-C4'-P energy: -4.743 tors. eta vs tors. theta energy: -3.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -41.404597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.404597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.404597 (E_RNA) where: Base-Base interactions energy: -13.204 where: short stacking energy: -13.204 Base-Backbone interact. energy: -0.103 local terms energy: -28.097581 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -4.670 flat angles P-C4'-P energy: -3.680 tors. eta vs tors. theta energy: -2.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -40.462778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.462778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.462778 (E_RNA) where: Base-Base interactions energy: -14.663 where: short stacking energy: -14.663 Base-Backbone interact. energy: -0.001 local terms energy: -25.798108 where: bonds (distance) C4'-P energy: -6.764 bonds (distance) P-C4' energy: -5.304 flat angles C4'-P-C4' energy: -7.284 flat angles P-C4'-P energy: -1.467 tors. eta vs tors. theta energy: -4.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -41.283434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.283434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.283434 (E_RNA) where: Base-Base interactions energy: -17.650 where: short stacking energy: -13.286 Base-Backbone interact. energy: -0.043 local terms energy: -23.590876 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -4.842 flat angles P-C4'-P energy: -3.639 tors. eta vs tors. theta energy: -1.500 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: 9 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -70.369174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.369174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.369174 (E_RNA) where: Base-Base interactions energy: -33.276 where: short stacking energy: -33.276 Base-Backbone interact. energy: -0.000 local terms energy: -37.093388 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -7.512 flat angles P-C4'-P energy: -5.343 tors. eta vs tors. theta energy: -9.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -57.564129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.564129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.564129 (E_RNA) where: Base-Base interactions energy: -24.018 where: short stacking energy: -24.018 Base-Backbone interact. energy: -0.008 local terms energy: -33.538166 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.919 flat angles P-C4'-P energy: -3.380 tors. eta vs tors. theta energy: -5.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -54.867656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.867656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.867656 (E_RNA) where: Base-Base interactions energy: -24.610 where: short stacking energy: -24.610 Base-Backbone interact. energy: -0.020 local terms energy: -30.237117 where: bonds (distance) C4'-P energy: -6.201 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -4.455 flat angles P-C4'-P energy: -6.544 tors. eta vs tors. theta energy: -4.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -53.959591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.959591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.959591 (E_RNA) where: Base-Base interactions energy: -25.664 where: short stacking energy: -18.573 Base-Backbone interact. energy: -0.071 local terms energy: -28.224095 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -7.455 flat angles P-C4'-P energy: -4.457 tors. eta vs tors. theta energy: -3.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -62.040473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.040473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.040473 (E_RNA) where: Base-Base interactions energy: -30.558 where: short stacking energy: -22.001 Base-Backbone interact. energy: -0.007 local terms energy: -31.474879 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -7.885 flat angles C4'-P-C4' energy: -5.775 flat angles P-C4'-P energy: -6.543 tors. eta vs tors. theta energy: -3.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -41.893890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.893890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.893890 (E_RNA) where: Base-Base interactions energy: -17.050 where: short stacking energy: -17.050 Base-Backbone interact. energy: -0.205 local terms energy: -24.638856 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -6.091 flat angles C4'-P-C4' energy: -5.792 flat angles P-C4'-P energy: -5.155 tors. eta vs tors. theta energy: 0.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -50.437414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.437414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.437414 (E_RNA) where: Base-Base interactions energy: -22.056 where: short stacking energy: -22.056 Base-Backbone interact. energy: -0.002 local terms energy: -28.379170 where: bonds (distance) C4'-P energy: -7.099 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -2.135 flat angles P-C4'-P energy: -5.798 tors. eta vs tors. theta energy: -4.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -47.277493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.277493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.277493 (E_RNA) where: Base-Base interactions energy: -16.252 where: short stacking energy: -15.555 Base-Backbone interact. energy: -0.438 local terms energy: -30.587888 where: bonds (distance) C4'-P energy: -5.961 bonds (distance) P-C4' energy: -6.480 flat angles C4'-P-C4' energy: -8.861 flat angles P-C4'-P energy: -3.271 tors. eta vs tors. theta energy: -6.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -42.544661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.544661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.544661 (E_RNA) where: Base-Base interactions energy: -15.970 where: short stacking energy: -15.970 Base-Backbone interact. energy: -0.045 local terms energy: -26.529735 where: bonds (distance) C4'-P energy: -7.936 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -5.949 flat angles P-C4'-P energy: -2.186 tors. eta vs tors. theta energy: -1.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -43.140157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.140157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.140157 (E_RNA) where: Base-Base interactions energy: -17.346 where: short stacking energy: -17.346 Base-Backbone interact. energy: -0.020 local terms energy: -25.774331 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -4.005 flat angles P-C4'-P energy: -4.033 tors. eta vs tors. theta energy: -4.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -65.016038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.016038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.016038 (E_RNA) where: Base-Base interactions energy: -27.015 where: short stacking energy: -27.015 Base-Backbone interact. energy: -0.000 local terms energy: -38.000440 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -8.899 flat angles P-C4'-P energy: -5.259 tors. eta vs tors. theta energy: -6.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -64.347098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.347098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.347098 (E_RNA) where: Base-Base interactions energy: -28.946 where: short stacking energy: -28.558 Base-Backbone interact. energy: -0.001 local terms energy: -35.399572 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -5.341 flat angles P-C4'-P energy: -6.733 tors. eta vs tors. theta energy: -7.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -67.605252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.605252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.605252 (E_RNA) where: Base-Base interactions energy: -34.217 where: short stacking energy: -18.022 Base-Backbone interact. energy: -0.046 local terms energy: -33.342273 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -8.634 flat angles P-C4'-P energy: -4.726 tors. eta vs tors. theta energy: -3.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -62.139818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.139818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.139818 (E_RNA) where: Base-Base interactions energy: -27.868 where: short stacking energy: -27.868 Base-Backbone interact. energy: -0.000 local terms energy: -34.271627 where: bonds (distance) C4'-P energy: -4.078 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -7.320 flat angles P-C4'-P energy: -3.457 tors. eta vs tors. theta energy: -11.820 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: 4 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -52.345538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.345538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.345538 (E_RNA) where: Base-Base interactions energy: -18.967 where: short stacking energy: -18.655 Base-Backbone interact. energy: -0.008 local terms energy: -33.370449 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.226 flat angles P-C4'-P energy: -4.378 tors. eta vs tors. theta energy: -5.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -56.794440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.794440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.794440 (E_RNA) where: Base-Base interactions energy: -22.961 where: short stacking energy: -22.961 Base-Backbone interact. energy: -0.002 local terms energy: -33.831550 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -4.694 flat angles P-C4'-P energy: -7.510 tors. eta vs tors. theta energy: -4.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -52.372899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.372899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.372899 (E_RNA) where: Base-Base interactions energy: -21.222 where: short stacking energy: -21.222 Base-Backbone interact. energy: -0.001 local terms energy: -31.150074 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -6.741 flat angles C4'-P-C4' energy: -7.616 flat angles P-C4'-P energy: -4.613 tors. eta vs tors. theta energy: -4.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -50.574909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.574909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.574909 (E_RNA) where: Base-Base interactions energy: -18.428 where: short stacking energy: -18.428 Base-Backbone interact. energy: -0.004 local terms energy: -32.142389 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -6.570 flat angles C4'-P-C4' energy: -8.438 flat angles P-C4'-P energy: -3.036 tors. eta vs tors. theta energy: -5.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -41.096779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.096779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.096779 (E_RNA) where: Base-Base interactions energy: -15.133 where: short stacking energy: -15.133 Base-Backbone interact. energy: -0.174 local terms energy: -25.789874 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.433 flat angles P-C4'-P energy: -2.460 tors. eta vs tors. theta energy: -2.212 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: 198 Temperature: 1.350000 Total energy: -41.548404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.548404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.548404 (E_RNA) where: Base-Base interactions energy: -19.845 where: short stacking energy: -11.485 Base-Backbone interact. energy: -0.104 local terms energy: -21.600211 where: bonds (distance) C4'-P energy: -6.929 bonds (distance) P-C4' energy: -6.272 flat angles C4'-P-C4' energy: -3.752 flat angles P-C4'-P energy: -2.070 tors. eta vs tors. theta energy: -2.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -57.583879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.583879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.583879 (E_RNA) where: Base-Base interactions energy: -24.816 where: short stacking energy: -24.816 Base-Backbone interact. energy: -0.022 local terms energy: -32.745865 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -6.497 flat angles P-C4'-P energy: -5.960 tors. eta vs tors. theta energy: -3.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -64.309448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.309448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.309448 (E_RNA) where: Base-Base interactions energy: -27.989 where: short stacking energy: -27.989 Base-Backbone interact. energy: -0.000 local terms energy: -36.319900 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -8.721 flat angles P-C4'-P energy: -4.372 tors. eta vs tors. theta energy: -7.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -60.471706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.471706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.471706 (E_RNA) where: Base-Base interactions energy: -27.140 where: short stacking energy: -21.319 Base-Backbone interact. energy: -0.001 local terms energy: -33.330064 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -8.829 flat angles P-C4'-P energy: -4.395 tors. eta vs tors. theta energy: -4.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -55.504930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.504930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.504930 (E_RNA) where: Base-Base interactions energy: -24.689 where: short stacking energy: -24.689 Base-Backbone interact. energy: -0.001 local terms energy: -30.815489 where: bonds (distance) C4'-P energy: -6.573 bonds (distance) P-C4' energy: -4.751 flat angles C4'-P-C4' energy: -7.808 flat angles P-C4'-P energy: -5.221 tors. eta vs tors. theta energy: -6.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -59.947270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.947270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.947270 (E_RNA) where: Base-Base interactions energy: -28.686 where: short stacking energy: -25.178 Base-Backbone interact. energy: -0.001 local terms energy: -31.259971 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -5.786 flat angles P-C4'-P energy: -2.529 tors. eta vs tors. theta energy: -9.175 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: 6, replica: 1 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -59.555543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.555543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.555543 (E_RNA) where: Base-Base interactions energy: -28.863 where: short stacking energy: -28.863 Base-Backbone interact. energy: -0.007 local terms energy: -30.685437 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -2.817 flat angles C4'-P-C4' energy: -7.327 flat angles P-C4'-P energy: -5.040 tors. eta vs tors. theta energy: -7.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -49.288255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.288255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.288255 (E_RNA) where: Base-Base interactions energy: -17.880 where: short stacking energy: -17.880 Base-Backbone interact. energy: -0.021 local terms energy: -31.387416 where: bonds (distance) C4'-P energy: -5.282 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.175 flat angles P-C4'-P energy: -5.498 tors. eta vs tors. theta energy: -5.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -42.351714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.351714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.351714 (E_RNA) where: Base-Base interactions energy: -15.994 where: short stacking energy: -15.994 Base-Backbone interact. energy: -0.070 local terms energy: -26.287598 where: bonds (distance) C4'-P energy: -5.439 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -6.821 flat angles P-C4'-P energy: -2.640 tors. eta vs tors. theta energy: -2.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -50.740235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.740235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.740235 (E_RNA) where: Base-Base interactions energy: -20.979 where: short stacking energy: -20.979 Base-Backbone interact. energy: -0.026 local terms energy: -29.734887 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -3.069 flat angles C4'-P-C4' energy: -7.847 flat angles P-C4'-P energy: -6.596 tors. eta vs tors. theta energy: -6.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -41.973103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.973103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.973103 (E_RNA) where: Base-Base interactions energy: -12.490 where: short stacking energy: -12.490 Base-Backbone interact. energy: -0.172 local terms energy: -29.310890 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -7.132 flat angles P-C4'-P energy: -5.471 tors. eta vs tors. theta energy: -2.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -61.957742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.957742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.957742 (E_RNA) where: Base-Base interactions energy: -30.136 where: short stacking energy: -30.136 Base-Backbone interact. energy: -0.000 local terms energy: -31.822087 where: bonds (distance) C4'-P energy: -6.036 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -7.945 flat angles P-C4'-P energy: -3.517 tors. eta vs tors. theta energy: -6.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -60.611699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.611699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.611699 (E_RNA) where: Base-Base interactions energy: -22.678 where: short stacking energy: -22.678 Base-Backbone interact. energy: -0.024 local terms energy: -37.910161 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -8.364 flat angles P-C4'-P energy: -7.209 tors. eta vs tors. theta energy: -6.044 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: 4 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -59.041581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.041581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.041581 (E_RNA) where: Base-Base interactions energy: -24.558 where: short stacking energy: -24.558 Base-Backbone interact. energy: -0.452 local terms energy: -34.031857 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -8.687 flat angles P-C4'-P energy: -3.608 tors. eta vs tors. theta energy: -4.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -60.394417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.394417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.394417 (E_RNA) where: Base-Base interactions energy: -24.675 where: short stacking energy: -24.323 Base-Backbone interact. energy: -0.000 local terms energy: -35.719046 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -5.286 flat angles P-C4'-P energy: -6.815 tors. eta vs tors. theta energy: -6.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -54.563409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.563409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.563409 (E_RNA) where: Base-Base interactions energy: -20.560 where: short stacking energy: -20.560 Base-Backbone interact. energy: -0.009 local terms energy: -33.994542 where: bonds (distance) C4'-P energy: -8.536 bonds (distance) P-C4' energy: -9.035 flat angles C4'-P-C4' energy: -6.624 flat angles P-C4'-P energy: -4.858 tors. eta vs tors. theta energy: -4.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -55.859080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.859080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.859080 (E_RNA) where: Base-Base interactions energy: -21.488 where: short stacking energy: -21.488 Base-Backbone interact. energy: -0.001 local terms energy: -34.369475 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -9.035 flat angles C4'-P-C4' energy: -7.760 flat angles P-C4'-P energy: -5.470 tors. eta vs tors. theta energy: -3.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -46.584954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.584954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.584954 (E_RNA) where: Base-Base interactions energy: -16.961 where: short stacking energy: -16.285 Base-Backbone interact. energy: -0.043 local terms energy: -29.580914 where: bonds (distance) C4'-P energy: -6.664 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.288 flat angles P-C4'-P energy: -7.148 tors. eta vs tors. theta energy: -2.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -48.804761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.804761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.804761 (E_RNA) where: Base-Base interactions energy: -18.190 where: short stacking energy: -18.190 Base-Backbone interact. energy: -0.000 local terms energy: -30.615061 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -4.782 flat angles P-C4'-P energy: -4.323 tors. eta vs tors. theta energy: -4.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -39.141584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.141584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.141584 (E_RNA) where: Base-Base interactions energy: -11.250 where: short stacking energy: -8.430 Base-Backbone interact. energy: -0.005 local terms energy: -27.887048 where: bonds (distance) C4'-P energy: -6.098 bonds (distance) P-C4' energy: -6.579 flat angles C4'-P-C4' energy: -7.986 flat angles P-C4'-P energy: -6.888 tors. eta vs tors. theta energy: -0.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -49.846985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.846985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.846985 (E_RNA) where: Base-Base interactions energy: -26.410 where: short stacking energy: -12.991 Base-Backbone interact. energy: -0.118 local terms energy: -23.318840 where: bonds (distance) C4'-P energy: -7.787 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -5.855 flat angles P-C4'-P energy: -2.819 tors. eta vs tors. theta energy: -0.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -62.937842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.937842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.937842 (E_RNA) where: Base-Base interactions energy: -28.712 where: short stacking energy: -28.712 Base-Backbone interact. energy: -0.007 local terms energy: -34.217906 where: bonds (distance) C4'-P energy: -7.446 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.637 flat angles P-C4'-P energy: -5.174 tors. eta vs tors. theta energy: -4.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -65.076588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.076588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.076588 (E_RNA) where: Base-Base interactions energy: -31.231 where: short stacking energy: -25.188 Base-Backbone interact. energy: -0.001 local terms energy: -33.845191 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -8.034 flat angles P-C4'-P energy: -2.853 tors. eta vs tors. theta energy: -7.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -61.950034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.950034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.950034 (E_RNA) where: Base-Base interactions energy: -26.859 where: short stacking energy: -26.859 Base-Backbone interact. energy: -0.008 local terms energy: -35.083885 where: bonds (distance) C4'-P energy: -7.298 bonds (distance) P-C4' energy: -7.435 flat angles C4'-P-C4' energy: -6.650 flat angles P-C4'-P energy: -7.473 tors. eta vs tors. theta energy: -6.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -60.480466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.480466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.480466 (E_RNA) where: Base-Base interactions energy: -24.339 where: short stacking energy: -24.339 Base-Backbone interact. energy: -0.000 local terms energy: -36.140837 where: bonds (distance) C4'-P energy: -8.345 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.159 flat angles P-C4'-P energy: -5.649 tors. eta vs tors. theta energy: -6.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -57.534510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.534510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.534510 (E_RNA) where: Base-Base interactions energy: -25.787 where: short stacking energy: -22.401 Base-Backbone interact. energy: -0.001 local terms energy: -31.746749 where: bonds (distance) C4'-P energy: -7.037 bonds (distance) P-C4' energy: -5.367 flat angles C4'-P-C4' energy: -7.513 flat angles P-C4'-P energy: -5.182 tors. eta vs tors. theta energy: -6.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -64.948689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.948689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.948689 (E_RNA) where: Base-Base interactions energy: -28.831 where: short stacking energy: -28.831 Base-Backbone interact. energy: -0.001 local terms energy: -36.116730 where: bonds (distance) C4'-P energy: -7.709 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -6.469 flat angles P-C4'-P energy: -6.009 tors. eta vs tors. theta energy: -8.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -53.735505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.735505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.735505 (E_RNA) where: Base-Base interactions energy: -21.763 where: short stacking energy: -21.763 Base-Backbone interact. energy: -0.001 local terms energy: -31.971549 where: bonds (distance) C4'-P energy: -3.345 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -8.112 flat angles P-C4'-P energy: -5.594 tors. eta vs tors. theta energy: -9.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -44.654595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.654595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.654595 (E_RNA) where: Base-Base interactions energy: -16.028 where: short stacking energy: -13.894 Base-Backbone interact. energy: -0.101 local terms energy: -28.526271 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -6.216 flat angles C4'-P-C4' energy: -5.432 flat angles P-C4'-P energy: -4.204 tors. eta vs tors. theta energy: -3.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -39.825022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.825022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.825022 (E_RNA) where: Base-Base interactions energy: -13.425 where: short stacking energy: -13.425 Base-Backbone interact. energy: -0.210 local terms energy: -26.190259 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -7.775 flat angles P-C4'-P energy: -5.050 tors. eta vs tors. theta energy: -0.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -38.964654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.964654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.964654 (E_RNA) where: Base-Base interactions energy: -16.384 where: short stacking energy: -16.384 Base-Backbone interact. energy: -0.003 local terms energy: -22.577656 where: bonds (distance) C4'-P energy: -2.628 bonds (distance) P-C4' energy: -4.175 flat angles C4'-P-C4' energy: -5.209 flat angles P-C4'-P energy: -4.209 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: 1, replica: 7 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -63.698258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.698258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.698258 (E_RNA) where: Base-Base interactions energy: -32.927 where: short stacking energy: -22.347 Base-Backbone interact. energy: -0.014 local terms energy: -30.757848 where: bonds (distance) C4'-P energy: -5.625 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.916 flat angles P-C4'-P energy: -5.275 tors. eta vs tors. theta energy: -2.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -68.061056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.061056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.061056 (E_RNA) where: Base-Base interactions energy: -30.954 where: short stacking energy: -30.954 Base-Backbone interact. energy: -0.000 local terms energy: -37.106962 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -8.109 flat angles C4'-P-C4' energy: -6.764 flat angles P-C4'-P energy: -4.808 tors. eta vs tors. theta energy: -9.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -66.574820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.574820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.574820 (E_RNA) where: Base-Base interactions energy: -34.319 where: short stacking energy: -25.172 Base-Backbone interact. energy: -0.000 local terms energy: -32.255468 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -8.038 flat angles P-C4'-P energy: -2.641 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: 4, replica: 2 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -52.926815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.926815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.926815 (E_RNA) where: Base-Base interactions energy: -19.994 where: short stacking energy: -19.994 Base-Backbone interact. energy: -0.174 local terms energy: -32.758532 where: bonds (distance) C4'-P energy: -7.361 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -7.070 flat angles P-C4'-P energy: -4.480 tors. eta vs tors. theta energy: -5.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -58.384595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.384595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.384595 (E_RNA) where: Base-Base interactions energy: -26.396 where: short stacking energy: -26.396 Base-Backbone interact. energy: -0.077 local terms energy: -31.911569 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.803 flat angles P-C4'-P energy: -2.623 tors. eta vs tors. theta energy: -7.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -53.061708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.061708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.061708 (E_RNA) where: Base-Base interactions energy: -21.963 where: short stacking energy: -21.963 Base-Backbone interact. energy: -0.001 local terms energy: -31.097698 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -6.379 flat angles P-C4'-P energy: -4.280 tors. eta vs tors. theta energy: -3.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -60.008629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.008629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.008629 (E_RNA) where: Base-Base interactions energy: -22.331 where: short stacking energy: -22.331 Base-Backbone interact. energy: -0.000 local terms energy: -37.677743 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -8.280 flat angles C4'-P-C4' energy: -5.662 flat angles P-C4'-P energy: -5.948 tors. eta vs tors. theta energy: -9.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -46.152560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.152560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.152560 (E_RNA) where: Base-Base interactions energy: -17.061 where: short stacking energy: -17.061 Base-Backbone interact. energy: -0.004 local terms energy: -29.087150 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -6.809 flat angles C4'-P-C4' energy: -4.779 flat angles P-C4'-P energy: -5.765 tors. eta vs tors. theta energy: -3.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -44.667784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.667784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.667784 (E_RNA) where: Base-Base interactions energy: -18.920 where: short stacking energy: -18.920 Base-Backbone interact. energy: -0.002 local terms energy: -25.744821 where: bonds (distance) C4'-P energy: -5.564 bonds (distance) P-C4' energy: -6.051 flat angles C4'-P-C4' energy: -7.608 flat angles P-C4'-P energy: -2.192 tors. eta vs tors. theta energy: -4.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -41.724521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.724521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.724521 (E_RNA) where: Base-Base interactions energy: -17.043 where: short stacking energy: -17.043 Base-Backbone interact. energy: -0.070 local terms energy: -24.611813 where: bonds (distance) C4'-P energy: -6.512 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -2.980 flat angles P-C4'-P energy: -3.225 tors. eta vs tors. theta energy: -4.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -65.346264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.346264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.346264 (E_RNA) where: Base-Base interactions energy: -33.930 where: short stacking energy: -16.604 Base-Backbone interact. energy: -0.012 local terms energy: -31.403974 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.117 flat angles P-C4'-P energy: -4.479 tors. eta vs tors. theta energy: -2.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -78.239365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.239365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.239365 (E_RNA) where: Base-Base interactions energy: -44.747 where: short stacking energy: -25.923 Base-Backbone interact. energy: -0.000 local terms energy: -33.492201 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -6.488 flat angles P-C4'-P energy: -5.912 tors. eta vs tors. theta energy: -6.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -61.267590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.267590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.267590 (E_RNA) where: Base-Base interactions energy: -26.929 where: short stacking energy: -15.233 Base-Backbone interact. energy: -0.001 local terms energy: -34.337509 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -8.432 flat angles P-C4'-P energy: -6.110 tors. eta vs tors. theta energy: -3.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -55.754429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.754429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.754429 (E_RNA) where: Base-Base interactions energy: -20.879 where: short stacking energy: -20.879 Base-Backbone interact. energy: -0.082 local terms energy: -34.794017 where: bonds (distance) C4'-P energy: -6.488 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -7.796 flat angles P-C4'-P energy: -5.293 tors. eta vs tors. theta energy: -7.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -45.245475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.245475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.245475 (E_RNA) where: Base-Base interactions energy: -17.191 where: short stacking energy: -12.684 Base-Backbone interact. energy: 1.546 local terms energy: -29.600957 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -6.439 flat angles C4'-P-C4' energy: -6.596 flat angles P-C4'-P energy: -5.709 tors. eta vs tors. theta energy: -3.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -54.891635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.891635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.891635 (E_RNA) where: Base-Base interactions energy: -22.958 where: short stacking energy: -22.958 Base-Backbone interact. energy: -0.094 local terms energy: -31.839949 where: bonds (distance) C4'-P energy: -4.446 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -8.076 flat angles P-C4'-P energy: -5.471 tors. eta vs tors. theta energy: -5.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -53.289039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.289039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.289039 (E_RNA) where: Base-Base interactions energy: -18.769 where: short stacking energy: -18.769 Base-Backbone interact. energy: -0.002 local terms energy: -34.518565 where: bonds (distance) C4'-P energy: -8.086 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -8.527 flat angles P-C4'-P energy: -4.623 tors. eta vs tors. theta energy: -6.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -47.330945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.330945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.330945 (E_RNA) where: Base-Base interactions energy: -18.749 where: short stacking energy: -18.749 Base-Backbone interact. energy: -0.037 local terms energy: -28.545055 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -5.288 flat angles C4'-P-C4' energy: -5.905 flat angles P-C4'-P energy: -4.370 tors. eta vs tors. theta energy: -4.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -40.599082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.599082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.599082 (E_RNA) where: Base-Base interactions energy: -13.699 where: short stacking energy: -13.699 Base-Backbone interact. energy: -0.201 local terms energy: -26.698650 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -7.439 flat angles P-C4'-P energy: -5.243 tors. eta vs tors. theta energy: -0.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -41.582355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.582355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.582355 (E_RNA) where: Base-Base interactions energy: -12.453 where: short stacking energy: -7.013 Base-Backbone interact. energy: -0.068 local terms energy: -29.061399 where: bonds (distance) C4'-P energy: -6.019 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -6.785 flat angles P-C4'-P energy: -6.615 tors. eta vs tors. theta energy: -1.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -82.163949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.163949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.163949 (E_RNA) where: Base-Base interactions energy: -44.643 where: short stacking energy: -26.810 Base-Backbone interact. energy: -0.009 local terms energy: -37.511696 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -8.494 flat angles P-C4'-P energy: -7.008 tors. eta vs tors. theta energy: -6.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -62.031182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.031182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.031182 (E_RNA) where: Base-Base interactions energy: -23.607 where: short stacking energy: -23.607 Base-Backbone interact. energy: -0.003 local terms energy: -38.421158 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -7.668 flat angles P-C4'-P energy: -5.410 tors. eta vs tors. theta energy: -7.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -67.395206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.395206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.395206 (E_RNA) where: Base-Base interactions energy: -39.457 where: short stacking energy: -24.248 Base-Backbone interact. energy: -0.002 local terms energy: -27.935686 where: bonds (distance) C4'-P energy: -2.670 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -8.453 flat angles P-C4'-P energy: -4.780 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: 4, replica: 10 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -55.651254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.651254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.651254 (E_RNA) where: Base-Base interactions energy: -20.380 where: short stacking energy: -20.380 Base-Backbone interact. energy: -0.001 local terms energy: -35.270109 where: bonds (distance) C4'-P energy: -6.400 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.944 flat angles P-C4'-P energy: -4.133 tors. eta vs tors. theta energy: -7.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -49.727018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.727018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.727018 (E_RNA) where: Base-Base interactions energy: -25.965 where: short stacking energy: -14.306 Base-Backbone interact. energy: -0.184 local terms energy: -23.578099 where: bonds (distance) C4'-P energy: -6.690 bonds (distance) P-C4' energy: -6.834 flat angles C4'-P-C4' energy: -3.876 flat angles P-C4'-P energy: -5.714 tors. eta vs tors. theta energy: -0.465 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: 2 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -53.662794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.662794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.662794 (E_RNA) where: Base-Base interactions energy: -25.729 where: short stacking energy: -13.637 Base-Backbone interact. energy: -0.011 local terms energy: -27.923266 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -6.262 flat angles P-C4'-P energy: -3.920 tors. eta vs tors. theta energy: -1.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -54.768276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.768276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.768276 (E_RNA) where: Base-Base interactions energy: -20.592 where: short stacking energy: -20.592 Base-Backbone interact. energy: -0.000 local terms energy: -34.176417 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -6.839 flat angles P-C4'-P energy: -5.638 tors. eta vs tors. theta energy: -6.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -38.909601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.909601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.909601 (E_RNA) where: Base-Base interactions energy: -19.001 where: short stacking energy: -18.843 Base-Backbone interact. energy: -0.005 local terms energy: -19.903319 where: bonds (distance) C4'-P energy: -5.470 bonds (distance) P-C4' energy: -5.299 flat angles C4'-P-C4' energy: -7.721 flat angles P-C4'-P energy: -2.721 tors. eta vs tors. theta energy: 1.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -48.217588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.217588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.217588 (E_RNA) where: Base-Base interactions energy: -18.878 where: short stacking energy: -17.846 Base-Backbone interact. energy: -0.003 local terms energy: -29.336709 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -8.658 flat angles P-C4'-P energy: -5.727 tors. eta vs tors. theta energy: -1.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -40.295349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.295349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.295349 (E_RNA) where: Base-Base interactions energy: -18.772 where: short stacking energy: -18.108 Base-Backbone interact. energy: -0.003 local terms energy: -21.520262 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -7.889 flat angles C4'-P-C4' energy: -2.945 flat angles P-C4'-P energy: 0.368 tors. eta vs tors. theta energy: -2.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -82.617721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.617721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.617721 (E_RNA) where: Base-Base interactions energy: -48.225 where: short stacking energy: -27.062 Base-Backbone interact. energy: -0.065 local terms energy: -34.327461 where: bonds (distance) C4'-P energy: -7.037 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -8.341 flat angles P-C4'-P energy: -4.045 tors. eta vs tors. theta energy: -6.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -58.645638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.645638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.645638 (E_RNA) where: Base-Base interactions energy: -24.196 where: short stacking energy: -24.196 Base-Backbone interact. energy: -0.001 local terms energy: -34.448655 where: bonds (distance) C4'-P energy: -5.890 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -9.098 flat angles P-C4'-P energy: -6.259 tors. eta vs tors. theta energy: -4.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -49.625026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.625026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.625026 (E_RNA) where: Base-Base interactions energy: -20.281 where: short stacking energy: -13.309 Base-Backbone interact. energy: -0.028 local terms energy: -29.315424 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -7.015 flat angles P-C4'-P energy: -4.834 tors. eta vs tors. theta energy: -1.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -53.484896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.484896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.484896 (E_RNA) where: Base-Base interactions energy: -23.233 where: short stacking energy: -22.792 Base-Backbone interact. energy: -0.008 local terms energy: -30.243572 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -5.462 flat angles C4'-P-C4' energy: -7.930 flat angles P-C4'-P energy: -4.482 tors. eta vs tors. theta energy: -3.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -51.259979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.259979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.259979 (E_RNA) where: Base-Base interactions energy: -18.164 where: short stacking energy: -18.164 Base-Backbone interact. energy: -0.001 local terms energy: -33.094898 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -9.007 flat angles P-C4'-P energy: -3.859 tors. eta vs tors. theta energy: -2.135 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: 205 Temperature: 1.150000 Total energy: -45.962298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.962298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.962298 (E_RNA) where: Base-Base interactions energy: -14.053 where: short stacking energy: -11.204 Base-Backbone interact. energy: -0.381 local terms energy: -31.528329 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -7.634 flat angles P-C4'-P energy: -6.518 tors. eta vs tors. theta energy: -1.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -41.049562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.049562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.049562 (E_RNA) where: Base-Base interactions energy: -15.772 where: short stacking energy: -9.626 Base-Backbone interact. energy: -0.049 local terms energy: -25.228785 where: bonds (distance) C4'-P energy: -6.583 bonds (distance) P-C4' energy: -8.792 flat angles C4'-P-C4' energy: -7.344 flat angles P-C4'-P energy: -1.966 tors. eta vs tors. theta energy: -0.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -45.719056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.719056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.719056 (E_RNA) where: Base-Base interactions energy: -15.996 where: short stacking energy: -15.841 Base-Backbone interact. energy: -0.738 local terms energy: -28.984469 where: bonds (distance) C4'-P energy: -6.852 bonds (distance) P-C4' energy: -7.830 flat angles C4'-P-C4' energy: -5.578 flat angles P-C4'-P energy: -3.527 tors. eta vs tors. theta energy: -5.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -47.332562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.332562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.332562 (E_RNA) where: Base-Base interactions energy: -18.405 where: short stacking energy: -11.453 Base-Backbone interact. energy: -0.002 local terms energy: -28.925271 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -6.119 flat angles P-C4'-P energy: -6.517 tors. eta vs tors. theta energy: -0.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -41.366636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.366636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.366636 (E_RNA) where: Base-Base interactions energy: -16.059 where: short stacking energy: -16.059 Base-Backbone interact. energy: -0.031 local terms energy: -25.276700 where: bonds (distance) C4'-P energy: -4.736 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -4.592 flat angles P-C4'-P energy: -4.991 tors. eta vs tors. theta energy: -2.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -61.712761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.712761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.712761 (E_RNA) where: Base-Base interactions energy: -26.739 where: short stacking energy: -26.739 Base-Backbone interact. energy: -0.000 local terms energy: -34.973369 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -7.290 flat angles C4'-P-C4' energy: -7.628 flat angles P-C4'-P energy: -6.723 tors. eta vs tors. theta energy: -6.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -63.169528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.169528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.169528 (E_RNA) where: Base-Base interactions energy: -25.507 where: short stacking energy: -25.507 Base-Backbone interact. energy: -0.001 local terms energy: -37.661427 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.854 flat angles P-C4'-P energy: -5.572 tors. eta vs tors. theta energy: -6.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -54.020821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.020821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.020821 (E_RNA) where: Base-Base interactions energy: -19.970 where: short stacking energy: -19.970 Base-Backbone interact. energy: -0.020 local terms energy: -34.031294 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -7.177 flat angles P-C4'-P energy: -3.918 tors. eta vs tors. theta energy: -6.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -62.726760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.726760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.726760 (E_RNA) where: Base-Base interactions energy: -26.973 where: short stacking energy: -26.973 Base-Backbone interact. energy: -0.000 local terms energy: -35.753619 where: bonds (distance) C4'-P energy: -6.513 bonds (distance) P-C4' energy: -7.520 flat angles C4'-P-C4' energy: -8.197 flat angles P-C4'-P energy: -5.494 tors. eta vs tors. theta energy: -8.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -46.332764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.332764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.332764 (E_RNA) where: Base-Base interactions energy: -15.817 where: short stacking energy: -15.817 Base-Backbone interact. energy: -0.007 local terms energy: -30.508879 where: bonds (distance) C4'-P energy: -8.644 bonds (distance) P-C4' energy: -7.259 flat angles C4'-P-C4' energy: -6.189 flat angles P-C4'-P energy: -4.016 tors. eta vs tors. theta energy: -4.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -54.645754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.645754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.645754 (E_RNA) where: Base-Base interactions energy: -22.981 where: short stacking energy: -11.793 Base-Backbone interact. energy: -0.036 local terms energy: -31.628794 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.967 flat angles C4'-P-C4' energy: -8.530 flat angles P-C4'-P energy: -5.648 tors. eta vs tors. theta energy: -4.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -44.464837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.464837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.464837 (E_RNA) where: Base-Base interactions energy: -13.582 where: short stacking energy: -13.582 Base-Backbone interact. energy: -0.066 local terms energy: -30.816938 where: bonds (distance) C4'-P energy: -7.399 bonds (distance) P-C4' energy: -8.771 flat angles C4'-P-C4' energy: -7.232 flat angles P-C4'-P energy: -3.311 tors. eta vs tors. theta energy: -4.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -51.083437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.083437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.083437 (E_RNA) where: Base-Base interactions energy: -20.506 where: short stacking energy: -13.107 Base-Backbone interact. energy: 0.103 local terms energy: -30.679892 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -6.603 flat angles P-C4'-P energy: -6.594 tors. eta vs tors. theta energy: -2.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -47.230136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.230136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.230136 (E_RNA) where: Base-Base interactions energy: -16.998 where: short stacking energy: -16.098 Base-Backbone interact. energy: -0.021 local terms energy: -30.211077 where: bonds (distance) C4'-P energy: -6.901 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -6.001 flat angles P-C4'-P energy: -4.053 tors. eta vs tors. theta energy: -5.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -44.548801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.548801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.548801 (E_RNA) where: Base-Base interactions energy: -16.600 where: short stacking energy: -14.251 Base-Backbone interact. energy: -0.457 local terms energy: -27.492319 where: bonds (distance) C4'-P energy: -6.728 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -7.570 flat angles P-C4'-P energy: -3.750 tors. eta vs tors. theta energy: -3.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -76.493946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.493946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.493946 (E_RNA) where: Base-Base interactions energy: -37.875 where: short stacking energy: -31.359 Base-Backbone interact. energy: -0.001 local terms energy: -38.617796 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -7.009 flat angles P-C4'-P energy: -4.650 tors. eta vs tors. theta energy: -10.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -58.378686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.378686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.378686 (E_RNA) where: Base-Base interactions energy: -21.019 where: short stacking energy: -21.019 Base-Backbone interact. energy: -0.094 local terms energy: -37.266060 where: bonds (distance) C4'-P energy: -7.203 bonds (distance) P-C4' energy: -9.073 flat angles C4'-P-C4' energy: -7.220 flat angles P-C4'-P energy: -5.686 tors. eta vs tors. theta energy: -8.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -54.629837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.629837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.629837 (E_RNA) where: Base-Base interactions energy: -21.394 where: short stacking energy: -19.725 Base-Backbone interact. energy: -0.573 local terms energy: -32.663046 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -8.742 flat angles P-C4'-P energy: -5.115 tors. eta vs tors. theta energy: -4.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -55.520994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.520994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.520994 (E_RNA) where: Base-Base interactions energy: -22.136 where: short stacking energy: -22.136 Base-Backbone interact. energy: -0.000 local terms energy: -33.385092 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -8.600 flat angles C4'-P-C4' energy: -6.485 flat angles P-C4'-P energy: -5.453 tors. eta vs tors. theta energy: -5.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -59.977574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.977574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.977574 (E_RNA) where: Base-Base interactions energy: -25.300 where: short stacking energy: -19.738 Base-Backbone interact. energy: -0.611 local terms energy: -34.066933 where: bonds (distance) C4'-P energy: -7.223 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.065 flat angles P-C4'-P energy: -4.690 tors. eta vs tors. theta energy: -4.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -54.600801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.600801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.600801 (E_RNA) where: Base-Base interactions energy: -27.435 where: short stacking energy: -17.061 Base-Backbone interact. energy: -0.072 local terms energy: -27.093597 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -4.854 flat angles C4'-P-C4' energy: -7.270 flat angles P-C4'-P energy: -3.892 tors. eta vs tors. theta energy: -3.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -48.197052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.197052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.197052 (E_RNA) where: Base-Base interactions energy: -19.914 where: short stacking energy: -19.914 Base-Backbone interact. energy: -0.097 local terms energy: -28.185697 where: bonds (distance) C4'-P energy: -6.863 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -7.347 flat angles P-C4'-P energy: -3.972 tors. eta vs tors. theta energy: -3.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -50.573011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.573011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.573011 (E_RNA) where: Base-Base interactions energy: -21.245 where: short stacking energy: -21.245 Base-Backbone interact. energy: -0.004 local terms energy: -29.324288 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -5.201 flat angles P-C4'-P energy: -6.006 tors. eta vs tors. theta energy: -3.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -49.108411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.108411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.108411 (E_RNA) where: Base-Base interactions energy: -16.033 where: short stacking energy: -14.843 Base-Backbone interact. energy: -0.076 local terms energy: -32.999175 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -5.885 flat angles P-C4'-P energy: -3.032 tors. eta vs tors. theta energy: -6.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -42.253131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.253131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.253131 (E_RNA) where: Base-Base interactions energy: -15.791 where: short stacking energy: -13.177 Base-Backbone interact. energy: -0.553 local terms energy: -25.908904 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -7.584 flat angles C4'-P-C4' energy: -4.382 flat angles P-C4'-P energy: -5.125 tors. eta vs tors. theta energy: -0.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -76.840381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.840381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.840381 (E_RNA) where: Base-Base interactions energy: -36.854 where: short stacking energy: -31.806 Base-Backbone interact. energy: -0.000 local terms energy: -39.986349 where: bonds (distance) C4'-P energy: -6.404 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -9.095 flat angles P-C4'-P energy: -6.688 tors. eta vs tors. theta energy: -8.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -54.378596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.378596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.378596 (E_RNA) where: Base-Base interactions energy: -26.901 where: short stacking energy: -26.901 Base-Backbone interact. energy: -0.005 local terms energy: -27.472514 where: bonds (distance) C4'-P energy: -3.054 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -8.079 flat angles P-C4'-P energy: -3.658 tors. eta vs tors. theta energy: -5.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -51.153019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.153019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.153019 (E_RNA) where: Base-Base interactions energy: -18.620 where: short stacking energy: -18.620 Base-Backbone interact. energy: -0.010 local terms energy: -32.523647 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -8.690 flat angles P-C4'-P energy: -6.261 tors. eta vs tors. theta energy: 0.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -52.099334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.099334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.099334 (E_RNA) where: Base-Base interactions energy: -23.181 where: short stacking energy: -23.181 Base-Backbone interact. energy: -0.008 local terms energy: -28.910583 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -5.843 flat angles C4'-P-C4' energy: -7.906 flat angles P-C4'-P energy: -3.396 tors. eta vs tors. theta energy: -3.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -55.639818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.639818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.639818 (E_RNA) where: Base-Base interactions energy: -28.961 where: short stacking energy: -18.946 Base-Backbone interact. energy: -0.004 local terms energy: -26.675126 where: bonds (distance) C4'-P energy: -8.200 bonds (distance) P-C4' energy: -6.817 flat angles C4'-P-C4' energy: -7.529 flat angles P-C4'-P energy: -2.083 tors. eta vs tors. theta energy: -2.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -47.410101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.410101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.410101 (E_RNA) where: Base-Base interactions energy: -20.462 where: short stacking energy: -20.462 Base-Backbone interact. energy: -0.150 local terms energy: -26.797195 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -7.987 flat angles P-C4'-P energy: -5.636 tors. eta vs tors. theta energy: 1.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -47.725353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.725353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.725353 (E_RNA) where: Base-Base interactions energy: -24.634 where: short stacking energy: -24.634 Base-Backbone interact. energy: -0.000 local terms energy: -23.091452 where: bonds (distance) C4'-P energy: -5.858 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -2.891 flat angles P-C4'-P energy: -4.478 tors. eta vs tors. theta energy: -3.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -51.130611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.130611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.130611 (E_RNA) where: Base-Base interactions energy: -19.448 where: short stacking energy: -19.448 Base-Backbone interact. energy: -0.045 local terms energy: -31.637755 where: bonds (distance) C4'-P energy: -7.319 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -7.631 flat angles P-C4'-P energy: -3.267 tors. eta vs tors. theta energy: -5.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -44.419684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.419684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.419684 (E_RNA) where: Base-Base interactions energy: -17.227 where: short stacking energy: -17.227 Base-Backbone interact. energy: -0.001 local terms energy: -27.191573 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -6.843 flat angles C4'-P-C4' energy: -5.619 flat angles P-C4'-P energy: -2.743 tors. eta vs tors. theta energy: -3.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -39.169269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.169269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.169269 (E_RNA) where: Base-Base interactions energy: -17.856 where: short stacking energy: -17.216 Base-Backbone interact. energy: -0.097 local terms energy: -21.216185 where: bonds (distance) C4'-P energy: -3.382 bonds (distance) P-C4' energy: -5.302 flat angles C4'-P-C4' energy: -5.330 flat angles P-C4'-P energy: -4.752 tors. eta vs tors. theta energy: -2.450 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: 1, replica: 4 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -63.076278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.076278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.076278 (E_RNA) where: Base-Base interactions energy: -32.024 where: short stacking energy: -18.233 Base-Backbone interact. energy: -0.001 local terms energy: -31.050999 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -8.118 flat angles P-C4'-P energy: -3.894 tors. eta vs tors. theta energy: -1.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -58.913887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.913887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.913887 (E_RNA) where: Base-Base interactions energy: -25.516 where: short stacking energy: -25.293 Base-Backbone interact. energy: -0.013 local terms energy: -33.385114 where: bonds (distance) C4'-P energy: -7.046 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.984 flat angles P-C4'-P energy: -5.375 tors. eta vs tors. theta energy: -5.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -56.532792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.532792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.532792 (E_RNA) where: Base-Base interactions energy: -26.003 where: short stacking energy: -21.580 Base-Backbone interact. energy: -0.009 local terms energy: -30.521434 where: bonds (distance) C4'-P energy: -7.568 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -7.519 flat angles P-C4'-P energy: -4.909 tors. eta vs tors. theta energy: -2.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -58.511231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.511231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.511231 (E_RNA) where: Base-Base interactions energy: -24.913 where: short stacking energy: -21.649 Base-Backbone interact. energy: -0.000 local terms energy: -33.598083 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.936 flat angles P-C4'-P energy: -1.801 tors. eta vs tors. theta energy: -6.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -48.429275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.429275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.429275 (E_RNA) where: Base-Base interactions energy: -20.701 where: short stacking energy: -16.333 Base-Backbone interact. energy: -0.001 local terms energy: -27.726707 where: bonds (distance) C4'-P energy: -5.249 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.955 flat angles P-C4'-P energy: -3.444 tors. eta vs tors. theta energy: -1.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -50.729554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.729554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.729554 (E_RNA) where: Base-Base interactions energy: -19.457 where: short stacking energy: -19.457 Base-Backbone interact. energy: -0.007 local terms energy: -31.265603 where: bonds (distance) C4'-P energy: -7.625 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -4.818 flat angles P-C4'-P energy: -4.968 tors. eta vs tors. theta energy: -5.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -50.420326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.420326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.420326 (E_RNA) where: Base-Base interactions energy: -19.858 where: short stacking energy: -16.994 Base-Backbone interact. energy: -0.041 local terms energy: -30.521527 where: bonds (distance) C4'-P energy: -7.729 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -6.306 flat angles P-C4'-P energy: -4.989 tors. eta vs tors. theta energy: -1.912 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: 9 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -46.338814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.338814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.338814 (E_RNA) where: Base-Base interactions energy: -16.945 where: short stacking energy: -14.886 Base-Backbone interact. energy: -0.066 local terms energy: -29.327686 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.378 flat angles P-C4'-P energy: -3.266 tors. eta vs tors. theta energy: -3.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -43.508762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.508762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.508762 (E_RNA) where: Base-Base interactions energy: -15.780 where: short stacking energy: -15.780 Base-Backbone interact. energy: -0.338 local terms energy: -27.390605 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -7.925 flat angles C4'-P-C4' energy: -4.055 flat angles P-C4'-P energy: -5.178 tors. eta vs tors. theta energy: -1.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -43.778490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.778490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.778490 (E_RNA) where: Base-Base interactions energy: -14.673 where: short stacking energy: -8.502 Base-Backbone interact. energy: -0.192 local terms energy: -28.913104 where: bonds (distance) C4'-P energy: -9.020 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -5.082 flat angles P-C4'-P energy: -4.402 tors. eta vs tors. theta energy: -1.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -51.419936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.419936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.419936 (E_RNA) where: Base-Base interactions energy: -17.778 where: short stacking energy: -17.778 Base-Backbone interact. energy: -0.032 local terms energy: -33.609153 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.065 flat angles P-C4'-P energy: -5.505 tors. eta vs tors. theta energy: -2.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -58.071902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.071902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.071902 (E_RNA) where: Base-Base interactions energy: -26.655 where: short stacking energy: -9.121 Base-Backbone interact. energy: -0.241 local terms energy: -31.176021 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.524 flat angles P-C4'-P energy: -5.372 tors. eta vs tors. theta energy: -0.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -64.846623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.846623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.846623 (E_RNA) where: Base-Base interactions energy: -30.599 where: short stacking energy: -30.599 Base-Backbone interact. energy: 0.353 local terms energy: -34.600244 where: bonds (distance) C4'-P energy: -7.196 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -8.280 flat angles P-C4'-P energy: -3.139 tors. eta vs tors. theta energy: -8.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -48.652767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.652767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.652767 (E_RNA) where: Base-Base interactions energy: -17.825 where: short stacking energy: -17.825 Base-Backbone interact. energy: -0.001 local terms energy: -30.826740 where: bonds (distance) C4'-P energy: -6.780 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -7.687 flat angles P-C4'-P energy: -5.678 tors. eta vs tors. theta energy: -4.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -57.554354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.554354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.554354 (E_RNA) where: Base-Base interactions energy: -21.375 where: short stacking energy: -21.375 Base-Backbone interact. energy: -0.000 local terms energy: -36.179157 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -8.792 flat angles C4'-P-C4' energy: -6.596 flat angles P-C4'-P energy: -7.053 tors. eta vs tors. theta energy: -5.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -53.734888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.734888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.734888 (E_RNA) where: Base-Base interactions energy: -24.530 where: short stacking energy: -14.186 Base-Backbone interact. energy: -0.002 local terms energy: -29.202300 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -6.826 flat angles P-C4'-P energy: -5.191 tors. eta vs tors. theta energy: -1.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -49.426939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.426939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.426939 (E_RNA) where: Base-Base interactions energy: -20.207 where: short stacking energy: -20.207 Base-Backbone interact. energy: -0.049 local terms energy: -29.170976 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -7.340 flat angles C4'-P-C4' energy: -3.646 flat angles P-C4'-P energy: -5.514 tors. eta vs tors. theta energy: -4.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -44.779874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.779874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.779874 (E_RNA) where: Base-Base interactions energy: -18.442 where: short stacking energy: -16.259 Base-Backbone interact. energy: -0.081 local terms energy: -26.256831 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -7.741 flat angles P-C4'-P energy: -2.308 tors. eta vs tors. theta energy: -3.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -44.233242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.233242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.233242 (E_RNA) where: Base-Base interactions energy: -16.200 where: short stacking energy: -16.200 Base-Backbone interact. energy: -0.003 local terms energy: -28.030789 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -5.818 flat angles C4'-P-C4' energy: -7.326 flat angles P-C4'-P energy: -3.748 tors. eta vs tors. theta energy: -3.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -39.338700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.338700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.338700 (E_RNA) where: Base-Base interactions energy: -17.638 where: short stacking energy: -13.496 Base-Backbone interact. energy: 0.241 local terms energy: -21.941501 where: bonds (distance) C4'-P energy: -3.067 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.762 flat angles P-C4'-P energy: -2.704 tors. eta vs tors. theta energy: -1.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -66.707144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.707144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.707144 (E_RNA) where: Base-Base interactions energy: -34.612 where: short stacking energy: -27.562 Base-Backbone interact. energy: -0.000 local terms energy: -32.094856 where: bonds (distance) C4'-P energy: -7.074 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -7.479 flat angles P-C4'-P energy: -4.213 tors. eta vs tors. theta energy: -4.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -60.584051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.584051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.584051 (E_RNA) where: Base-Base interactions energy: -33.160 where: short stacking energy: -28.093 Base-Backbone interact. energy: -0.012 local terms energy: -27.411444 where: bonds (distance) C4'-P energy: -3.579 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -6.856 flat angles P-C4'-P energy: -4.853 tors. eta vs tors. theta energy: -5.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -55.678906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.678906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.678906 (E_RNA) where: Base-Base interactions energy: -27.389 where: short stacking energy: -22.356 Base-Backbone interact. energy: 0.211 local terms energy: -28.500123 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -7.262 flat angles C4'-P-C4' energy: -6.540 flat angles P-C4'-P energy: -3.713 tors. eta vs tors. theta energy: -3.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -55.823436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.823436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.823436 (E_RNA) where: Base-Base interactions energy: -21.996 where: short stacking energy: -21.996 Base-Backbone interact. energy: -0.006 local terms energy: -33.821227 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -7.181 flat angles C4'-P-C4' energy: -7.381 flat angles P-C4'-P energy: -5.154 tors. eta vs tors. theta energy: -5.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -50.050122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.050122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.050122 (E_RNA) where: Base-Base interactions energy: -17.403 where: short stacking energy: -16.395 Base-Backbone interact. energy: -0.008 local terms energy: -32.639205 where: bonds (distance) C4'-P energy: -6.938 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -8.596 flat angles P-C4'-P energy: -4.861 tors. eta vs tors. theta energy: -4.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -50.276991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.276991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.276991 (E_RNA) where: Base-Base interactions energy: -25.723 where: short stacking energy: -19.376 Base-Backbone interact. energy: -0.007 local terms energy: -24.547024 where: bonds (distance) C4'-P energy: -6.007 bonds (distance) P-C4' energy: -5.048 flat angles C4'-P-C4' energy: -7.664 flat angles P-C4'-P energy: -1.491 tors. eta vs tors. theta energy: -4.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -54.832518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.832518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.832518 (E_RNA) where: Base-Base interactions energy: -23.024 where: short stacking energy: -23.023 Base-Backbone interact. energy: -0.081 local terms energy: -31.727787 where: bonds (distance) C4'-P energy: -7.989 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -4.695 flat angles P-C4'-P energy: -5.707 tors. eta vs tors. theta energy: -4.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -54.842272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.842272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.842272 (E_RNA) where: Base-Base interactions energy: -24.572 where: short stacking energy: -21.496 Base-Backbone interact. energy: -0.462 local terms energy: -29.808145 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.383 flat angles C4'-P-C4' energy: -7.290 flat angles P-C4'-P energy: -4.988 tors. eta vs tors. theta energy: -4.685 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: 9, replica: 9 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -50.708396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.708396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.708396 (E_RNA) where: Base-Base interactions energy: -17.245 where: short stacking energy: -17.245 Base-Backbone interact. energy: -0.045 local terms energy: -33.417648 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -6.523 flat angles P-C4'-P energy: -5.211 tors. eta vs tors. theta energy: -4.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -38.336391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.336391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.336391 (E_RNA) where: Base-Base interactions energy: -14.532 where: short stacking energy: -14.532 Base-Backbone interact. energy: -0.072 local terms energy: -23.732485 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -5.956 flat angles P-C4'-P energy: 0.983 tors. eta vs tors. theta energy: -3.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -73.478088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.478088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.478088 (E_RNA) where: Base-Base interactions energy: -39.906 where: short stacking energy: -27.890 Base-Backbone interact. energy: -0.020 local terms energy: -33.552299 where: bonds (distance) C4'-P energy: -6.007 bonds (distance) P-C4' energy: -8.337 flat angles C4'-P-C4' energy: -6.656 flat angles P-C4'-P energy: -5.990 tors. eta vs tors. theta energy: -6.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -59.241135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.241135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.241135 (E_RNA) where: Base-Base interactions energy: -29.414 where: short stacking energy: -24.137 Base-Backbone interact. energy: -0.143 local terms energy: -29.684715 where: bonds (distance) C4'-P energy: -6.457 bonds (distance) P-C4' energy: -6.892 flat angles C4'-P-C4' energy: -8.960 flat angles P-C4'-P energy: -5.646 tors. eta vs tors. theta energy: -1.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -51.005996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.005996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.005996 (E_RNA) where: Base-Base interactions energy: -19.534 where: short stacking energy: -19.534 Base-Backbone interact. energy: -0.098 local terms energy: -31.374025 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -6.954 flat angles P-C4'-P energy: -5.460 tors. eta vs tors. theta energy: -2.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -54.840872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.840872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.840872 (E_RNA) where: Base-Base interactions energy: -23.226 where: short stacking energy: -18.360 Base-Backbone interact. energy: -0.070 local terms energy: -31.544910 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -8.290 flat angles C4'-P-C4' energy: -7.739 flat angles P-C4'-P energy: -6.740 tors. eta vs tors. theta energy: -0.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -55.047949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.047949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.047949 (E_RNA) where: Base-Base interactions energy: -19.608 where: short stacking energy: -19.311 Base-Backbone interact. energy: -0.015 local terms energy: -35.424795 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.993 flat angles P-C4'-P energy: -5.486 tors. eta vs tors. theta energy: -6.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -50.791201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.791201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.791201 (E_RNA) where: Base-Base interactions energy: -19.052 where: short stacking energy: -19.052 Base-Backbone interact. energy: -0.000 local terms energy: -31.739000 where: bonds (distance) C4'-P energy: -6.620 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.693 flat angles P-C4'-P energy: -4.510 tors. eta vs tors. theta energy: -3.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -44.244651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.244651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.244651 (E_RNA) where: Base-Base interactions energy: -21.695 where: short stacking energy: -21.695 Base-Backbone interact. energy: -0.010 local terms energy: -22.539862 where: bonds (distance) C4'-P energy: -5.090 bonds (distance) P-C4' energy: -6.218 flat angles C4'-P-C4' energy: -4.196 flat angles P-C4'-P energy: -1.582 tors. eta vs tors. theta energy: -5.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -47.885300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.885300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.885300 (E_RNA) where: Base-Base interactions energy: -16.405 where: short stacking energy: -16.081 Base-Backbone interact. energy: -0.001 local terms energy: -31.478992 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -6.675 flat angles P-C4'-P energy: -2.688 tors. eta vs tors. theta energy: -4.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -47.218772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.218772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.218772 (E_RNA) where: Base-Base interactions energy: -18.883 where: short stacking energy: -18.883 Base-Backbone interact. energy: -0.008 local terms energy: -28.328630 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -6.844 flat angles C4'-P-C4' energy: -5.502 flat angles P-C4'-P energy: -3.917 tors. eta vs tors. theta energy: -7.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -36.477944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.477944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.477944 (E_RNA) where: Base-Base interactions energy: -18.189 where: short stacking energy: -13.871 Base-Backbone interact. energy: -0.123 local terms energy: -18.165780 where: bonds (distance) C4'-P energy: -7.046 bonds (distance) P-C4' energy: -7.512 flat angles C4'-P-C4' energy: -1.807 flat angles P-C4'-P energy: -3.564 tors. eta vs tors. theta energy: 1.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -73.096597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.096597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.096597 (E_RNA) where: Base-Base interactions energy: -33.314 where: short stacking energy: -33.314 Base-Backbone interact. energy: -0.027 local terms energy: -39.755549 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.952 flat angles P-C4'-P energy: -6.766 tors. eta vs tors. theta energy: -8.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -67.435768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.435768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.435768 (E_RNA) where: Base-Base interactions energy: -36.877 where: short stacking energy: -28.375 Base-Backbone interact. energy: -0.012 local terms energy: -30.546980 where: bonds (distance) C4'-P energy: -8.727 bonds (distance) P-C4' energy: -7.256 flat angles C4'-P-C4' energy: -5.476 flat angles P-C4'-P energy: -4.763 tors. eta vs tors. theta energy: -4.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -68.077473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.077473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.077473 (E_RNA) where: Base-Base interactions energy: -28.406 where: short stacking energy: -28.406 Base-Backbone interact. energy: -0.000 local terms energy: -39.671430 where: bonds (distance) C4'-P energy: -7.017 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -8.941 flat angles P-C4'-P energy: -7.649 tors. eta vs tors. theta energy: -9.188 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: 4 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -54.355881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.355881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.355881 (E_RNA) where: Base-Base interactions energy: -21.884 where: short stacking energy: -21.884 Base-Backbone interact. energy: -0.000 local terms energy: -32.471802 where: bonds (distance) C4'-P energy: -4.624 bonds (distance) P-C4' energy: -8.101 flat angles C4'-P-C4' energy: -8.722 flat angles P-C4'-P energy: -5.378 tors. eta vs tors. theta energy: -5.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -63.971401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.971401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.971401 (E_RNA) where: Base-Base interactions energy: -28.168 where: short stacking energy: -28.168 Base-Backbone interact. energy: -0.000 local terms energy: -35.803796 where: bonds (distance) C4'-P energy: -8.751 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -7.429 flat angles P-C4'-P energy: -4.148 tors. eta vs tors. theta energy: -8.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -53.784712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.784712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.784712 (E_RNA) where: Base-Base interactions energy: -20.600 where: short stacking energy: -20.600 Base-Backbone interact. energy: -0.006 local terms energy: -33.179211 where: bonds (distance) C4'-P energy: -5.821 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -8.814 flat angles P-C4'-P energy: -4.366 tors. eta vs tors. theta energy: -6.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -50.686161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.686161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.686161 (E_RNA) where: Base-Base interactions energy: -18.248 where: short stacking energy: -18.248 Base-Backbone interact. energy: -0.013 local terms energy: -32.425012 where: bonds (distance) C4'-P energy: -8.780 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -9.051 flat angles P-C4'-P energy: -4.981 tors. eta vs tors. theta energy: -1.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -52.493091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.493091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.493091 (E_RNA) where: Base-Base interactions energy: -22.223 where: short stacking energy: -20.776 Base-Backbone interact. energy: -0.002 local terms energy: -30.268785 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -4.982 tors. eta vs tors. theta energy: -2.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -44.083159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.083159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.083159 (E_RNA) where: Base-Base interactions energy: -17.251 where: short stacking energy: -17.251 Base-Backbone interact. energy: -0.000 local terms energy: -26.831708 where: bonds (distance) C4'-P energy: -5.431 bonds (distance) P-C4' energy: -5.502 flat angles C4'-P-C4' energy: -8.016 flat angles P-C4'-P energy: -5.178 tors. eta vs tors. theta energy: -2.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -37.011056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.011056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.011056 (E_RNA) where: Base-Base interactions energy: -12.165 where: short stacking energy: -9.554 Base-Backbone interact. energy: 0.162 local terms energy: -25.007981 where: bonds (distance) C4'-P energy: -4.782 bonds (distance) P-C4' energy: -8.267 flat angles C4'-P-C4' energy: -7.014 flat angles P-C4'-P energy: -5.037 tors. eta vs tors. theta energy: 0.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -61.571999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.571999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.571999 (E_RNA) where: Base-Base interactions energy: -26.209 where: short stacking energy: -25.449 Base-Backbone interact. energy: -0.058 local terms energy: -35.304985 where: bonds (distance) C4'-P energy: -6.976 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -8.728 flat angles P-C4'-P energy: -7.863 tors. eta vs tors. theta energy: -4.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -59.692529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.692529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.692529 (E_RNA) where: Base-Base interactions energy: -26.086 where: short stacking energy: -25.691 Base-Backbone interact. energy: -0.066 local terms energy: -33.540445 where: bonds (distance) C4'-P energy: -5.538 bonds (distance) P-C4' energy: -8.267 flat angles C4'-P-C4' energy: -7.567 flat angles P-C4'-P energy: -5.358 tors. eta vs tors. theta energy: -6.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -52.905800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.905800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.905800 (E_RNA) where: Base-Base interactions energy: -20.606 where: short stacking energy: -20.606 Base-Backbone interact. energy: -0.658 local terms energy: -31.642178 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -5.959 flat angles C4'-P-C4' energy: -7.838 flat angles P-C4'-P energy: -5.183 tors. eta vs tors. theta energy: -4.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -60.103161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.103161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.103161 (E_RNA) where: Base-Base interactions energy: -23.931 where: short stacking energy: -23.931 Base-Backbone interact. energy: -0.000 local terms energy: -36.172319 where: bonds (distance) C4'-P energy: -8.420 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.372 flat angles P-C4'-P energy: -5.181 tors. eta vs tors. theta energy: -4.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -57.899530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.899530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.899530 (E_RNA) where: Base-Base interactions energy: -25.175 where: short stacking energy: -24.538 Base-Backbone interact. energy: -0.002 local terms energy: -32.722264 where: bonds (distance) C4'-P energy: -6.929 bonds (distance) P-C4' energy: -8.203 flat angles C4'-P-C4' energy: -7.063 flat angles P-C4'-P energy: -5.097 tors. eta vs tors. theta energy: -5.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -52.108253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.108253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.108253 (E_RNA) where: Base-Base interactions energy: -20.887 where: short stacking energy: -20.863 Base-Backbone interact. energy: -0.001 local terms energy: -31.220052 where: bonds (distance) C4'-P energy: -5.465 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -5.939 flat angles P-C4'-P energy: -6.785 tors. eta vs tors. theta energy: -3.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -47.250783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.250783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.250783 (E_RNA) where: Base-Base interactions energy: -15.904 where: short stacking energy: -15.904 Base-Backbone interact. energy: -0.000 local terms energy: -31.346698 where: bonds (distance) C4'-P energy: -8.122 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.982 flat angles P-C4'-P energy: -2.497 tors. eta vs tors. theta energy: -3.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -43.939389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.939389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.939389 (E_RNA) where: Base-Base interactions energy: -19.069 where: short stacking energy: -19.069 Base-Backbone interact. energy: -0.032 local terms energy: -24.838255 where: bonds (distance) C4'-P energy: -5.477 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -3.116 flat angles P-C4'-P energy: -4.688 tors. eta vs tors. theta energy: -3.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -45.018110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.018110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.018110 (E_RNA) where: Base-Base interactions energy: -17.135 where: short stacking energy: -13.867 Base-Backbone interact. energy: -0.403 local terms energy: -27.480678 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.318 flat angles P-C4'-P energy: -3.809 tors. eta vs tors. theta energy: -4.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -44.533826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.533826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.533826 (E_RNA) where: Base-Base interactions energy: -20.817 where: short stacking energy: -8.821 Base-Backbone interact. energy: -0.055 local terms energy: -23.662206 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -7.317 flat angles P-C4'-P energy: -1.987 tors. eta vs tors. theta energy: 0.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -58.018168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.018168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.018168 (E_RNA) where: Base-Base interactions energy: -21.681 where: short stacking energy: -21.681 Base-Backbone interact. energy: -0.048 local terms energy: -36.289281 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.922 flat angles P-C4'-P energy: -7.191 tors. eta vs tors. theta energy: -5.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -62.157337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.157337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.157337 (E_RNA) where: Base-Base interactions energy: -27.899 where: short stacking energy: -27.342 Base-Backbone interact. energy: -0.232 local terms energy: -34.025618 where: bonds (distance) C4'-P energy: -7.067 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -8.371 flat angles P-C4'-P energy: -4.478 tors. eta vs tors. theta energy: -5.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -71.702924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.702924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.702924 (E_RNA) where: Base-Base interactions energy: -36.357 where: short stacking energy: -29.406 Base-Backbone interact. energy: -0.000 local terms energy: -35.345432 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -5.950 flat angles P-C4'-P energy: -5.576 tors. eta vs tors. theta energy: -8.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -62.571897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.571897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.571897 (E_RNA) where: Base-Base interactions energy: -27.485 where: short stacking energy: -27.485 Base-Backbone interact. energy: -0.000 local terms energy: -35.086778 where: bonds (distance) C4'-P energy: -6.645 bonds (distance) P-C4' energy: -8.048 flat angles C4'-P-C4' energy: -9.253 flat angles P-C4'-P energy: -4.578 tors. eta vs tors. theta energy: -6.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -54.843074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.843074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.843074 (E_RNA) where: Base-Base interactions energy: -23.397 where: short stacking energy: -22.815 Base-Backbone interact. energy: -0.002 local terms energy: -31.444180 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.009 flat angles P-C4'-P energy: -2.842 tors. eta vs tors. theta energy: -4.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -52.546467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.546467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.546467 (E_RNA) where: Base-Base interactions energy: -21.315 where: short stacking energy: -21.315 Base-Backbone interact. energy: -0.001 local terms energy: -31.230096 where: bonds (distance) C4'-P energy: -6.632 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -7.351 flat angles P-C4'-P energy: -5.676 tors. eta vs tors. theta energy: -4.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -57.315951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.315951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.315951 (E_RNA) where: Base-Base interactions energy: -22.101 where: short stacking energy: -22.101 Base-Backbone interact. energy: -0.000 local terms energy: -35.214350 where: bonds (distance) C4'-P energy: -7.811 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.734 flat angles P-C4'-P energy: -2.899 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: 8, replica: 7 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -45.030567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.030567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.030567 (E_RNA) where: Base-Base interactions energy: -16.226 where: short stacking energy: -16.226 Base-Backbone interact. energy: -0.291 local terms energy: -28.513040 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -7.207 flat angles C4'-P-C4' energy: -7.338 flat angles P-C4'-P energy: -4.378 tors. eta vs tors. theta energy: -2.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -46.944803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.944803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.944803 (E_RNA) where: Base-Base interactions energy: -16.952 where: short stacking energy: -12.675 Base-Backbone interact. energy: 0.340 local terms energy: -30.332889 where: bonds (distance) C4'-P energy: -7.435 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -6.883 flat angles P-C4'-P energy: -5.979 tors. eta vs tors. theta energy: -2.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -48.180520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.180520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.180520 (E_RNA) where: Base-Base interactions energy: -15.216 where: short stacking energy: -15.516 Base-Backbone interact. energy: -0.004 local terms energy: -32.960722 where: bonds (distance) C4'-P energy: -6.197 bonds (distance) P-C4' energy: -5.867 flat angles C4'-P-C4' energy: -8.608 flat angles P-C4'-P energy: -5.760 tors. eta vs tors. theta energy: -6.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -72.837479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.837479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.837479 (E_RNA) where: Base-Base interactions energy: -39.487 where: short stacking energy: -27.836 Base-Backbone interact. energy: -0.064 local terms energy: -33.286644 where: bonds (distance) C4'-P energy: -6.140 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -7.351 flat angles P-C4'-P energy: -2.980 tors. eta vs tors. theta energy: -7.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -71.676275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.676275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.676275 (E_RNA) where: Base-Base interactions energy: -34.969 where: short stacking energy: -34.969 Base-Backbone interact. energy: -0.001 local terms energy: -36.705751 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -8.400 flat angles P-C4'-P energy: -4.462 tors. eta vs tors. theta energy: -9.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -53.911495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.911495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.911495 (E_RNA) where: Base-Base interactions energy: -27.887 where: short stacking energy: -22.857 Base-Backbone interact. energy: -0.484 local terms energy: -25.540713 where: bonds (distance) C4'-P energy: -6.086 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -5.583 flat angles P-C4'-P energy: -1.326 tors. eta vs tors. theta energy: -4.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -63.744806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.744806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.744806 (E_RNA) where: Base-Base interactions energy: -26.635 where: short stacking energy: -26.635 Base-Backbone interact. energy: -0.000 local terms energy: -37.109323 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -8.623 flat angles P-C4'-P energy: -2.665 tors. eta vs tors. theta energy: -8.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -61.984385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.984385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.984385 (E_RNA) where: Base-Base interactions energy: -27.463 where: short stacking energy: -27.463 Base-Backbone interact. energy: -0.000 local terms energy: -34.520985 where: bonds (distance) C4'-P energy: -4.488 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -8.078 flat angles P-C4'-P energy: -7.820 tors. eta vs tors. theta energy: -5.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -47.632109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.632109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.632109 (E_RNA) where: Base-Base interactions energy: -16.273 where: short stacking energy: -16.273 Base-Backbone interact. energy: -0.016 local terms energy: -31.343048 where: bonds (distance) C4'-P energy: -6.793 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -7.821 flat angles P-C4'-P energy: -4.058 tors. eta vs tors. theta energy: -4.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -49.708909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.708909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.708909 (E_RNA) where: Base-Base interactions energy: -23.686 where: short stacking energy: -20.321 Base-Backbone interact. energy: -0.006 local terms energy: -26.016749 where: bonds (distance) C4'-P energy: -3.920 bonds (distance) P-C4' energy: -7.340 flat angles C4'-P-C4' energy: -4.343 flat angles P-C4'-P energy: -4.856 tors. eta vs tors. theta energy: -5.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -46.261915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.261915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.261915 (E_RNA) where: Base-Base interactions energy: -17.948 where: short stacking energy: -17.948 Base-Backbone interact. energy: 0.436 local terms energy: -28.750411 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -5.089 flat angles P-C4'-P energy: -4.047 tors. eta vs tors. theta energy: -2.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -49.881494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.881494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.881494 (E_RNA) where: Base-Base interactions energy: -20.846 where: short stacking energy: -20.846 Base-Backbone interact. energy: -0.001 local terms energy: -29.033827 where: bonds (distance) C4'-P energy: -5.369 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -7.496 flat angles P-C4'-P energy: -1.636 tors. eta vs tors. theta energy: -6.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -45.530779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.530779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.530779 (E_RNA) where: Base-Base interactions energy: -17.560 where: short stacking energy: -17.560 Base-Backbone interact. energy: 0.821 local terms energy: -28.792063 where: bonds (distance) C4'-P energy: -4.438 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -3.652 tors. eta vs tors. theta energy: -3.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -65.095757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.095757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.095757 (E_RNA) where: Base-Base interactions energy: -27.738 where: short stacking energy: -27.738 Base-Backbone interact. energy: -0.002 local terms energy: -37.355719 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -6.805 flat angles P-C4'-P energy: -6.219 tors. eta vs tors. theta energy: -8.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -54.972507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.972507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.972507 (E_RNA) where: Base-Base interactions energy: -19.677 where: short stacking energy: -19.677 Base-Backbone interact. energy: -0.014 local terms energy: -35.281237 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -8.659 flat angles P-C4'-P energy: -4.385 tors. eta vs tors. theta energy: -5.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -54.089395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.089395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.089395 (E_RNA) where: Base-Base interactions energy: -21.732 where: short stacking energy: -21.732 Base-Backbone interact. energy: -0.012 local terms energy: -32.345485 where: bonds (distance) C4'-P energy: -6.007 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -8.497 flat angles P-C4'-P energy: -5.470 tors. eta vs tors. theta energy: -6.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -57.555278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.555278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.555278 (E_RNA) where: Base-Base interactions energy: -28.488 where: short stacking energy: -28.488 Base-Backbone interact. energy: -0.001 local terms energy: -29.066188 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -5.003 flat angles C4'-P-C4' energy: -7.535 flat angles P-C4'-P energy: -4.815 tors. eta vs tors. theta energy: -3.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -51.450795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.450795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.450795 (E_RNA) where: Base-Base interactions energy: -20.394 where: short stacking energy: -18.503 Base-Backbone interact. energy: -0.098 local terms energy: -30.958320 where: bonds (distance) C4'-P energy: -4.136 bonds (distance) P-C4' energy: -8.451 flat angles C4'-P-C4' energy: -8.881 flat angles P-C4'-P energy: -4.442 tors. eta vs tors. theta energy: -5.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -52.797586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.797586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.797586 (E_RNA) where: Base-Base interactions energy: -22.042 where: short stacking energy: -19.611 Base-Backbone interact. energy: 0.744 local terms energy: -31.499769 where: bonds (distance) C4'-P energy: -8.904 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -7.646 flat angles P-C4'-P energy: -3.716 tors. eta vs tors. theta energy: -1.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -50.356421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.356421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.356421 (E_RNA) where: Base-Base interactions energy: -21.808 where: short stacking energy: -21.808 Base-Backbone interact. energy: -0.043 local terms energy: -28.505150 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -6.370 flat angles C4'-P-C4' energy: -4.955 flat angles P-C4'-P energy: -5.248 tors. eta vs tors. theta energy: -3.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -46.974480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.974480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.974480 (E_RNA) where: Base-Base interactions energy: -17.638 where: short stacking energy: -16.015 Base-Backbone interact. energy: 0.170 local terms energy: -29.506641 where: bonds (distance) C4'-P energy: -8.283 bonds (distance) P-C4' energy: -6.480 flat angles C4'-P-C4' energy: -8.189 flat angles P-C4'-P energy: -3.207 tors. eta vs tors. theta energy: -3.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -42.704997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.704997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.704997 (E_RNA) where: Base-Base interactions energy: -13.493 where: short stacking energy: -13.585 Base-Backbone interact. energy: -0.155 local terms energy: -29.057648 where: bonds (distance) C4'-P energy: -6.839 bonds (distance) P-C4' energy: -5.765 flat angles C4'-P-C4' energy: -8.174 flat angles P-C4'-P energy: -7.200 tors. eta vs tors. theta energy: -1.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -52.447669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.447669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.447669 (E_RNA) where: Base-Base interactions energy: -29.027 where: short stacking energy: -20.612 Base-Backbone interact. energy: -0.004 local terms energy: -23.416692 where: bonds (distance) C4'-P energy: -5.414 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -5.399 flat angles P-C4'-P energy: -2.030 tors. eta vs tors. theta energy: -4.579 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: 4 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -69.360812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.360812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.360812 (E_RNA) where: Base-Base interactions energy: -31.095 where: short stacking energy: -31.095 Base-Backbone interact. energy: -0.000 local terms energy: -38.265777 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -7.047 flat angles P-C4'-P energy: -5.461 tors. eta vs tors. theta energy: -9.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -58.409168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.409168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.409168 (E_RNA) where: Base-Base interactions energy: -25.684 where: short stacking energy: -25.684 Base-Backbone interact. energy: -0.000 local terms energy: -32.725375 where: bonds (distance) C4'-P energy: -7.043 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -8.071 flat angles P-C4'-P energy: -4.092 tors. eta vs tors. theta energy: -6.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -58.782488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.782488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.782488 (E_RNA) where: Base-Base interactions energy: -26.044 where: short stacking energy: -26.044 Base-Backbone interact. energy: -0.002 local terms energy: -32.736535 where: bonds (distance) C4'-P energy: -6.504 bonds (distance) P-C4' energy: -7.181 flat angles C4'-P-C4' energy: -8.657 flat angles P-C4'-P energy: -5.060 tors. eta vs tors. theta energy: -5.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -50.644840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.644840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.644840 (E_RNA) where: Base-Base interactions energy: -21.401 where: short stacking energy: -21.401 Base-Backbone interact. energy: -0.977 local terms energy: -28.266641 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.097 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -3.977 tors. eta vs tors. theta energy: -2.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -53.691210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.691210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.691210 (E_RNA) where: Base-Base interactions energy: -18.268 where: short stacking energy: -18.268 Base-Backbone interact. energy: -0.000 local terms energy: -35.422480 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -7.203 flat angles P-C4'-P energy: -4.967 tors. eta vs tors. theta energy: -6.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -46.795604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.795604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.795604 (E_RNA) where: Base-Base interactions energy: -18.501 where: short stacking energy: -18.501 Base-Backbone interact. energy: -0.000 local terms energy: -28.294387 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -5.479 flat angles C4'-P-C4' energy: -5.989 flat angles P-C4'-P energy: -4.222 tors. eta vs tors. theta energy: -5.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -52.581643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.581643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.581643 (E_RNA) where: Base-Base interactions energy: -18.454 where: short stacking energy: -18.454 Base-Backbone interact. energy: -0.000 local terms energy: -34.127258 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -7.559 flat angles P-C4'-P energy: -4.005 tors. eta vs tors. theta energy: -8.082 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: 8 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -45.842322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.842322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.842322 (E_RNA) where: Base-Base interactions energy: -22.145 where: short stacking energy: -12.472 Base-Backbone interact. energy: -0.101 local terms energy: -23.596110 where: bonds (distance) C4'-P energy: -4.860 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -3.399 flat angles P-C4'-P energy: -3.663 tors. eta vs tors. theta energy: -2.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -45.774897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.774897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.774897 (E_RNA) where: Base-Base interactions energy: -15.992 where: short stacking energy: -14.984 Base-Backbone interact. energy: -0.001 local terms energy: -29.781519 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -3.840 flat angles P-C4'-P energy: -6.587 tors. eta vs tors. theta energy: -3.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -43.104494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.104494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.104494 (E_RNA) where: Base-Base interactions energy: -16.858 where: short stacking energy: -12.398 Base-Backbone interact. energy: -0.007 local terms energy: -26.239736 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -7.573 flat angles C4'-P-C4' energy: -5.762 flat angles P-C4'-P energy: -1.336 tors. eta vs tors. theta energy: -3.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -70.095860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.095860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.095860 (E_RNA) where: Base-Base interactions energy: -35.322 where: short stacking energy: -35.322 Base-Backbone interact. energy: -0.000 local terms energy: -34.773815 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -5.389 flat angles C4'-P-C4' energy: -6.766 flat angles P-C4'-P energy: -5.563 tors. eta vs tors. theta energy: -9.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -65.213515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.213515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.213515 (E_RNA) where: Base-Base interactions energy: -27.287 where: short stacking energy: -27.287 Base-Backbone interact. energy: -0.070 local terms energy: -37.856439 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.343 flat angles C4'-P-C4' energy: -7.225 flat angles P-C4'-P energy: -6.224 tors. eta vs tors. theta energy: -8.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -58.364867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.364867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.364867 (E_RNA) where: Base-Base interactions energy: -24.709 where: short stacking energy: -24.709 Base-Backbone interact. energy: -0.064 local terms energy: -33.591733 where: bonds (distance) C4'-P energy: -4.830 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -6.917 flat angles P-C4'-P energy: -6.125 tors. eta vs tors. theta energy: -7.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -55.851390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.851390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.851390 (E_RNA) where: Base-Base interactions energy: -24.000 where: short stacking energy: -24.000 Base-Backbone interact. energy: -0.009 local terms energy: -31.842236 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -7.298 flat angles P-C4'-P energy: -5.772 tors. eta vs tors. theta energy: -3.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -58.162444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.162444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.162444 (E_RNA) where: Base-Base interactions energy: -25.957 where: short stacking energy: -22.194 Base-Backbone interact. energy: -0.001 local terms energy: -32.204450 where: bonds (distance) C4'-P energy: -5.440 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -6.442 flat angles P-C4'-P energy: -5.270 tors. eta vs tors. theta energy: -7.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -57.678987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.678987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.678987 (E_RNA) where: Base-Base interactions energy: -29.983 where: short stacking energy: -18.464 Base-Backbone interact. energy: -0.194 local terms energy: -27.501889 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -7.389 flat angles P-C4'-P energy: -2.894 tors. eta vs tors. theta energy: -2.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -53.350681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.350681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.350681 (E_RNA) where: Base-Base interactions energy: -21.502 where: short stacking energy: -21.502 Base-Backbone interact. energy: -0.026 local terms energy: -31.822557 where: bonds (distance) C4'-P energy: -5.349 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -6.600 flat angles P-C4'-P energy: -7.191 tors. eta vs tors. theta energy: -4.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -43.829593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.829593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.829593 (E_RNA) where: Base-Base interactions energy: -10.996 where: short stacking energy: -10.996 Base-Backbone interact. energy: -0.092 local terms energy: -32.741385 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.025 flat angles P-C4'-P energy: -5.427 tors. eta vs tors. theta energy: -3.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -43.879757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.879757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.879757 (E_RNA) where: Base-Base interactions energy: -16.628 where: short stacking energy: -16.628 Base-Backbone interact. energy: -0.012 local terms energy: -27.239860 where: bonds (distance) C4'-P energy: -7.049 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -7.233 flat angles P-C4'-P energy: -4.078 tors. eta vs tors. theta energy: -1.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -41.559834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.559834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.559834 (E_RNA) where: Base-Base interactions energy: -12.256 where: short stacking energy: -12.256 Base-Backbone interact. energy: -0.013 local terms energy: -29.290727 where: bonds (distance) C4'-P energy: -5.713 bonds (distance) P-C4' energy: -7.337 flat angles C4'-P-C4' energy: -9.098 flat angles P-C4'-P energy: -5.477 tors. eta vs tors. theta energy: -1.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -63.656624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.656624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.656624 (E_RNA) where: Base-Base interactions energy: -26.623 where: short stacking energy: -26.623 Base-Backbone interact. energy: -0.006 local terms energy: -37.028241 where: bonds (distance) C4'-P energy: -7.133 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -7.491 flat angles P-C4'-P energy: -6.834 tors. eta vs tors. theta energy: -7.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -62.961214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.961214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.961214 (E_RNA) where: Base-Base interactions energy: -27.263 where: short stacking energy: -27.263 Base-Backbone interact. energy: -0.097 local terms energy: -35.601280 where: bonds (distance) C4'-P energy: -8.283 bonds (distance) P-C4' energy: -5.198 flat angles C4'-P-C4' energy: -8.629 flat angles P-C4'-P energy: -5.654 tors. eta vs tors. theta energy: -7.838 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: 220 Temperature: 1.000000 Total energy: -56.845513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.845513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.845513 (E_RNA) where: Base-Base interactions energy: -23.175 where: short stacking energy: -23.175 Base-Backbone interact. energy: -0.008 local terms energy: -33.662116 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -8.055 flat angles P-C4'-P energy: -6.042 tors. eta vs tors. theta energy: -5.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -59.326366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.326366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.326366 (E_RNA) where: Base-Base interactions energy: -33.557 where: short stacking energy: -14.068 Base-Backbone interact. energy: -0.096 local terms energy: -25.673542 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.316 flat angles P-C4'-P energy: -4.312 tors. eta vs tors. theta energy: -2.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -59.719464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.719464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.719464 (E_RNA) where: Base-Base interactions energy: -24.113 where: short stacking energy: -23.288 Base-Backbone interact. energy: -0.000 local terms energy: -35.606289 where: bonds (distance) C4'-P energy: -6.591 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -7.796 flat angles P-C4'-P energy: -5.456 tors. eta vs tors. theta energy: -7.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -56.268619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.268619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.268619 (E_RNA) where: Base-Base interactions energy: -21.571 where: short stacking energy: -21.571 Base-Backbone interact. energy: -0.024 local terms energy: -34.674051 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.433 flat angles P-C4'-P energy: -6.330 tors. eta vs tors. theta energy: -4.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -56.725913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.725913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.725913 (E_RNA) where: Base-Base interactions energy: -30.945 where: short stacking energy: -17.717 Base-Backbone interact. energy: -0.010 local terms energy: -25.770976 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -4.151 flat angles P-C4'-P energy: -4.829 tors. eta vs tors. theta energy: -3.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -46.933920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.933920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.933920 (E_RNA) where: Base-Base interactions energy: -15.714 where: short stacking energy: -15.714 Base-Backbone interact. energy: -0.020 local terms energy: -31.199767 where: bonds (distance) C4'-P energy: -6.674 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -7.535 flat angles P-C4'-P energy: -5.684 tors. eta vs tors. theta energy: -4.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -46.943297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.943297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.943297 (E_RNA) where: Base-Base interactions energy: -16.510 where: short stacking energy: -16.510 Base-Backbone interact. energy: -0.001 local terms energy: -30.431963 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.420 flat angles P-C4'-P energy: -4.312 tors. eta vs tors. theta energy: -2.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -43.182848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.182848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.182848 (E_RNA) where: Base-Base interactions energy: -11.728 where: short stacking energy: -11.728 Base-Backbone interact. energy: -0.085 local terms energy: -31.370271 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -8.392 flat angles C4'-P-C4' energy: -6.329 flat angles P-C4'-P energy: -6.381 tors. eta vs tors. theta energy: -2.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -68.558494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.558494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.558494 (E_RNA) where: Base-Base interactions energy: -35.313 where: short stacking energy: -18.977 Base-Backbone interact. energy: -0.767 local terms energy: -32.478667 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.201 flat angles P-C4'-P energy: -3.839 tors. eta vs tors. theta energy: -4.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -58.472834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.472834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.472834 (E_RNA) where: Base-Base interactions energy: -26.001 where: short stacking energy: -26.001 Base-Backbone interact. energy: -0.000 local terms energy: -32.472185 where: bonds (distance) C4'-P energy: -6.875 bonds (distance) P-C4' energy: -9.302 flat angles C4'-P-C4' energy: -5.339 flat angles P-C4'-P energy: -4.775 tors. eta vs tors. theta energy: -6.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -54.641235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.641235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.641235 (E_RNA) where: Base-Base interactions energy: -24.479 where: short stacking energy: -24.093 Base-Backbone interact. energy: -0.000 local terms energy: -30.162317 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.570 flat angles C4'-P-C4' energy: -6.783 flat angles P-C4'-P energy: -3.575 tors. eta vs tors. theta energy: -3.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -52.529066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.529066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.529066 (E_RNA) where: Base-Base interactions energy: -18.823 where: short stacking energy: -18.823 Base-Backbone interact. energy: -0.125 local terms energy: -33.581709 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -6.812 flat angles C4'-P-C4' energy: -8.744 flat angles P-C4'-P energy: -5.880 tors. eta vs tors. theta energy: -4.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -50.676102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.676102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.676102 (E_RNA) where: Base-Base interactions energy: -19.758 where: short stacking energy: -19.758 Base-Backbone interact. energy: -0.001 local terms energy: -30.917774 where: bonds (distance) C4'-P energy: -7.915 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -6.745 flat angles P-C4'-P energy: -5.113 tors. eta vs tors. theta energy: -2.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -55.088468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.088468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.088468 (E_RNA) where: Base-Base interactions energy: -22.652 where: short stacking energy: -22.019 Base-Backbone interact. energy: -0.251 local terms energy: -32.185937 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -6.925 flat angles P-C4'-P energy: -3.719 tors. eta vs tors. theta energy: -6.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -51.644380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.644380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.644380 (E_RNA) where: Base-Base interactions energy: -23.478 where: short stacking energy: -16.323 Base-Backbone interact. energy: -0.025 local terms energy: -28.141599 where: bonds (distance) C4'-P energy: -3.238 bonds (distance) P-C4' energy: -5.582 flat angles C4'-P-C4' energy: -9.062 flat angles P-C4'-P energy: -6.321 tors. eta vs tors. theta energy: -3.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -43.990199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.990199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.990199 (E_RNA) where: Base-Base interactions energy: -17.560 where: short stacking energy: -17.560 Base-Backbone interact. energy: -0.009 local terms energy: -26.421145 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -5.557 flat angles C4'-P-C4' energy: -7.565 flat angles P-C4'-P energy: -4.082 tors. eta vs tors. theta energy: -1.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -42.425288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.425288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.425288 (E_RNA) where: Base-Base interactions energy: -14.123 where: short stacking energy: -10.128 Base-Backbone interact. energy: -0.007 local terms energy: -28.295839 where: bonds (distance) C4'-P energy: -6.748 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -8.121 flat angles P-C4'-P energy: -3.980 tors. eta vs tors. theta energy: -1.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -46.066631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.066631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.066631 (E_RNA) where: Base-Base interactions energy: -16.612 where: short stacking energy: -16.612 Base-Backbone interact. energy: -0.001 local terms energy: -29.453003 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.463 flat angles P-C4'-P energy: -3.258 tors. eta vs tors. theta energy: -5.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -56.712948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.712948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.712948 (E_RNA) where: Base-Base interactions energy: -23.410 where: short stacking energy: -21.807 Base-Backbone interact. energy: -0.001 local terms energy: -33.301159 where: bonds (distance) C4'-P energy: -8.056 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -9.077 flat angles P-C4'-P energy: -2.656 tors. eta vs tors. theta energy: -4.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -65.879996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.879996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.879996 (E_RNA) where: Base-Base interactions energy: -32.629 where: short stacking energy: -22.868 Base-Backbone interact. energy: 0.377 local terms energy: -33.627802 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -6.121 flat angles P-C4'-P energy: -4.481 tors. eta vs tors. theta energy: -6.284 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: 3, replica: 6 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -53.605832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.605832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.605832 (E_RNA) where: Base-Base interactions energy: -21.277 where: short stacking energy: -21.277 Base-Backbone interact. energy: -0.010 local terms energy: -32.318947 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -8.087 flat angles P-C4'-P energy: -4.377 tors. eta vs tors. theta energy: -3.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -57.216287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.216287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.216287 (E_RNA) where: Base-Base interactions energy: -27.185 where: short stacking energy: -23.748 Base-Backbone interact. energy: -0.099 local terms energy: -29.931862 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -6.093 flat angles C4'-P-C4' energy: -9.144 flat angles P-C4'-P energy: -2.571 tors. eta vs tors. theta energy: -4.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -58.507593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.507593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.507593 (E_RNA) where: Base-Base interactions energy: -28.514 where: short stacking energy: -28.514 Base-Backbone interact. energy: -0.000 local terms energy: -29.994007 where: bonds (distance) C4'-P energy: -7.443 bonds (distance) P-C4' energy: -6.272 flat angles C4'-P-C4' energy: -7.975 flat angles P-C4'-P energy: -3.316 tors. eta vs tors. theta energy: -4.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -52.634754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.634754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.634754 (E_RNA) where: Base-Base interactions energy: -24.642 where: short stacking energy: -24.642 Base-Backbone interact. energy: -1.289 local terms energy: -26.704108 where: bonds (distance) C4'-P energy: -6.326 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -1.038 flat angles P-C4'-P energy: -2.941 tors. eta vs tors. theta energy: -8.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -43.558381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.558381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.558381 (E_RNA) where: Base-Base interactions energy: -15.312 where: short stacking energy: -11.042 Base-Backbone interact. energy: -0.079 local terms energy: -28.167565 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -8.089 flat angles P-C4'-P energy: -6.096 tors. eta vs tors. theta energy: -0.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -46.047392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.047392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.047392 (E_RNA) where: Base-Base interactions energy: -15.218 where: short stacking energy: -13.693 Base-Backbone interact. energy: -0.001 local terms energy: -30.828057 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -8.087 flat angles C4'-P-C4' energy: -8.235 flat angles P-C4'-P energy: -5.203 tors. eta vs tors. theta energy: -2.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -40.864994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.864994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.864994 (E_RNA) where: Base-Base interactions energy: -11.875 where: short stacking energy: -11.733 Base-Backbone interact. energy: -0.084 local terms energy: -28.905915 where: bonds (distance) C4'-P energy: -6.935 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -6.185 flat angles P-C4'-P energy: -3.731 tors. eta vs tors. theta energy: -3.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -41.436354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.436354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.436354 (E_RNA) where: Base-Base interactions energy: -12.554 where: short stacking energy: -12.554 Base-Backbone interact. energy: -0.000 local terms energy: -28.881936 where: bonds (distance) C4'-P energy: -6.867 bonds (distance) P-C4' energy: -5.302 flat angles C4'-P-C4' energy: -6.070 flat angles P-C4'-P energy: -5.697 tors. eta vs tors. theta energy: -4.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -67.160581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.160581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.160581 (E_RNA) where: Base-Base interactions energy: -31.389 where: short stacking energy: -22.787 Base-Backbone interact. energy: -0.003 local terms energy: -35.768716 where: bonds (distance) C4'-P energy: -8.010 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -5.439 flat angles P-C4'-P energy: -5.232 tors. eta vs tors. theta energy: -7.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -59.169679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.169679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.169679 (E_RNA) where: Base-Base interactions energy: -26.547 where: short stacking energy: -26.547 Base-Backbone interact. energy: -0.000 local terms energy: -32.622943 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -6.611 flat angles C4'-P-C4' energy: -7.594 flat angles P-C4'-P energy: -5.468 tors. eta vs tors. theta energy: -6.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -60.841941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.841941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.841941 (E_RNA) where: Base-Base interactions energy: -23.326 where: short stacking energy: -23.326 Base-Backbone interact. energy: -0.000 local terms energy: -37.515665 where: bonds (distance) C4'-P energy: -8.581 bonds (distance) P-C4' energy: -8.787 flat angles C4'-P-C4' energy: -9.000 flat angles P-C4'-P energy: -4.828 tors. eta vs tors. theta energy: -6.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -60.083727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.083727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.083727 (E_RNA) where: Base-Base interactions energy: -24.660 where: short stacking energy: -24.660 Base-Backbone interact. energy: -0.000 local terms energy: -35.423641 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -8.504 flat angles P-C4'-P energy: -2.045 tors. eta vs tors. theta energy: -9.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -55.489751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.489751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.489751 (E_RNA) where: Base-Base interactions energy: -24.391 where: short stacking energy: -17.444 Base-Backbone interact. energy: -0.299 local terms energy: -30.799107 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.548 flat angles P-C4'-P energy: -4.749 tors. eta vs tors. theta energy: -2.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -50.827740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.827740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.827740 (E_RNA) where: Base-Base interactions energy: -19.722 where: short stacking energy: -19.722 Base-Backbone interact. energy: -0.034 local terms energy: -31.072333 where: bonds (distance) C4'-P energy: -6.511 bonds (distance) P-C4' energy: -8.072 flat angles C4'-P-C4' energy: -7.615 flat angles P-C4'-P energy: -6.085 tors. eta vs tors. theta energy: -2.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -44.396480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.396480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.396480 (E_RNA) where: Base-Base interactions energy: -19.092 where: short stacking energy: -19.092 Base-Backbone interact. energy: -0.055 local terms energy: -25.249242 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -7.419 flat angles P-C4'-P energy: -2.844 tors. eta vs tors. theta energy: -1.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -41.720723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.720723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.720723 (E_RNA) where: Base-Base interactions energy: -13.523 where: short stacking energy: -12.732 Base-Backbone interact. energy: -0.004 local terms energy: -28.193282 where: bonds (distance) C4'-P energy: -6.450 bonds (distance) P-C4' energy: -7.311 flat angles C4'-P-C4' energy: -5.534 flat angles P-C4'-P energy: -6.442 tors. eta vs tors. theta energy: -2.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -44.096995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.096995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.096995 (E_RNA) where: Base-Base interactions energy: -17.974 where: short stacking energy: -8.142 Base-Backbone interact. energy: -0.112 local terms energy: -26.011346 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -7.947 flat angles C4'-P-C4' energy: -6.919 flat angles P-C4'-P energy: -4.743 tors. eta vs tors. theta energy: 2.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -37.047580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.047580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.047580 (E_RNA) where: Base-Base interactions energy: -16.441 where: short stacking energy: -17.541 Base-Backbone interact. energy: -0.122 local terms energy: -20.485388 where: bonds (distance) C4'-P energy: -5.059 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -3.541 flat angles P-C4'-P energy: -3.292 tors. eta vs tors. theta energy: -1.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -72.286357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.286357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.286357 (E_RNA) where: Base-Base interactions energy: -34.754 where: short stacking energy: -27.482 Base-Backbone interact. energy: -0.004 local terms energy: -37.528283 where: bonds (distance) C4'-P energy: -7.125 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -3.593 flat angles P-C4'-P energy: -7.205 tors. eta vs tors. theta energy: -10.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -68.894519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.894519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.894519 (E_RNA) where: Base-Base interactions energy: -31.230 where: short stacking energy: -30.406 Base-Backbone interact. energy: -0.093 local terms energy: -37.571733 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -6.184 flat angles C4'-P-C4' energy: -7.116 flat angles P-C4'-P energy: -5.486 tors. eta vs tors. theta energy: -10.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -51.231360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.231360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.231360 (E_RNA) where: Base-Base interactions energy: -18.634 where: short stacking energy: -18.634 Base-Backbone interact. energy: -0.013 local terms energy: -32.584523 where: bonds (distance) C4'-P energy: -8.002 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -8.921 flat angles P-C4'-P energy: -3.182 tors. eta vs tors. theta energy: -4.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -54.653021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.653021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.653021 (E_RNA) where: Base-Base interactions energy: -22.882 where: short stacking energy: -22.882 Base-Backbone interact. energy: -0.028 local terms energy: -31.743101 where: bonds (distance) C4'-P energy: -6.790 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -7.113 flat angles P-C4'-P energy: -5.643 tors. eta vs tors. theta energy: -6.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -50.871122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.871122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.871122 (E_RNA) where: Base-Base interactions energy: -19.653 where: short stacking energy: -12.758 Base-Backbone interact. energy: -0.050 local terms energy: -31.168244 where: bonds (distance) C4'-P energy: -7.390 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -7.535 flat angles P-C4'-P energy: -5.003 tors. eta vs tors. theta energy: -2.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -46.273608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.273608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.273608 (E_RNA) where: Base-Base interactions energy: -20.369 where: short stacking energy: -16.430 Base-Backbone interact. energy: -0.100 local terms energy: -25.804356 where: bonds (distance) C4'-P energy: -5.961 bonds (distance) P-C4' energy: -6.321 flat angles C4'-P-C4' energy: -7.918 flat angles P-C4'-P energy: -3.750 tors. eta vs tors. theta energy: -1.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -46.804796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.804796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.804796 (E_RNA) where: Base-Base interactions energy: -16.692 where: short stacking energy: -16.692 Base-Backbone interact. energy: 0.427 local terms energy: -30.539587 where: bonds (distance) C4'-P energy: -6.284 bonds (distance) P-C4' energy: -8.437 flat angles C4'-P-C4' energy: -8.101 flat angles P-C4'-P energy: -4.475 tors. eta vs tors. theta energy: -3.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -43.767096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.767096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.767096 (E_RNA) where: Base-Base interactions energy: -11.079 where: short stacking energy: -11.079 Base-Backbone interact. energy: -0.068 local terms energy: -32.620320 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -7.358 flat angles P-C4'-P energy: -4.305 tors. eta vs tors. theta energy: -3.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -39.445768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.445768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.445768 (E_RNA) where: Base-Base interactions energy: -13.986 where: short stacking energy: -7.164 Base-Backbone interact. energy: -0.310 local terms energy: -25.149683 where: bonds (distance) C4'-P energy: -7.137 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -5.991 flat angles P-C4'-P energy: -4.578 tors. eta vs tors. theta energy: 1.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -42.670630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.670630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.670630 (E_RNA) where: Base-Base interactions energy: -15.678 where: short stacking energy: -15.678 Base-Backbone interact. energy: -0.042 local terms energy: -26.950655 where: bonds (distance) C4'-P energy: -4.412 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -7.803 flat angles P-C4'-P energy: -5.780 tors. eta vs tors. theta energy: -1.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -82.531278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.531278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.531278 (E_RNA) where: Base-Base interactions energy: -50.675 where: short stacking energy: -25.036 Base-Backbone interact. energy: -0.001 local terms energy: -31.855333 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -7.357 flat angles P-C4'-P energy: -4.666 tors. eta vs tors. theta energy: -3.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -57.414270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.414270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.414270 (E_RNA) where: Base-Base interactions energy: -20.416 where: short stacking energy: -18.912 Base-Backbone interact. energy: -0.109 local terms energy: -36.889590 where: bonds (distance) C4'-P energy: -6.222 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -8.196 flat angles P-C4'-P energy: -6.231 tors. eta vs tors. theta energy: -7.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -59.563280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.563280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.563280 (E_RNA) where: Base-Base interactions energy: -25.699 where: short stacking energy: -25.699 Base-Backbone interact. energy: -0.006 local terms energy: -33.858611 where: bonds (distance) C4'-P energy: -6.876 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.068 flat angles P-C4'-P energy: -2.278 tors. eta vs tors. theta energy: -7.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -53.184159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.184159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.184159 (E_RNA) where: Base-Base interactions energy: -23.988 where: short stacking energy: -23.988 Base-Backbone interact. energy: -0.000 local terms energy: -29.196129 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -5.330 flat angles P-C4'-P energy: -5.208 tors. eta vs tors. theta energy: -3.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -54.273290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.273290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.273290 (E_RNA) where: Base-Base interactions energy: -22.882 where: short stacking energy: -22.882 Base-Backbone interact. energy: -0.042 local terms energy: -31.348865 where: bonds (distance) C4'-P energy: -6.209 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.621 flat angles P-C4'-P energy: -3.994 tors. eta vs tors. theta energy: -4.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -42.274194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.274194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.274194 (E_RNA) where: Base-Base interactions energy: -14.029 where: short stacking energy: -14.029 Base-Backbone interact. energy: -0.031 local terms energy: -28.213964 where: bonds (distance) C4'-P energy: -6.334 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -7.160 flat angles P-C4'-P energy: -5.892 tors. eta vs tors. theta energy: -2.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -49.576101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.576101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.576101 (E_RNA) where: Base-Base interactions energy: -21.481 where: short stacking energy: -21.349 Base-Backbone interact. energy: -0.016 local terms energy: -28.079835 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -7.334 flat angles C4'-P-C4' energy: -6.035 flat angles P-C4'-P energy: -3.896 tors. eta vs tors. theta energy: -4.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -46.396138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.396138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.396138 (E_RNA) where: Base-Base interactions energy: -14.957 where: short stacking energy: -14.654 Base-Backbone interact. energy: -0.060 local terms energy: -31.379150 where: bonds (distance) C4'-P energy: -7.936 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -6.736 flat angles P-C4'-P energy: -4.218 tors. eta vs tors. theta energy: -4.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -44.132195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.132195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.132195 (E_RNA) where: Base-Base interactions energy: -13.234 where: short stacking energy: -13.234 Base-Backbone interact. energy: -0.524 local terms energy: -30.374371 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -7.117 flat angles P-C4'-P energy: -5.306 tors. eta vs tors. theta energy: -3.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -41.581234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.581234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.581234 (E_RNA) where: Base-Base interactions energy: -15.156 where: short stacking energy: -15.156 Base-Backbone interact. energy: -0.101 local terms energy: -26.323799 where: bonds (distance) C4'-P energy: -4.958 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -2.886 flat angles P-C4'-P energy: -5.793 tors. eta vs tors. theta energy: -3.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -77.096538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.096538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.096538 (E_RNA) where: Base-Base interactions energy: -45.620 where: short stacking energy: -19.708 Base-Backbone interact. energy: -0.005 local terms energy: -31.471914 where: bonds (distance) C4'-P energy: -6.942 bonds (distance) P-C4' energy: -7.839 flat angles C4'-P-C4' energy: -8.217 flat angles P-C4'-P energy: -5.443 tors. eta vs tors. theta energy: -3.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -58.791670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.791670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.791670 (E_RNA) where: Base-Base interactions energy: -23.189 where: short stacking energy: -23.189 Base-Backbone interact. energy: -0.014 local terms energy: -35.588491 where: bonds (distance) C4'-P energy: -6.317 bonds (distance) P-C4' energy: -9.309 flat angles C4'-P-C4' energy: -8.830 flat angles P-C4'-P energy: -5.202 tors. eta vs tors. theta energy: -5.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -64.671241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.671241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.671241 (E_RNA) where: Base-Base interactions energy: -26.545 where: short stacking energy: -26.545 Base-Backbone interact. energy: -0.009 local terms energy: -38.117907 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.372 flat angles P-C4'-P energy: -6.324 tors. eta vs tors. theta energy: -8.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -68.290457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.290457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.290457 (E_RNA) where: Base-Base interactions energy: -35.074 where: short stacking energy: -26.238 Base-Backbone interact. energy: -0.002 local terms energy: -33.214474 where: bonds (distance) C4'-P energy: -8.851 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -6.790 flat angles P-C4'-P energy: -3.714 tors. eta vs tors. theta energy: -4.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -57.854231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.854231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.854231 (E_RNA) where: Base-Base interactions energy: -24.921 where: short stacking energy: -15.321 Base-Backbone interact. energy: -0.174 local terms energy: -32.759780 where: bonds (distance) C4'-P energy: -5.779 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -8.096 flat angles P-C4'-P energy: -5.989 tors. eta vs tors. theta energy: -3.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -48.847551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.847551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.847551 (E_RNA) where: Base-Base interactions energy: -21.899 where: short stacking energy: -15.276 Base-Backbone interact. energy: 0.699 local terms energy: -27.647527 where: bonds (distance) C4'-P energy: -6.441 bonds (distance) P-C4' energy: -7.793 flat angles C4'-P-C4' energy: -8.716 flat angles P-C4'-P energy: -3.517 tors. eta vs tors. theta energy: -1.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -44.728440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.728440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.728440 (E_RNA) where: Base-Base interactions energy: -16.202 where: short stacking energy: -16.202 Base-Backbone interact. energy: -0.090 local terms energy: -28.436300 where: bonds (distance) C4'-P energy: -4.749 bonds (distance) P-C4' energy: -8.500 flat angles C4'-P-C4' energy: -7.501 flat angles P-C4'-P energy: -4.577 tors. eta vs tors. theta energy: -3.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -51.848251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.848251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.848251 (E_RNA) where: Base-Base interactions energy: -23.308 where: short stacking energy: -15.449 Base-Backbone interact. energy: -0.107 local terms energy: -28.433623 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.672 flat angles P-C4'-P energy: -2.507 tors. eta vs tors. theta energy: -4.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -41.597942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.597942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.597942 (E_RNA) where: Base-Base interactions energy: -15.418 where: short stacking energy: -9.048 Base-Backbone interact. energy: -0.006 local terms energy: -26.174100 where: bonds (distance) C4'-P energy: -4.297 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -6.711 flat angles P-C4'-P energy: -4.816 tors. eta vs tors. theta energy: -0.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -50.100584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.100584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.100584 (E_RNA) where: Base-Base interactions energy: -23.644 where: short stacking energy: -13.735 Base-Backbone interact. energy: -0.054 local terms energy: -26.402445 where: bonds (distance) C4'-P energy: -6.620 bonds (distance) P-C4' energy: -7.665 flat angles C4'-P-C4' energy: -8.147 flat angles P-C4'-P energy: -3.650 tors. eta vs tors. theta energy: -0.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -72.244957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.244957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.244957 (E_RNA) where: Base-Base interactions energy: -40.335 where: short stacking energy: -24.491 Base-Backbone interact. energy: -0.033 local terms energy: -31.877137 where: bonds (distance) C4'-P energy: -4.740 bonds (distance) P-C4' energy: -9.309 flat angles C4'-P-C4' energy: -8.248 flat angles P-C4'-P energy: -4.214 tors. eta vs tors. theta energy: -5.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -66.504876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.504876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.504876 (E_RNA) where: Base-Base interactions energy: -35.068 where: short stacking energy: -27.166 Base-Backbone interact. energy: -0.077 local terms energy: -31.359860 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.287 flat angles C4'-P-C4' energy: -5.038 flat angles P-C4'-P energy: -3.076 tors. eta vs tors. theta energy: -7.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -56.824933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.824933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.824933 (E_RNA) where: Base-Base interactions energy: -25.239 where: short stacking energy: -25.239 Base-Backbone interact. energy: -0.000 local terms energy: -31.585706 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -5.937 flat angles P-C4'-P energy: -6.092 tors. eta vs tors. theta energy: -5.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -50.220180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.220180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.220180 (E_RNA) where: Base-Base interactions energy: -20.627 where: short stacking energy: -20.627 Base-Backbone interact. energy: -0.102 local terms energy: -29.490497 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -5.910 flat angles C4'-P-C4' energy: -5.935 flat angles P-C4'-P energy: -6.336 tors. eta vs tors. theta energy: -2.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -51.125811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.125811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.125811 (E_RNA) where: Base-Base interactions energy: -20.310 where: short stacking energy: -20.310 Base-Backbone interact. energy: -0.156 local terms energy: -30.659846 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -7.929 flat angles P-C4'-P energy: -3.410 tors. eta vs tors. theta energy: -3.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -48.744767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.744767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.744767 (E_RNA) where: Base-Base interactions energy: -13.939 where: short stacking energy: -13.939 Base-Backbone interact. energy: -0.094 local terms energy: -34.711518 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.092 flat angles P-C4'-P energy: -6.556 tors. eta vs tors. theta energy: -3.676 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: 6 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -47.622801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.622801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.622801 (E_RNA) where: Base-Base interactions energy: -21.680 where: short stacking energy: -8.448 Base-Backbone interact. energy: -1.098 local terms energy: -24.845611 where: bonds (distance) C4'-P energy: -5.229 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -6.909 flat angles P-C4'-P energy: -4.078 tors. eta vs tors. theta energy: 0.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -47.079620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.079620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.079620 (E_RNA) where: Base-Base interactions energy: -17.240 where: short stacking energy: -13.835 Base-Backbone interact. energy: -0.032 local terms energy: -29.807273 where: bonds (distance) C4'-P energy: -8.867 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.053 flat angles P-C4'-P energy: -3.597 tors. eta vs tors. theta energy: -0.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -39.655602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.655602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.655602 (E_RNA) where: Base-Base interactions energy: -6.974 where: short stacking energy: -6.974 Base-Backbone interact. energy: -0.010 local terms energy: -32.671739 where: bonds (distance) C4'-P energy: -6.469 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -6.548 flat angles P-C4'-P energy: -7.497 tors. eta vs tors. theta energy: -3.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -41.399311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.399311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.399311 (E_RNA) where: Base-Base interactions energy: -13.766 where: short stacking energy: -13.766 Base-Backbone interact. energy: -0.008 local terms energy: -27.625108 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -5.749 flat angles P-C4'-P energy: -2.609 tors. eta vs tors. theta energy: -2.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -70.258250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.258250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.258250 (E_RNA) where: Base-Base interactions energy: -38.889 where: short stacking energy: -24.334 Base-Backbone interact. energy: -0.040 local terms energy: -31.329580 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -7.453 flat angles P-C4'-P energy: -3.603 tors. eta vs tors. theta energy: -4.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -70.623947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.623947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.623947 (E_RNA) where: Base-Base interactions energy: -32.742 where: short stacking energy: -32.742 Base-Backbone interact. energy: -0.000 local terms energy: -37.881286 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -8.011 flat angles C4'-P-C4' energy: -8.232 flat angles P-C4'-P energy: -5.410 tors. eta vs tors. theta energy: -9.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -65.695506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.695506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.695506 (E_RNA) where: Base-Base interactions energy: -26.585 where: short stacking energy: -26.585 Base-Backbone interact. energy: -0.000 local terms energy: -39.110020 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -8.525 flat angles P-C4'-P energy: -4.443 tors. eta vs tors. theta energy: -8.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -54.646968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.646968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.646968 (E_RNA) where: Base-Base interactions energy: -20.175 where: short stacking energy: -20.175 Base-Backbone interact. energy: -0.018 local terms energy: -34.453813 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.726 flat angles P-C4'-P energy: -5.417 tors. eta vs tors. theta energy: -5.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -51.585325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.585325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.585325 (E_RNA) where: Base-Base interactions energy: -24.404 where: short stacking energy: -10.640 Base-Backbone interact. energy: -0.011 local terms energy: -27.169917 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -5.474 flat angles C4'-P-C4' energy: -5.208 flat angles P-C4'-P energy: -5.701 tors. eta vs tors. theta energy: -3.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -50.096433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.096433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.096433 (E_RNA) where: Base-Base interactions energy: -23.549 where: short stacking energy: -18.926 Base-Backbone interact. energy: -0.097 local terms energy: -26.450195 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -4.591 flat angles C4'-P-C4' energy: -7.929 flat angles P-C4'-P energy: -4.799 tors. eta vs tors. theta energy: -3.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -44.371839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.371839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.371839 (E_RNA) where: Base-Base interactions energy: -16.066 where: short stacking energy: -13.089 Base-Backbone interact. energy: -0.053 local terms energy: -28.252779 where: bonds (distance) C4'-P energy: -7.419 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -8.120 flat angles P-C4'-P energy: -2.637 tors. eta vs tors. theta energy: -1.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -44.867460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.867460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.867460 (E_RNA) where: Base-Base interactions energy: -20.283 where: short stacking energy: -8.086 Base-Backbone interact. energy: -0.041 local terms energy: -24.543550 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.250 flat angles P-C4'-P energy: -4.983 tors. eta vs tors. theta energy: 2.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -43.946054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.946054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.946054 (E_RNA) where: Base-Base interactions energy: -13.981 where: short stacking energy: -13.981 Base-Backbone interact. energy: -0.002 local terms energy: -29.962947 where: bonds (distance) C4'-P energy: -6.657 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -5.475 flat angles P-C4'-P energy: -3.005 tors. eta vs tors. theta energy: -5.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -43.767791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.767791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.767791 (E_RNA) where: Base-Base interactions energy: -15.841 where: short stacking energy: -15.795 Base-Backbone interact. energy: -0.002 local terms energy: -27.924731 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -5.796 flat angles P-C4'-P energy: -5.334 tors. eta vs tors. theta energy: -3.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -77.299006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.299006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.299006 (E_RNA) where: Base-Base interactions energy: -36.415 where: short stacking energy: -36.415 Base-Backbone interact. energy: -0.000 local terms energy: -40.883548 where: bonds (distance) C4'-P energy: -6.937 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -6.850 flat angles P-C4'-P energy: -6.049 tors. eta vs tors. theta energy: -11.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -61.093395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.093395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.093395 (E_RNA) where: Base-Base interactions energy: -26.603 where: short stacking energy: -24.839 Base-Backbone interact. energy: -0.000 local terms energy: -34.490659 where: bonds (distance) C4'-P energy: -6.202 bonds (distance) P-C4' energy: -8.815 flat angles C4'-P-C4' energy: -8.572 flat angles P-C4'-P energy: -3.452 tors. eta vs tors. theta energy: -7.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -58.521448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.521448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.521448 (E_RNA) where: Base-Base interactions energy: -30.110 where: short stacking energy: -11.773 Base-Backbone interact. energy: -0.229 local terms energy: -28.182842 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -6.896 flat angles P-C4'-P energy: -5.866 tors. eta vs tors. theta energy: 1.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -62.331122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.331122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.331122 (E_RNA) where: Base-Base interactions energy: -28.149 where: short stacking energy: -14.140 Base-Backbone interact. energy: -0.086 local terms energy: -34.096419 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -8.437 flat angles P-C4'-P energy: -5.951 tors. eta vs tors. theta energy: -2.737 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: 229 Temperature: 1.100000 Total energy: -59.081688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.081688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.081688 (E_RNA) where: Base-Base interactions energy: -21.286 where: short stacking energy: -21.286 Base-Backbone interact. energy: -0.020 local terms energy: -37.775301 where: bonds (distance) C4'-P energy: -7.555 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.169 flat angles P-C4'-P energy: -7.506 tors. eta vs tors. theta energy: -4.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -52.210916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.210916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.210916 (E_RNA) where: Base-Base interactions energy: -21.655 where: short stacking energy: -21.655 Base-Backbone interact. energy: -0.006 local terms energy: -30.550313 where: bonds (distance) C4'-P energy: -6.433 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -5.795 flat angles P-C4'-P energy: -1.516 tors. eta vs tors. theta energy: -7.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -51.994372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.994372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.994372 (E_RNA) where: Base-Base interactions energy: -18.653 where: short stacking energy: -15.372 Base-Backbone interact. energy: -0.001 local terms energy: -33.340999 where: bonds (distance) C4'-P energy: -5.945 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -7.143 flat angles P-C4'-P energy: -3.937 tors. eta vs tors. theta energy: -6.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -46.160252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.160252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.160252 (E_RNA) where: Base-Base interactions energy: -12.937 where: short stacking energy: -12.937 Base-Backbone interact. energy: -0.015 local terms energy: -33.208489 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -8.643 flat angles C4'-P-C4' energy: -7.012 flat angles P-C4'-P energy: -5.853 tors. eta vs tors. theta energy: -3.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -47.180746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.180746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.180746 (E_RNA) where: Base-Base interactions energy: -17.798 where: short stacking energy: -17.798 Base-Backbone interact. energy: -0.007 local terms energy: -29.375123 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -7.285 flat angles P-C4'-P energy: -4.346 tors. eta vs tors. theta energy: -2.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -39.532801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.532801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.532801 (E_RNA) where: Base-Base interactions energy: -7.753 where: short stacking energy: -7.753 Base-Backbone interact. energy: 0.051 local terms energy: -31.830457 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -8.338 flat angles P-C4'-P energy: -4.181 tors. eta vs tors. theta energy: -1.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -65.831813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.831813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.831813 (E_RNA) where: Base-Base interactions energy: -29.349 where: short stacking energy: -29.349 Base-Backbone interact. energy: -0.024 local terms energy: -36.458665 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -9.122 flat angles C4'-P-C4' energy: -6.820 flat angles P-C4'-P energy: -6.970 tors. eta vs tors. theta energy: -8.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -65.392353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.392353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.392353 (E_RNA) where: Base-Base interactions energy: -32.807 where: short stacking energy: -25.583 Base-Backbone interact. energy: -0.033 local terms energy: -32.552496 where: bonds (distance) C4'-P energy: -5.087 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -5.376 flat angles P-C4'-P energy: -5.575 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: 3, replica: 9 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -56.922595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.922595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.922595 (E_RNA) where: Base-Base interactions energy: -23.111 where: short stacking energy: -23.111 Base-Backbone interact. energy: -0.000 local terms energy: -33.811455 where: bonds (distance) C4'-P energy: -8.250 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -9.063 flat angles P-C4'-P energy: -4.632 tors. eta vs tors. theta energy: -2.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -50.148237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.148237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.148237 (E_RNA) where: Base-Base interactions energy: -20.448 where: short stacking energy: -20.448 Base-Backbone interact. energy: -0.061 local terms energy: -29.639792 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.734 flat angles P-C4'-P energy: -4.179 tors. eta vs tors. theta energy: -2.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -59.405812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.405812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.405812 (E_RNA) where: Base-Base interactions energy: -30.112 where: short stacking energy: -30.112 Base-Backbone interact. energy: -0.009 local terms energy: -29.284910 where: bonds (distance) C4'-P energy: -8.474 bonds (distance) P-C4' energy: -8.027 flat angles C4'-P-C4' energy: -3.125 flat angles P-C4'-P energy: -2.384 tors. eta vs tors. theta energy: -7.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -56.653293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.653293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.653293 (E_RNA) where: Base-Base interactions energy: -22.094 where: short stacking energy: -21.615 Base-Backbone interact. energy: -0.000 local terms energy: -34.559708 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -7.380 flat angles P-C4'-P energy: -1.801 tors. eta vs tors. theta energy: -10.747 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: 6 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -51.854507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.854507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.854507 (E_RNA) where: Base-Base interactions energy: -19.845 where: short stacking energy: -19.845 Base-Backbone interact. energy: -0.003 local terms energy: -32.006232 where: bonds (distance) C4'-P energy: -7.989 bonds (distance) P-C4' energy: -8.510 flat angles C4'-P-C4' energy: -5.829 flat angles P-C4'-P energy: -4.994 tors. eta vs tors. theta energy: -4.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -45.818945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.818945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.818945 (E_RNA) where: Base-Base interactions energy: -16.302 where: short stacking energy: -15.384 Base-Backbone interact. energy: -0.010 local terms energy: -29.507267 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -8.718 flat angles P-C4'-P energy: -3.148 tors. eta vs tors. theta energy: -1.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -45.428841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.428841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.428841 (E_RNA) where: Base-Base interactions energy: -19.665 where: short stacking energy: -14.511 Base-Backbone interact. energy: -0.002 local terms energy: -25.761932 where: bonds (distance) C4'-P energy: -8.280 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -4.615 flat angles P-C4'-P energy: -3.190 tors. eta vs tors. theta energy: -2.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -42.207529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.207529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.207529 (E_RNA) where: Base-Base interactions energy: -14.762 where: short stacking energy: -11.203 Base-Backbone interact. energy: -0.239 local terms energy: -27.206399 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -5.907 flat angles P-C4'-P energy: -5.515 tors. eta vs tors. theta energy: -0.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -65.241271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.241271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.241271 (E_RNA) where: Base-Base interactions energy: -27.711 where: short stacking energy: -27.711 Base-Backbone interact. energy: -0.000 local terms energy: -37.530035 where: bonds (distance) C4'-P energy: -7.568 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -7.189 flat angles P-C4'-P energy: -3.739 tors. eta vs tors. theta energy: -10.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -60.097855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.097855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.097855 (E_RNA) where: Base-Base interactions energy: -25.650 where: short stacking energy: -17.831 Base-Backbone interact. energy: -0.394 local terms energy: -34.053594 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -8.228 flat angles P-C4'-P energy: -5.924 tors. eta vs tors. theta energy: -3.413 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: 3 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -56.654213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.654213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.654213 (E_RNA) where: Base-Base interactions energy: -21.883 where: short stacking energy: -21.883 Base-Backbone interact. energy: -0.001 local terms energy: -34.770768 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -7.339 flat angles C4'-P-C4' energy: -8.245 flat angles P-C4'-P energy: -5.071 tors. eta vs tors. theta energy: -7.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -63.746206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.746206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.746206 (E_RNA) where: Base-Base interactions energy: -27.441 where: short stacking energy: -27.267 Base-Backbone interact. energy: -0.000 local terms energy: -36.305131 where: bonds (distance) C4'-P energy: -6.851 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -5.385 flat angles P-C4'-P energy: -6.972 tors. eta vs tors. theta energy: -7.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -60.157829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.157829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.157829 (E_RNA) where: Base-Base interactions energy: -22.653 where: short stacking energy: -19.123 Base-Backbone interact. energy: -0.000 local terms energy: -37.504658 where: bonds (distance) C4'-P energy: -7.307 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -8.903 flat angles P-C4'-P energy: -6.159 tors. eta vs tors. theta energy: -6.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -50.248091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.248091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.248091 (E_RNA) where: Base-Base interactions energy: -23.663 where: short stacking energy: -19.865 Base-Backbone interact. energy: 0.101 local terms energy: -26.686020 where: bonds (distance) C4'-P energy: -2.906 bonds (distance) P-C4' energy: -9.041 flat angles C4'-P-C4' energy: -5.321 flat angles P-C4'-P energy: -5.237 tors. eta vs tors. theta energy: -4.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -56.845448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.845448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.845448 (E_RNA) where: Base-Base interactions energy: -26.921 where: short stacking energy: -26.921 Base-Backbone interact. energy: -0.000 local terms energy: -29.924879 where: bonds (distance) C4'-P energy: -3.476 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -6.630 flat angles P-C4'-P energy: -4.691 tors. eta vs tors. theta energy: -7.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -42.170662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.170662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.170662 (E_RNA) where: Base-Base interactions energy: -18.678 where: short stacking energy: -12.159 Base-Backbone interact. energy: -0.165 local terms energy: -23.328103 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -4.883 flat angles C4'-P-C4' energy: -4.737 flat angles P-C4'-P energy: -5.115 tors. eta vs tors. theta energy: -0.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -43.287006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.287006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.287006 (E_RNA) where: Base-Base interactions energy: -18.299 where: short stacking energy: -14.327 Base-Backbone interact. energy: -0.104 local terms energy: -24.884046 where: bonds (distance) C4'-P energy: -4.809 bonds (distance) P-C4' energy: -9.591 flat angles C4'-P-C4' energy: -5.337 flat angles P-C4'-P energy: -3.234 tors. eta vs tors. theta energy: -1.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -48.614671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.614671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.614671 (E_RNA) where: Base-Base interactions energy: -17.517 where: short stacking energy: -17.517 Base-Backbone interact. energy: -0.004 local terms energy: -31.093943 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -5.239 flat angles P-C4'-P energy: -5.947 tors. eta vs tors. theta energy: -5.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -61.488934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.488934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.488934 (E_RNA) where: Base-Base interactions energy: -27.258 where: short stacking energy: -26.828 Base-Backbone interact. energy: -0.000 local terms energy: -34.230622 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -6.580 flat angles P-C4'-P energy: -5.650 tors. eta vs tors. theta energy: -4.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -78.528319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.528319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.528319 (E_RNA) where: Base-Base interactions energy: -39.539 where: short stacking energy: -28.658 Base-Backbone interact. energy: -1.261 local terms energy: -37.728299 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -7.622 flat angles P-C4'-P energy: -4.992 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: 3, replica: 1 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -61.335881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.335881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.335881 (E_RNA) where: Base-Base interactions energy: -23.332 where: short stacking energy: -23.332 Base-Backbone interact. energy: -0.000 local terms energy: -38.004145 where: bonds (distance) C4'-P energy: -7.908 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.692 flat angles P-C4'-P energy: -4.850 tors. eta vs tors. theta energy: -7.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -55.126896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.126896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.126896 (E_RNA) where: Base-Base interactions energy: -29.065 where: short stacking energy: -20.829 Base-Backbone interact. energy: -0.183 local terms energy: -25.879608 where: bonds (distance) C4'-P energy: -6.186 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -6.873 flat angles P-C4'-P energy: -3.622 tors. eta vs tors. theta energy: -1.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -61.051178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.051178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.051178 (E_RNA) where: Base-Base interactions energy: -25.804 where: short stacking energy: -25.804 Base-Backbone interact. energy: 0.224 local terms energy: -35.471551 where: bonds (distance) C4'-P energy: -6.077 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.554 flat angles P-C4'-P energy: -5.589 tors. eta vs tors. theta energy: -7.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -47.356995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.356995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.356995 (E_RNA) where: Base-Base interactions energy: -18.797 where: short stacking energy: -18.797 Base-Backbone interact. energy: -0.183 local terms energy: -28.377071 where: bonds (distance) C4'-P energy: -6.645 bonds (distance) P-C4' energy: -7.217 flat angles C4'-P-C4' energy: -8.001 flat angles P-C4'-P energy: -3.418 tors. eta vs tors. theta energy: -3.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -49.648430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.648430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.648430 (E_RNA) where: Base-Base interactions energy: -19.782 where: short stacking energy: -14.071 Base-Backbone interact. energy: -0.113 local terms energy: -29.752737 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -7.893 flat angles P-C4'-P energy: -5.096 tors. eta vs tors. theta energy: -4.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -49.148835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.148835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.148835 (E_RNA) where: Base-Base interactions energy: -27.212 where: short stacking energy: -18.867 Base-Backbone interact. energy: 0.389 local terms energy: -22.325792 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -5.308 flat angles P-C4'-P energy: -0.253 tors. eta vs tors. theta energy: -2.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -44.276762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.276762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.276762 (E_RNA) where: Base-Base interactions energy: -21.322 where: short stacking energy: -14.516 Base-Backbone interact. energy: -0.106 local terms energy: -22.849013 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -1.474 flat angles P-C4'-P energy: -2.359 tors. eta vs tors. theta energy: -2.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -41.736587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.736587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.736587 (E_RNA) where: Base-Base interactions energy: -15.196 where: short stacking energy: -13.325 Base-Backbone interact. energy: -0.070 local terms energy: -26.470302 where: bonds (distance) C4'-P energy: -6.002 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -7.020 flat angles P-C4'-P energy: -3.935 tors. eta vs tors. theta energy: -1.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -64.822701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.822701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.822701 (E_RNA) where: Base-Base interactions energy: -28.226 where: short stacking energy: -21.816 Base-Backbone interact. energy: -0.527 local terms energy: -36.068978 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.821 flat angles P-C4'-P energy: -6.882 tors. eta vs tors. theta energy: -5.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -64.040515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.040515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.040515 (E_RNA) where: Base-Base interactions energy: -25.929 where: short stacking energy: -25.929 Base-Backbone interact. energy: -0.009 local terms energy: -38.102195 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -8.544 flat angles P-C4'-P energy: -5.942 tors. eta vs tors. theta energy: -7.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -61.179712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.179712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.179712 (E_RNA) where: Base-Base interactions energy: -29.390 where: short stacking energy: -18.406 Base-Backbone interact. energy: -0.012 local terms energy: -31.778368 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.116 flat angles P-C4'-P energy: -4.324 tors. eta vs tors. theta energy: -3.649 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: 233 Temperature: 1.050000 Total energy: -57.016130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.016130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.016130 (E_RNA) where: Base-Base interactions energy: -21.718 where: short stacking energy: -19.832 Base-Backbone interact. energy: -0.097 local terms energy: -35.201518 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -8.234 flat angles P-C4'-P energy: -5.336 tors. eta vs tors. theta energy: -6.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -61.840449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.840449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.840449 (E_RNA) where: Base-Base interactions energy: -24.821 where: short stacking energy: -23.360 Base-Backbone interact. energy: -0.002 local terms energy: -37.016996 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -8.677 flat angles P-C4'-P energy: -4.025 tors. eta vs tors. theta energy: -6.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -48.103550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.103550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.103550 (E_RNA) where: Base-Base interactions energy: -21.747 where: short stacking energy: -21.747 Base-Backbone interact. energy: -0.001 local terms energy: -26.355318 where: bonds (distance) C4'-P energy: -5.087 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -3.562 flat angles P-C4'-P energy: -4.710 tors. eta vs tors. theta energy: -4.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -47.979323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.979323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.979323 (E_RNA) where: Base-Base interactions energy: -16.621 where: short stacking energy: -10.717 Base-Backbone interact. energy: -0.097 local terms energy: -31.261004 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -6.234 flat angles P-C4'-P energy: -6.003 tors. eta vs tors. theta energy: -3.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -57.393289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.393289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.393289 (E_RNA) where: Base-Base interactions energy: -26.201 where: short stacking energy: -15.510 Base-Backbone interact. energy: -0.008 local terms energy: -31.184611 where: bonds (distance) C4'-P energy: -5.999 bonds (distance) P-C4' energy: -7.398 flat angles C4'-P-C4' energy: -7.806 flat angles P-C4'-P energy: -4.853 tors. eta vs tors. theta energy: -5.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -49.418483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.418483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.418483 (E_RNA) where: Base-Base interactions energy: -26.923 where: short stacking energy: -19.429 Base-Backbone interact. energy: -0.008 local terms energy: -22.487475 where: bonds (distance) C4'-P energy: -5.494 bonds (distance) P-C4' energy: -5.296 flat angles C4'-P-C4' energy: -5.206 flat angles P-C4'-P energy: -4.815 tors. eta vs tors. theta energy: -1.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -41.708626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.708626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.708626 (E_RNA) where: Base-Base interactions energy: -13.534 where: short stacking energy: -13.534 Base-Backbone interact. energy: -0.000 local terms energy: -28.174256 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -8.240 flat angles C4'-P-C4' energy: -5.296 flat angles P-C4'-P energy: -3.497 tors. eta vs tors. theta energy: -3.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -73.751511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.751511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.751511 (E_RNA) where: Base-Base interactions energy: -31.893 where: short stacking energy: -31.893 Base-Backbone interact. energy: -0.000 local terms energy: -41.858375 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -8.256 flat angles C4'-P-C4' energy: -9.089 flat angles P-C4'-P energy: -5.341 tors. eta vs tors. theta energy: -11.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -61.897963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.897963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.897963 (E_RNA) where: Base-Base interactions energy: -25.851 where: short stacking energy: -22.365 Base-Backbone interact. energy: -0.000 local terms energy: -36.046990 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -6.648 flat angles P-C4'-P energy: -6.173 tors. eta vs tors. theta energy: -8.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -71.316515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.316515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.316515 (E_RNA) where: Base-Base interactions energy: -33.572 where: short stacking energy: -33.572 Base-Backbone interact. energy: -0.001 local terms energy: -37.743456 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -5.938 flat angles P-C4'-P energy: -5.602 tors. eta vs tors. theta energy: -9.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -52.889963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.889963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.889963 (E_RNA) where: Base-Base interactions energy: -24.755 where: short stacking energy: -24.755 Base-Backbone interact. energy: -0.056 local terms energy: -28.078805 where: bonds (distance) C4'-P energy: -3.593 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -5.061 tors. eta vs tors. theta energy: -4.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -53.140967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.140967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.140967 (E_RNA) where: Base-Base interactions energy: -21.210 where: short stacking energy: -21.210 Base-Backbone interact. energy: -0.477 local terms energy: -31.453627 where: bonds (distance) C4'-P energy: -6.863 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -8.033 flat angles P-C4'-P energy: -5.427 tors. eta vs tors. theta energy: -2.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -52.121685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.121685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.121685 (E_RNA) where: Base-Base interactions energy: -22.522 where: short stacking energy: -22.522 Base-Backbone interact. energy: 0.873 local terms energy: -30.472283 where: bonds (distance) C4'-P energy: -7.438 bonds (distance) P-C4' energy: -7.060 flat angles C4'-P-C4' energy: -4.313 flat angles P-C4'-P energy: -5.524 tors. eta vs tors. theta energy: -6.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -50.423263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.423263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.423263 (E_RNA) where: Base-Base interactions energy: -20.703 where: short stacking energy: -20.803 Base-Backbone interact. energy: -0.000 local terms energy: -29.720141 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.425 flat angles P-C4'-P energy: -3.940 tors. eta vs tors. theta energy: -3.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -48.371455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.371455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.371455 (E_RNA) where: Base-Base interactions energy: -15.539 where: short stacking energy: -15.539 Base-Backbone interact. energy: -0.017 local terms energy: -32.814739 where: bonds (distance) C4'-P energy: -4.242 bonds (distance) P-C4' energy: -9.034 flat angles C4'-P-C4' energy: -8.414 flat angles P-C4'-P energy: -5.393 tors. eta vs tors. theta energy: -5.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -41.902995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.902995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.902995 (E_RNA) where: Base-Base interactions energy: -16.095 where: short stacking energy: -16.095 Base-Backbone interact. energy: -0.016 local terms energy: -25.792186 where: bonds (distance) C4'-P energy: -4.036 bonds (distance) P-C4' energy: -5.825 flat angles C4'-P-C4' energy: -6.579 flat angles P-C4'-P energy: -5.585 tors. eta vs tors. theta energy: -3.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -44.310163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.310163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.310163 (E_RNA) where: Base-Base interactions energy: -21.968 where: short stacking energy: -9.887 Base-Backbone interact. energy: -0.057 local terms energy: -22.285235 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -8.437 flat angles C4'-P-C4' energy: -7.338 flat angles P-C4'-P energy: -3.850 tors. eta vs tors. theta energy: 4.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -65.278770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.278770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.278770 (E_RNA) where: Base-Base interactions energy: -28.973 where: short stacking energy: -24.449 Base-Backbone interact. energy: -0.000 local terms energy: -36.305298 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.452 flat angles P-C4'-P energy: -4.296 tors. eta vs tors. theta energy: -7.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -56.207195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.207195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.207195 (E_RNA) where: Base-Base interactions energy: -22.829 where: short stacking energy: -22.829 Base-Backbone interact. energy: -0.001 local terms energy: -33.377380 where: bonds (distance) C4'-P energy: -6.405 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.062 flat angles P-C4'-P energy: -6.320 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: 3, replica: 9 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -56.147995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.147995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.147995 (E_RNA) where: Base-Base interactions energy: -24.308 where: short stacking energy: -24.308 Base-Backbone interact. energy: -0.190 local terms energy: -31.649232 where: bonds (distance) C4'-P energy: -7.005 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -7.231 flat angles P-C4'-P energy: -5.274 tors. eta vs tors. theta energy: -4.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -53.837386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.837386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.837386 (E_RNA) where: Base-Base interactions energy: -23.645 where: short stacking energy: -23.048 Base-Backbone interact. energy: -0.012 local terms energy: -30.180373 where: bonds (distance) C4'-P energy: -7.266 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -5.665 flat angles P-C4'-P energy: -5.447 tors. eta vs tors. theta energy: -4.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -59.987864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.987864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.987864 (E_RNA) where: Base-Base interactions energy: -24.244 where: short stacking energy: -24.244 Base-Backbone interact. energy: -0.147 local terms energy: -35.596426 where: bonds (distance) C4'-P energy: -5.511 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -7.462 flat angles P-C4'-P energy: -7.703 tors. eta vs tors. theta energy: -6.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -45.864763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.864763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.864763 (E_RNA) where: Base-Base interactions energy: -10.750 where: short stacking energy: -8.182 Base-Backbone interact. energy: -0.007 local terms energy: -35.108282 where: bonds (distance) C4'-P energy: -6.664 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.723 flat angles P-C4'-P energy: -6.558 tors. eta vs tors. theta energy: -6.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -50.473898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.473898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.473898 (E_RNA) where: Base-Base interactions energy: -19.668 where: short stacking energy: -19.668 Base-Backbone interact. energy: -0.001 local terms energy: -30.805477 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -7.653 flat angles C4'-P-C4' energy: -7.343 flat angles P-C4'-P energy: -3.216 tors. eta vs tors. theta energy: -4.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -52.555289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.555289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.555289 (E_RNA) where: Base-Base interactions energy: -20.896 where: short stacking energy: -18.778 Base-Backbone interact. energy: 0.095 local terms energy: -31.753882 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -3.673 flat angles P-C4'-P energy: -5.174 tors. eta vs tors. theta energy: -8.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -40.881235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.881235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.881235 (E_RNA) where: Base-Base interactions energy: -15.187 where: short stacking energy: -14.721 Base-Backbone interact. energy: -0.078 local terms energy: -25.616892 where: bonds (distance) C4'-P energy: -5.643 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -7.558 flat angles P-C4'-P energy: -4.695 tors. eta vs tors. theta energy: -0.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -39.110075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.110075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.110075 (E_RNA) where: Base-Base interactions energy: -9.916 where: short stacking energy: -9.916 Base-Backbone interact. energy: -0.000 local terms energy: -29.193667 where: bonds (distance) C4'-P energy: -6.383 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -6.841 flat angles P-C4'-P energy: -5.741 tors. eta vs tors. theta energy: -1.804 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: 8 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -63.432711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.432711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.432711 (E_RNA) where: Base-Base interactions energy: -31.275 where: short stacking energy: -18.343 Base-Backbone interact. energy: -0.005 local terms energy: -32.152542 where: bonds (distance) C4'-P energy: -7.530 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.619 flat angles P-C4'-P energy: -5.612 tors. eta vs tors. theta energy: -3.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -74.345349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.345349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.345349 (E_RNA) where: Base-Base interactions energy: -37.648 where: short stacking energy: -25.331 Base-Backbone interact. energy: -0.001 local terms energy: -36.696911 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -7.920 flat angles P-C4'-P energy: -6.692 tors. eta vs tors. theta energy: -7.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -60.026498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.026498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.026498 (E_RNA) where: Base-Base interactions energy: -22.919 where: short stacking energy: -22.919 Base-Backbone interact. energy: -0.001 local terms energy: -37.106748 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.617 flat angles P-C4'-P energy: -7.198 tors. eta vs tors. theta energy: -6.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -57.185574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.185574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.185574 (E_RNA) where: Base-Base interactions energy: -24.513 where: short stacking energy: -24.513 Base-Backbone interact. energy: -0.002 local terms energy: -32.671043 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -7.398 flat angles P-C4'-P energy: -5.547 tors. eta vs tors. theta energy: -6.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -60.731557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.731557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.731557 (E_RNA) where: Base-Base interactions energy: -26.755 where: short stacking energy: -26.755 Base-Backbone interact. energy: -0.000 local terms energy: -33.976492 where: bonds (distance) C4'-P energy: -6.674 bonds (distance) P-C4' energy: -8.544 flat angles C4'-P-C4' energy: -6.557 flat angles P-C4'-P energy: -5.445 tors. eta vs tors. theta energy: -6.757 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: 7 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -43.650789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.650789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.650789 (E_RNA) where: Base-Base interactions energy: -21.613 where: short stacking energy: -13.092 Base-Backbone interact. energy: -0.020 local terms energy: -22.018007 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.693 flat angles P-C4'-P energy: -2.965 tors. eta vs tors. theta energy: 3.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -43.971148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.971148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.971148 (E_RNA) where: Base-Base interactions energy: -20.850 where: short stacking energy: -20.850 Base-Backbone interact. energy: -0.215 local terms energy: -22.906547 where: bonds (distance) C4'-P energy: -3.498 bonds (distance) P-C4' energy: -6.258 flat angles C4'-P-C4' energy: -7.808 flat angles P-C4'-P energy: -2.454 tors. eta vs tors. theta energy: -2.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -53.369755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.369755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.369755 (E_RNA) where: Base-Base interactions energy: -21.211 where: short stacking energy: -21.211 Base-Backbone interact. energy: -0.003 local terms energy: -32.156255 where: bonds (distance) C4'-P energy: -5.626 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -5.694 flat angles P-C4'-P energy: -4.619 tors. eta vs tors. theta energy: -8.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -46.895089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.895089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.895089 (E_RNA) where: Base-Base interactions energy: -14.599 where: short stacking energy: -14.599 Base-Backbone interact. energy: -0.006 local terms energy: -32.289707 where: bonds (distance) C4'-P energy: -8.299 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -5.778 flat angles P-C4'-P energy: -2.698 tors. eta vs tors. theta energy: -5.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -40.890878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.890878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.890878 (E_RNA) where: Base-Base interactions energy: -13.466 where: short stacking energy: -13.466 Base-Backbone interact. energy: -0.216 local terms energy: -27.209148 where: bonds (distance) C4'-P energy: -5.410 bonds (distance) P-C4' energy: -7.947 flat angles C4'-P-C4' energy: -5.955 flat angles P-C4'-P energy: -5.462 tors. eta vs tors. theta energy: -2.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -62.633363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.633363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.633363 (E_RNA) where: Base-Base interactions energy: -24.094 where: short stacking energy: -24.094 Base-Backbone interact. energy: -0.000 local terms energy: -38.539113 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.092 flat angles P-C4'-P energy: -5.710 tors. eta vs tors. theta energy: -7.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -61.807703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.807703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.807703 (E_RNA) where: Base-Base interactions energy: -32.316 where: short stacking energy: -18.150 Base-Backbone interact. energy: 0.840 local terms energy: -30.331573 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.562 flat angles P-C4'-P energy: -5.523 tors. eta vs tors. theta energy: -2.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -60.096852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.096852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.096852 (E_RNA) where: Base-Base interactions energy: -30.385 where: short stacking energy: -21.056 Base-Backbone interact. energy: -0.153 local terms energy: -29.558983 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -7.224 flat angles P-C4'-P energy: -4.956 tors. eta vs tors. theta energy: -5.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -56.127793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.127793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.127793 (E_RNA) where: Base-Base interactions energy: -22.570 where: short stacking energy: -22.570 Base-Backbone interact. energy: -0.003 local terms energy: -33.554889 where: bonds (distance) C4'-P energy: -6.488 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.740 flat angles P-C4'-P energy: -5.124 tors. eta vs tors. theta energy: -5.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -48.588627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.588627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.588627 (E_RNA) where: Base-Base interactions energy: -17.561 where: short stacking energy: -17.561 Base-Backbone interact. energy: -0.048 local terms energy: -30.979340 where: bonds (distance) C4'-P energy: -7.679 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -8.000 flat angles P-C4'-P energy: -2.544 tors. eta vs tors. theta energy: -3.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -48.808452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.808452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.808452 (E_RNA) where: Base-Base interactions energy: -21.021 where: short stacking energy: -21.021 Base-Backbone interact. energy: -0.013 local terms energy: -27.774051 where: bonds (distance) C4'-P energy: -7.667 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -2.744 flat angles P-C4'-P energy: -3.057 tors. eta vs tors. theta energy: -5.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -45.011964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.011964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.011964 (E_RNA) where: Base-Base interactions energy: -20.384 where: short stacking energy: -10.994 Base-Backbone interact. energy: -0.101 local terms energy: -24.526378 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -4.533 flat angles C4'-P-C4' energy: -8.515 flat angles P-C4'-P energy: 0.974 tors. eta vs tors. theta energy: -4.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -50.188894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.188894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.188894 (E_RNA) where: Base-Base interactions energy: -20.680 where: short stacking energy: -20.680 Base-Backbone interact. energy: -0.001 local terms energy: -29.508011 where: bonds (distance) C4'-P energy: -6.578 bonds (distance) P-C4' energy: -6.477 flat angles C4'-P-C4' energy: -5.721 flat angles P-C4'-P energy: -3.563 tors. eta vs tors. theta energy: -7.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -49.771545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.771545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.771545 (E_RNA) where: Base-Base interactions energy: -23.040 where: short stacking energy: -16.994 Base-Backbone interact. energy: -0.003 local terms energy: -26.728807 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -8.228 flat angles P-C4'-P energy: -3.767 tors. eta vs tors. theta energy: -1.569 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: 10 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -60.166604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.166604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.166604 (E_RNA) where: Base-Base interactions energy: -25.743 where: short stacking energy: -20.422 Base-Backbone interact. energy: -0.002 local terms energy: -34.422019 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -8.374 flat angles P-C4'-P energy: -4.613 tors. eta vs tors. theta energy: -3.358 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: 1 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -70.900601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.900601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.900601 (E_RNA) where: Base-Base interactions energy: -33.845 where: short stacking energy: -33.845 Base-Backbone interact. energy: -0.003 local terms energy: -37.053017 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -6.508 flat angles P-C4'-P energy: -4.592 tors. eta vs tors. theta energy: -8.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -68.048401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.048401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.048401 (E_RNA) where: Base-Base interactions energy: -29.766 where: short stacking energy: -29.766 Base-Backbone interact. energy: -0.000 local terms energy: -38.282363 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -7.963 flat angles P-C4'-P energy: -3.434 tors. eta vs tors. theta energy: -11.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -59.371539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.371539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.371539 (E_RNA) where: Base-Base interactions energy: -27.646 where: short stacking energy: -27.646 Base-Backbone interact. energy: -0.000 local terms energy: -31.724945 where: bonds (distance) C4'-P energy: -7.021 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -6.229 flat angles P-C4'-P energy: -3.854 tors. eta vs tors. theta energy: -6.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -58.187877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.187877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.187877 (E_RNA) where: Base-Base interactions energy: -24.313 where: short stacking energy: -23.639 Base-Backbone interact. energy: -0.000 local terms energy: -33.874555 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -7.162 flat angles C4'-P-C4' energy: -7.955 flat angles P-C4'-P energy: -4.255 tors. eta vs tors. theta energy: -6.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -53.113058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.113058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.113058 (E_RNA) where: Base-Base interactions energy: -19.207 where: short stacking energy: -19.207 Base-Backbone interact. energy: -0.099 local terms energy: -33.807200 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -5.832 flat angles C4'-P-C4' energy: -7.108 flat angles P-C4'-P energy: -5.380 tors. eta vs tors. theta energy: -6.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -42.191686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.191686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.191686 (E_RNA) where: Base-Base interactions energy: -14.878 where: short stacking energy: -14.088 Base-Backbone interact. energy: -0.122 local terms energy: -27.191817 where: bonds (distance) C4'-P energy: -5.282 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -5.985 flat angles P-C4'-P energy: -6.376 tors. eta vs tors. theta energy: -1.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -43.712192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.712192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.712192 (E_RNA) where: Base-Base interactions energy: -21.136 where: short stacking energy: -15.856 Base-Backbone interact. energy: -0.044 local terms energy: -22.531849 where: bonds (distance) C4'-P energy: -4.794 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: 0.803 tors. eta vs tors. theta energy: -4.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -54.811188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.811188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.811188 (E_RNA) where: Base-Base interactions energy: -23.568 where: short stacking energy: -22.816 Base-Backbone interact. energy: -0.001 local terms energy: -31.242185 where: bonds (distance) C4'-P energy: -6.469 bonds (distance) P-C4' energy: -7.062 flat angles C4'-P-C4' energy: -6.639 flat angles P-C4'-P energy: -4.953 tors. eta vs tors. theta energy: -6.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -42.449109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.449109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.449109 (E_RNA) where: Base-Base interactions energy: -15.848 where: short stacking energy: -10.267 Base-Backbone interact. energy: -0.036 local terms energy: -26.565129 where: bonds (distance) C4'-P energy: -7.575 bonds (distance) P-C4' energy: -5.771 flat angles C4'-P-C4' energy: -9.142 flat angles P-C4'-P energy: -3.672 tors. eta vs tors. theta energy: -0.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -48.079910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.079910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.079910 (E_RNA) where: Base-Base interactions energy: -22.125 where: short stacking energy: -22.125 Base-Backbone interact. energy: -0.055 local terms energy: -25.899704 where: bonds (distance) C4'-P energy: -4.106 bonds (distance) P-C4' energy: -4.970 flat angles C4'-P-C4' energy: -5.905 flat angles P-C4'-P energy: -5.518 tors. eta vs tors. theta energy: -5.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -65.536016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.536016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.536016 (E_RNA) where: Base-Base interactions energy: -28.467 where: short stacking energy: -28.467 Base-Backbone interact. energy: -0.004 local terms energy: -37.065483 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -7.526 flat angles P-C4'-P energy: -5.527 tors. eta vs tors. theta energy: -8.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -61.305496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.305496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.305496 (E_RNA) where: Base-Base interactions energy: -26.357 where: short stacking energy: -26.357 Base-Backbone interact. energy: -0.001 local terms energy: -34.947845 where: bonds (distance) C4'-P energy: -6.693 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.966 flat angles P-C4'-P energy: -4.627 tors. eta vs tors. theta energy: -7.025 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: 6 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -58.119879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.119879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.119879 (E_RNA) where: Base-Base interactions energy: -24.735 where: short stacking energy: -24.735 Base-Backbone interact. energy: 1.412 local terms energy: -34.797573 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -6.985 flat angles P-C4'-P energy: -6.362 tors. eta vs tors. theta energy: -7.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -56.561681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.561681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.561681 (E_RNA) where: Base-Base interactions energy: -24.248 where: short stacking energy: -23.903 Base-Backbone interact. energy: -0.000 local terms energy: -32.312891 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -6.523 flat angles C4'-P-C4' energy: -8.280 flat angles P-C4'-P energy: -4.037 tors. eta vs tors. theta energy: -5.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -43.826636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.826636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.826636 (E_RNA) where: Base-Base interactions energy: -17.846 where: short stacking energy: -4.778 Base-Backbone interact. energy: 0.319 local terms energy: -26.298900 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -6.594 flat angles C4'-P-C4' energy: -8.995 flat angles P-C4'-P energy: -2.176 tors. eta vs tors. theta energy: -0.023 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: 4 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -57.462034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.462034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.462034 (E_RNA) where: Base-Base interactions energy: -20.943 where: short stacking energy: -20.943 Base-Backbone interact. energy: -0.000 local terms energy: -36.518917 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -8.057 flat angles P-C4'-P energy: -6.279 tors. eta vs tors. theta energy: -6.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -51.338539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.338539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.338539 (E_RNA) where: Base-Base interactions energy: -21.017 where: short stacking energy: -21.017 Base-Backbone interact. energy: -0.108 local terms energy: -30.213977 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -8.796 flat angles C4'-P-C4' energy: -4.622 flat angles P-C4'-P energy: -5.272 tors. eta vs tors. theta energy: -4.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -47.060876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.060876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.060876 (E_RNA) where: Base-Base interactions energy: -18.578 where: short stacking energy: -14.756 Base-Backbone interact. energy: -0.481 local terms energy: -28.002382 where: bonds (distance) C4'-P energy: -4.147 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -6.160 flat angles P-C4'-P energy: -6.138 tors. eta vs tors. theta energy: -2.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -45.374939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.374939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.374939 (E_RNA) where: Base-Base interactions energy: -17.213 where: short stacking energy: -17.213 Base-Backbone interact. energy: 0.338 local terms energy: -28.499210 where: bonds (distance) C4'-P energy: -5.133 bonds (distance) P-C4' energy: -5.708 flat angles C4'-P-C4' energy: -8.370 flat angles P-C4'-P energy: -5.198 tors. eta vs tors. theta energy: -4.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -38.135566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.135566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.135566 (E_RNA) where: Base-Base interactions energy: -10.168 where: short stacking energy: -10.168 Base-Backbone interact. energy: -0.136 local terms energy: -27.830985 where: bonds (distance) C4'-P energy: -8.006 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.899 flat angles P-C4'-P energy: -4.719 tors. eta vs tors. theta energy: -0.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -56.074851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.074851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.074851 (E_RNA) where: Base-Base interactions energy: -22.917 where: short stacking energy: -22.917 Base-Backbone interact. energy: -0.000 local terms energy: -33.157792 where: bonds (distance) C4'-P energy: -7.439 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -4.293 flat angles P-C4'-P energy: -4.799 tors. eta vs tors. theta energy: -6.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -58.330957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.330957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.330957 (E_RNA) where: Base-Base interactions energy: -22.526 where: short stacking energy: -22.526 Base-Backbone interact. energy: -0.098 local terms energy: -35.707464 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.248 flat angles P-C4'-P energy: -7.468 tors. eta vs tors. theta energy: -7.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -65.423419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.423419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.423419 (E_RNA) where: Base-Base interactions energy: -31.072 where: short stacking energy: -27.235 Base-Backbone interact. energy: -0.001 local terms energy: -34.350351 where: bonds (distance) C4'-P energy: -6.664 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.328 flat angles P-C4'-P energy: -6.053 tors. eta vs tors. theta energy: -5.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -55.462533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.462533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.462533 (E_RNA) where: Base-Base interactions energy: -22.838 where: short stacking energy: -22.838 Base-Backbone interact. energy: -0.001 local terms energy: -32.624244 where: bonds (distance) C4'-P energy: -3.536 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.001 flat angles P-C4'-P energy: -5.521 tors. eta vs tors. theta energy: -6.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -49.062695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.062695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.062695 (E_RNA) where: Base-Base interactions energy: -19.936 where: short stacking energy: -12.999 Base-Backbone interact. energy: -0.225 local terms energy: -28.901687 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -8.886 flat angles C4'-P-C4' energy: -7.683 flat angles P-C4'-P energy: -2.754 tors. eta vs tors. theta energy: -1.323 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: 6, replica: 4 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -46.560842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.560842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.560842 (E_RNA) where: Base-Base interactions energy: -19.523 where: short stacking energy: -17.326 Base-Backbone interact. energy: -0.068 local terms energy: -26.969963 where: bonds (distance) C4'-P energy: -6.893 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -6.973 flat angles P-C4'-P energy: -2.945 tors. eta vs tors. theta energy: -1.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -57.578060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.578060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.578060 (E_RNA) where: Base-Base interactions energy: -28.708 where: short stacking energy: -17.419 Base-Backbone interact. energy: -0.209 local terms energy: -28.660708 where: bonds (distance) C4'-P energy: -6.301 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -4.552 flat angles P-C4'-P energy: -4.944 tors. eta vs tors. theta energy: -4.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -43.200763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.200763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.200763 (E_RNA) where: Base-Base interactions energy: -14.232 where: short stacking energy: -13.638 Base-Backbone interact. energy: -0.010 local terms energy: -28.959052 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -7.490 flat angles P-C4'-P energy: -3.366 tors. eta vs tors. theta energy: -3.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -40.446098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.446098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.446098 (E_RNA) where: Base-Base interactions energy: -17.256 where: short stacking energy: -13.497 Base-Backbone interact. energy: -0.101 local terms energy: -23.089513 where: bonds (distance) C4'-P energy: -4.499 bonds (distance) P-C4' energy: -4.169 flat angles C4'-P-C4' energy: -7.929 flat angles P-C4'-P energy: -3.726 tors. eta vs tors. theta energy: -2.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -35.837204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.837204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.837204 (E_RNA) where: Base-Base interactions energy: -10.243 where: short stacking energy: -9.794 Base-Backbone interact. energy: 1.836 local terms energy: -27.430199 where: bonds (distance) C4'-P energy: -7.989 bonds (distance) P-C4' energy: -3.952 flat angles C4'-P-C4' energy: -5.786 flat angles P-C4'-P energy: -7.621 tors. eta vs tors. theta energy: -2.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -70.320296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.320296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.320296 (E_RNA) where: Base-Base interactions energy: -31.916 where: short stacking energy: -31.916 Base-Backbone interact. energy: -0.002 local terms energy: -38.401676 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -8.617 flat angles P-C4'-P energy: -6.687 tors. eta vs tors. theta energy: -8.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -66.883963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.883963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.883963 (E_RNA) where: Base-Base interactions energy: -33.421 where: short stacking energy: -33.171 Base-Backbone interact. energy: -0.040 local terms energy: -33.423362 where: bonds (distance) C4'-P energy: -6.889 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -5.587 flat angles P-C4'-P energy: -5.946 tors. eta vs tors. theta energy: -7.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -60.750787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.750787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.750787 (E_RNA) where: Base-Base interactions energy: -29.369 where: short stacking energy: -19.334 Base-Backbone interact. energy: -0.005 local terms energy: -31.377474 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -8.416 flat angles P-C4'-P energy: -3.986 tors. eta vs tors. theta energy: -3.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -53.556310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.556310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.556310 (E_RNA) where: Base-Base interactions energy: -19.979 where: short stacking energy: -19.979 Base-Backbone interact. energy: -0.109 local terms energy: -33.467868 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -8.281 flat angles P-C4'-P energy: -5.080 tors. eta vs tors. theta energy: -4.088 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: 5, replica: 6 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -53.504441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.504441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.504441 (E_RNA) where: Base-Base interactions energy: -24.918 where: short stacking energy: -24.608 Base-Backbone interact. energy: -0.003 local terms energy: -28.582780 where: bonds (distance) C4'-P energy: -6.537 bonds (distance) P-C4' energy: -7.503 flat angles C4'-P-C4' energy: -7.264 flat angles P-C4'-P energy: -2.025 tors. eta vs tors. theta energy: -5.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -53.870743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.870743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.870743 (E_RNA) where: Base-Base interactions energy: -21.915 where: short stacking energy: -15.677 Base-Backbone interact. energy: 0.098 local terms energy: -32.054004 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -8.918 flat angles P-C4'-P energy: -4.200 tors. eta vs tors. theta energy: -2.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -50.128181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.128181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.128181 (E_RNA) where: Base-Base interactions energy: -22.353 where: short stacking energy: -13.751 Base-Backbone interact. energy: -0.267 local terms energy: -27.508236 where: bonds (distance) C4'-P energy: -7.989 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -6.111 flat angles P-C4'-P energy: -5.878 tors. eta vs tors. theta energy: -2.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -42.982293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.982293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.982293 (E_RNA) where: Base-Base interactions energy: -17.271 where: short stacking energy: -17.271 Base-Backbone interact. energy: -0.325 local terms energy: -25.385750 where: bonds (distance) C4'-P energy: -5.119 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -6.360 flat angles P-C4'-P energy: -2.571 tors. eta vs tors. theta energy: -3.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -47.608397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.608397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.608397 (E_RNA) where: Base-Base interactions energy: -14.793 where: short stacking energy: -10.531 Base-Backbone interact. energy: -0.015 local terms energy: -32.800744 where: bonds (distance) C4'-P energy: -9.020 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -7.526 flat angles P-C4'-P energy: -5.419 tors. eta vs tors. theta energy: -3.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -42.035519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.035519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.035519 (E_RNA) where: Base-Base interactions energy: -17.312 where: short stacking energy: -9.051 Base-Backbone interact. energy: -0.206 local terms energy: -24.517673 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -5.987 flat angles P-C4'-P energy: -4.642 tors. eta vs tors. theta energy: 2.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -61.106786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.106786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.106786 (E_RNA) where: Base-Base interactions energy: -24.812 where: short stacking energy: -24.812 Base-Backbone interact. energy: -0.039 local terms energy: -36.255516 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -8.621 flat angles P-C4'-P energy: -7.050 tors. eta vs tors. theta energy: -3.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -65.846950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.846950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.846950 (E_RNA) where: Base-Base interactions energy: -27.922 where: short stacking energy: -23.765 Base-Backbone interact. energy: -0.000 local terms energy: -37.925204 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.717 flat angles P-C4'-P energy: -5.335 tors. eta vs tors. theta energy: -7.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -73.398431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.398431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.398431 (E_RNA) where: Base-Base interactions energy: -37.277 where: short stacking energy: -23.171 Base-Backbone interact. energy: -0.061 local terms energy: -36.060607 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -8.221 flat angles P-C4'-P energy: -6.227 tors. eta vs tors. theta energy: -5.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -55.094791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.094791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.094791 (E_RNA) where: Base-Base interactions energy: -25.079 where: short stacking energy: -25.079 Base-Backbone interact. energy: -0.002 local terms energy: -30.014327 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -6.817 flat angles P-C4'-P energy: -4.378 tors. eta vs tors. theta energy: -5.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -53.618160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.618160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.618160 (E_RNA) where: Base-Base interactions energy: -21.445 where: short stacking energy: -21.445 Base-Backbone interact. energy: -0.017 local terms energy: -32.156032 where: bonds (distance) C4'-P energy: -7.696 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -7.626 flat angles P-C4'-P energy: -5.920 tors. eta vs tors. theta energy: -2.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -50.886678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.886678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.886678 (E_RNA) where: Base-Base interactions energy: -21.140 where: short stacking energy: -21.140 Base-Backbone interact. energy: -0.100 local terms energy: -29.646566 where: bonds (distance) C4'-P energy: -5.067 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -5.599 flat angles P-C4'-P energy: -3.870 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: 7, replica: 5 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -43.768036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.768036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.768036 (E_RNA) where: Base-Base interactions energy: -13.708 where: short stacking energy: -13.708 Base-Backbone interact. energy: -0.009 local terms energy: -30.051020 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -6.849 flat angles P-C4'-P energy: -5.661 tors. eta vs tors. theta energy: -1.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -49.788127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.788127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.788127 (E_RNA) where: Base-Base interactions energy: -17.652 where: short stacking energy: -15.188 Base-Backbone interact. energy: -0.004 local terms energy: -32.132417 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -5.458 flat angles P-C4'-P energy: -5.358 tors. eta vs tors. theta energy: -3.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -45.804205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.804205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.804205 (E_RNA) where: Base-Base interactions energy: -18.611 where: short stacking energy: -18.611 Base-Backbone interact. energy: -0.020 local terms energy: -27.172908 where: bonds (distance) C4'-P energy: -6.172 bonds (distance) P-C4' energy: -8.351 flat angles C4'-P-C4' energy: -6.934 flat angles P-C4'-P energy: -3.187 tors. eta vs tors. theta energy: -2.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -41.199481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.199481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.199481 (E_RNA) where: Base-Base interactions energy: -18.086 where: short stacking energy: -15.991 Base-Backbone interact. energy: -0.234 local terms energy: -22.879044 where: bonds (distance) C4'-P energy: -1.174 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -7.105 flat angles P-C4'-P energy: -4.972 tors. eta vs tors. theta energy: -1.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -67.648259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.648259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.648259 (E_RNA) where: Base-Base interactions energy: -28.321 where: short stacking energy: -28.321 Base-Backbone interact. energy: -0.001 local terms energy: -39.326448 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.980 flat angles P-C4'-P energy: -6.184 tors. eta vs tors. theta energy: -11.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -78.927460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.927460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.927460 (E_RNA) where: Base-Base interactions energy: -42.968 where: short stacking energy: -23.451 Base-Backbone interact. energy: -0.493 local terms energy: -35.466348 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.325 flat angles P-C4'-P energy: -5.887 tors. eta vs tors. theta energy: -4.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -79.538614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.538614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.538614 (E_RNA) where: Base-Base interactions energy: -38.765 where: short stacking energy: -33.860 Base-Backbone interact. energy: -2.650 local terms energy: -38.123976 where: bonds (distance) C4'-P energy: -7.082 bonds (distance) P-C4' energy: -8.361 flat angles C4'-P-C4' energy: -6.635 flat angles P-C4'-P energy: -5.867 tors. eta vs tors. theta energy: -10.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -52.465344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.465344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.465344 (E_RNA) where: Base-Base interactions energy: -23.056 where: short stacking energy: -23.056 Base-Backbone interact. energy: -0.072 local terms energy: -29.337455 where: bonds (distance) C4'-P energy: -5.228 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.732 flat angles P-C4'-P energy: -4.322 tors. eta vs tors. theta energy: -2.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -62.030397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.030397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.030397 (E_RNA) where: Base-Base interactions energy: -27.246 where: short stacking energy: -27.246 Base-Backbone interact. energy: -0.000 local terms energy: -34.783807 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -5.555 flat angles P-C4'-P energy: -6.481 tors. eta vs tors. theta energy: -5.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -46.769264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.769264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.769264 (E_RNA) where: Base-Base interactions energy: -17.640 where: short stacking energy: -17.640 Base-Backbone interact. energy: -0.032 local terms energy: -29.097526 where: bonds (distance) C4'-P energy: -4.657 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.686 flat angles P-C4'-P energy: -4.006 tors. eta vs tors. theta energy: -3.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -48.787480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.787480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.787480 (E_RNA) where: Base-Base interactions energy: -17.887 where: short stacking energy: -17.887 Base-Backbone interact. energy: -0.001 local terms energy: -30.900198 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -4.032 tors. eta vs tors. theta energy: -5.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -43.182469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.182469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.182469 (E_RNA) where: Base-Base interactions energy: -16.847 where: short stacking energy: -16.847 Base-Backbone interact. energy: -0.043 local terms energy: -26.292699 where: bonds (distance) C4'-P energy: -2.772 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -5.034 flat angles P-C4'-P energy: -3.193 tors. eta vs tors. theta energy: -6.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -43.292499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.292499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.292499 (E_RNA) where: Base-Base interactions energy: -13.893 where: short stacking energy: -13.893 Base-Backbone interact. energy: -0.000 local terms energy: -29.398819 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -7.912 flat angles P-C4'-P energy: -1.459 tors. eta vs tors. theta energy: -2.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -42.327063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.327063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.327063 (E_RNA) where: Base-Base interactions energy: -15.644 where: short stacking energy: -14.468 Base-Backbone interact. energy: -0.775 local terms energy: -25.908332 where: bonds (distance) C4'-P energy: -6.093 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -5.344 flat angles P-C4'-P energy: -5.073 tors. eta vs tors. theta energy: -3.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -85.809327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.809327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.809327 (E_RNA) where: Base-Base interactions energy: -50.040 where: short stacking energy: -30.090 Base-Backbone interact. energy: -0.000 local terms energy: -35.768898 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.581 flat angles P-C4'-P energy: -6.067 tors. eta vs tors. theta energy: -5.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -73.222589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.222589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.222589 (E_RNA) where: Base-Base interactions energy: -33.550 where: short stacking energy: -33.550 Base-Backbone interact. energy: -0.000 local terms energy: -39.672282 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.425 flat angles P-C4'-P energy: -4.931 tors. eta vs tors. theta energy: -10.729 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: 3, replica: 10 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -58.667085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.667085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.667085 (E_RNA) where: Base-Base interactions energy: -25.931 where: short stacking energy: -25.931 Base-Backbone interact. energy: -0.237 local terms energy: -32.499575 where: bonds (distance) C4'-P energy: -7.137 bonds (distance) P-C4' energy: -8.256 flat angles C4'-P-C4' energy: -5.630 flat angles P-C4'-P energy: -4.600 tors. eta vs tors. theta energy: -6.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -57.504857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.504857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.504857 (E_RNA) where: Base-Base interactions energy: -21.749 where: short stacking energy: -20.567 Base-Backbone interact. energy: 0.844 local terms energy: -36.599622 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -8.729 flat angles P-C4'-P energy: -6.091 tors. eta vs tors. theta energy: -6.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -56.543346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.543346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.543346 (E_RNA) where: Base-Base interactions energy: -26.280 where: short stacking energy: -24.153 Base-Backbone interact. energy: -0.599 local terms energy: -29.664356 where: bonds (distance) C4'-P energy: -6.185 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.488 flat angles P-C4'-P energy: -4.459 tors. eta vs tors. theta energy: -3.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -47.136620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.136620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.136620 (E_RNA) where: Base-Base interactions energy: -16.539 where: short stacking energy: -16.539 Base-Backbone interact. energy: -0.007 local terms energy: -30.590157 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -7.153 flat angles C4'-P-C4' energy: -5.962 flat angles P-C4'-P energy: -6.118 tors. eta vs tors. theta energy: -3.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -47.449472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.449472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.449472 (E_RNA) where: Base-Base interactions energy: -15.581 where: short stacking energy: -15.581 Base-Backbone interact. energy: -0.281 local terms energy: -31.587157 where: bonds (distance) C4'-P energy: -7.182 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -5.798 flat angles P-C4'-P energy: -5.068 tors. eta vs tors. theta energy: -4.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -42.963088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.963088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.963088 (E_RNA) where: Base-Base interactions energy: -12.804 where: short stacking energy: -12.804 Base-Backbone interact. energy: -0.063 local terms energy: -30.096137 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -6.535 flat angles C4'-P-C4' energy: -7.597 flat angles P-C4'-P energy: -3.886 tors. eta vs tors. theta energy: -4.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -41.354707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.354707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.354707 (E_RNA) where: Base-Base interactions energy: -16.883 where: short stacking energy: -12.708 Base-Backbone interact. energy: -0.669 local terms energy: -23.802781 where: bonds (distance) C4'-P energy: -6.205 bonds (distance) P-C4' energy: -6.759 flat angles C4'-P-C4' energy: -5.314 flat angles P-C4'-P energy: -3.342 tors. eta vs tors. theta energy: -2.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -44.911274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.911274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.911274 (E_RNA) where: Base-Base interactions energy: -19.460 where: short stacking energy: -19.460 Base-Backbone interact. energy: -0.006 local terms energy: -25.445154 where: bonds (distance) C4'-P energy: -4.090 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -5.120 flat angles P-C4'-P energy: -5.231 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: 2 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -82.000627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.000627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.000627 (E_RNA) where: Base-Base interactions energy: -45.130 where: short stacking energy: -25.916 Base-Backbone interact. energy: 0.364 local terms energy: -37.235264 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -8.371 flat angles P-C4'-P energy: -6.493 tors. eta vs tors. theta energy: -6.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -64.568110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.568110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.568110 (E_RNA) where: Base-Base interactions energy: -26.541 where: short stacking energy: -26.541 Base-Backbone interact. energy: -0.000 local terms energy: -38.027310 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.489 flat angles P-C4'-P energy: -4.877 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: 3, replica: 1 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -48.866407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.866407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.866407 (E_RNA) where: Base-Base interactions energy: -19.501 where: short stacking energy: -19.501 Base-Backbone interact. energy: -0.006 local terms energy: -29.359805 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -6.377 flat angles C4'-P-C4' energy: -8.166 flat angles P-C4'-P energy: -4.220 tors. eta vs tors. theta energy: -3.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -64.514233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.514233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.514233 (E_RNA) where: Base-Base interactions energy: -28.963 where: short stacking energy: -28.963 Base-Backbone interact. energy: -0.000 local terms energy: -35.550946 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -8.964 flat angles P-C4'-P energy: -5.383 tors. eta vs tors. theta energy: -6.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -55.009114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.009114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.009114 (E_RNA) where: Base-Base interactions energy: -21.748 where: short stacking energy: -17.997 Base-Backbone interact. energy: -0.000 local terms energy: -33.261431 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -6.523 flat angles P-C4'-P energy: -5.360 tors. eta vs tors. theta energy: -3.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -56.344298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.344298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.344298 (E_RNA) where: Base-Base interactions energy: -26.932 where: short stacking energy: -17.229 Base-Backbone interact. energy: -0.004 local terms energy: -29.408275 where: bonds (distance) C4'-P energy: -6.914 bonds (distance) P-C4' energy: -8.058 flat angles C4'-P-C4' energy: -7.461 flat angles P-C4'-P energy: -5.934 tors. eta vs tors. theta energy: -1.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -48.081086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.081086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.081086 (E_RNA) where: Base-Base interactions energy: -17.238 where: short stacking energy: -16.516 Base-Backbone interact. energy: -0.024 local terms energy: -30.819379 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -6.974 flat angles P-C4'-P energy: -3.854 tors. eta vs tors. theta energy: -3.466 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: 4 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -43.765811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.765811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.765811 (E_RNA) where: Base-Base interactions energy: -16.103 where: short stacking energy: -16.103 Base-Backbone interact. energy: -0.021 local terms energy: -27.641195 where: bonds (distance) C4'-P energy: -7.374 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -6.334 flat angles P-C4'-P energy: -4.381 tors. eta vs tors. theta energy: -1.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -52.670885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.670885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.670885 (E_RNA) where: Base-Base interactions energy: -30.702 where: short stacking energy: -13.920 Base-Backbone interact. energy: -0.094 local terms energy: -21.874952 where: bonds (distance) C4'-P energy: -5.517 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -6.387 flat angles P-C4'-P energy: -2.606 tors. eta vs tors. theta energy: -1.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -44.201327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.201327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.201327 (E_RNA) where: Base-Base interactions energy: -13.773 where: short stacking energy: -13.773 Base-Backbone interact. energy: -0.085 local terms energy: -30.343202 where: bonds (distance) C4'-P energy: -4.873 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.571 flat angles P-C4'-P energy: -4.190 tors. eta vs tors. theta energy: -4.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -82.672113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.672113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.672113 (E_RNA) where: Base-Base interactions energy: -47.115 where: short stacking energy: -21.076 Base-Backbone interact. energy: -0.007 local terms energy: -35.550223 where: bonds (distance) C4'-P energy: -7.278 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -7.819 flat angles P-C4'-P energy: -5.466 tors. eta vs tors. theta energy: -7.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -57.035158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.035158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.035158 (E_RNA) where: Base-Base interactions energy: -25.939 where: short stacking energy: -14.146 Base-Backbone interact. energy: -0.054 local terms energy: -31.042595 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -8.777 flat angles C4'-P-C4' energy: -8.986 flat angles P-C4'-P energy: -3.816 tors. eta vs tors. theta energy: -3.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -61.148654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.148654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.148654 (E_RNA) where: Base-Base interactions energy: -25.883 where: short stacking energy: -25.883 Base-Backbone interact. energy: -0.001 local terms energy: -35.265389 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -6.287 flat angles P-C4'-P energy: -6.959 tors. eta vs tors. theta energy: -6.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -58.292695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.292695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.292695 (E_RNA) where: Base-Base interactions energy: -20.660 where: short stacking energy: -11.589 Base-Backbone interact. energy: -0.017 local terms energy: -37.616413 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -8.336 flat angles C4'-P-C4' energy: -8.321 flat angles P-C4'-P energy: -6.674 tors. eta vs tors. theta energy: -5.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -56.196349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.196349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.196349 (E_RNA) where: Base-Base interactions energy: -26.138 where: short stacking energy: -26.138 Base-Backbone interact. energy: -0.000 local terms energy: -30.057970 where: bonds (distance) C4'-P energy: -6.469 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -6.315 flat angles P-C4'-P energy: -2.647 tors. eta vs tors. theta energy: -6.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -52.414897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.414897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.414897 (E_RNA) where: Base-Base interactions energy: -25.051 where: short stacking energy: -11.233 Base-Backbone interact. energy: -0.377 local terms energy: -26.986321 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.881 flat angles P-C4'-P energy: -1.518 tors. eta vs tors. theta energy: -1.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -47.987221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.987221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.987221 (E_RNA) where: Base-Base interactions energy: -13.981 where: short stacking energy: -13.981 Base-Backbone interact. energy: -0.001 local terms energy: -34.005769 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.445 flat angles P-C4'-P energy: -4.739 tors. eta vs tors. theta energy: -5.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -43.848787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.848787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.848787 (E_RNA) where: Base-Base interactions energy: -16.175 where: short stacking energy: -15.167 Base-Backbone interact. energy: -0.005 local terms energy: -27.668176 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -4.530 flat angles P-C4'-P energy: -5.525 tors. eta vs tors. theta energy: 0.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -42.655057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.655057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.655057 (E_RNA) where: Base-Base interactions energy: -14.477 where: short stacking energy: -14.477 Base-Backbone interact. energy: -0.014 local terms energy: -28.163636 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -7.796 flat angles C4'-P-C4' energy: -6.592 flat angles P-C4'-P energy: -4.709 tors. eta vs tors. theta energy: -2.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -42.284285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.284285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.284285 (E_RNA) where: Base-Base interactions energy: -14.040 where: short stacking energy: -8.499 Base-Backbone interact. energy: -0.002 local terms energy: -28.242227 where: bonds (distance) C4'-P energy: -6.885 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -8.367 flat angles P-C4'-P energy: -5.064 tors. eta vs tors. theta energy: -0.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -74.795369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.795369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.795369 (E_RNA) where: Base-Base interactions energy: -37.583 where: short stacking energy: -25.982 Base-Backbone interact. energy: -0.001 local terms energy: -37.211195 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -9.359 flat angles C4'-P-C4' energy: -7.296 flat angles P-C4'-P energy: -6.531 tors. eta vs tors. theta energy: -5.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -65.249361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.249361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.249361 (E_RNA) where: Base-Base interactions energy: -30.509 where: short stacking energy: -30.509 Base-Backbone interact. energy: -0.017 local terms energy: -34.723641 where: bonds (distance) C4'-P energy: -9.053 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -7.654 flat angles P-C4'-P energy: -5.905 tors. eta vs tors. theta energy: -4.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -59.775838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.775838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.775838 (E_RNA) where: Base-Base interactions energy: -26.278 where: short stacking energy: -26.278 Base-Backbone interact. energy: -0.016 local terms energy: -33.482174 where: bonds (distance) C4'-P energy: -8.167 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.148 flat angles P-C4'-P energy: -3.227 tors. eta vs tors. theta energy: -6.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -55.880833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.880833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.880833 (E_RNA) where: Base-Base interactions energy: -23.360 where: short stacking energy: -21.585 Base-Backbone interact. energy: -0.000 local terms energy: -32.520980 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -8.246 flat angles P-C4'-P energy: -4.544 tors. eta vs tors. theta energy: -4.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -50.354197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.354197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.354197 (E_RNA) where: Base-Base interactions energy: -24.030 where: short stacking energy: -14.730 Base-Backbone interact. energy: -0.136 local terms energy: -26.188700 where: bonds (distance) C4'-P energy: -7.447 bonds (distance) P-C4' energy: -7.245 flat angles C4'-P-C4' energy: -5.068 flat angles P-C4'-P energy: -4.776 tors. eta vs tors. theta energy: -1.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -58.171195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.171195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.171195 (E_RNA) where: Base-Base interactions energy: -21.457 where: short stacking energy: -21.351 Base-Backbone interact. energy: 0.024 local terms energy: -36.738071 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.987 flat angles P-C4'-P energy: -3.870 tors. eta vs tors. theta energy: -6.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -54.564439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.564439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.564439 (E_RNA) where: Base-Base interactions energy: -26.424 where: short stacking energy: -26.424 Base-Backbone interact. energy: -0.002 local terms energy: -28.138193 where: bonds (distance) C4'-P energy: -7.397 bonds (distance) P-C4' energy: -5.891 flat angles C4'-P-C4' energy: -8.728 flat angles P-C4'-P energy: -1.614 tors. eta vs tors. theta energy: -4.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -42.114576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.114576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.114576 (E_RNA) where: Base-Base interactions energy: -18.499 where: short stacking energy: -18.499 Base-Backbone interact. energy: -0.001 local terms energy: -23.614347 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.343 flat angles C4'-P-C4' energy: -7.746 flat angles P-C4'-P energy: -1.569 tors. eta vs tors. theta energy: -2.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -38.618636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.618636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.618636 (E_RNA) where: Base-Base interactions energy: -13.588 where: short stacking energy: -13.588 Base-Backbone interact. energy: -0.098 local terms energy: -24.932402 where: bonds (distance) C4'-P energy: -7.328 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -6.809 flat angles P-C4'-P energy: -3.767 tors. eta vs tors. theta energy: 0.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -40.420280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.420280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.420280 (E_RNA) where: Base-Base interactions energy: -18.918 where: short stacking energy: -15.397 Base-Backbone interact. energy: -0.532 local terms energy: -20.969566 where: bonds (distance) C4'-P energy: -6.582 bonds (distance) P-C4' energy: -4.793 flat angles C4'-P-C4' energy: -5.702 flat angles P-C4'-P energy: -2.084 tors. eta vs tors. theta energy: -1.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -68.307026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.307026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.307026 (E_RNA) where: Base-Base interactions energy: -39.645 where: short stacking energy: -21.153 Base-Backbone interact. energy: -0.044 local terms energy: -28.618252 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -8.075 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -5.059 tors. eta vs tors. theta energy: -3.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -64.473830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.473830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.473830 (E_RNA) where: Base-Base interactions energy: -31.414 where: short stacking energy: -28.134 Base-Backbone interact. energy: -0.289 local terms energy: -32.770794 where: bonds (distance) C4'-P energy: -7.144 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -6.247 flat angles P-C4'-P energy: -4.977 tors. eta vs tors. theta energy: -5.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -54.735636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.735636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.735636 (E_RNA) where: Base-Base interactions energy: -24.337 where: short stacking energy: -23.775 Base-Backbone interact. energy: -0.006 local terms energy: -30.392410 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -7.895 flat angles P-C4'-P energy: -3.197 tors. eta vs tors. theta energy: -5.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -50.928248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.928248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.928248 (E_RNA) where: Base-Base interactions energy: -25.339 where: short stacking energy: -23.422 Base-Backbone interact. energy: -0.061 local terms energy: -25.527938 where: bonds (distance) C4'-P energy: -3.291 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -2.479 flat angles P-C4'-P energy: -5.679 tors. eta vs tors. theta energy: -5.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -49.959782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.959782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.959782 (E_RNA) where: Base-Base interactions energy: -23.693 where: short stacking energy: -14.686 Base-Backbone interact. energy: -0.002 local terms energy: -26.265204 where: bonds (distance) C4'-P energy: -6.488 bonds (distance) P-C4' energy: -6.321 flat angles C4'-P-C4' energy: -6.944 flat angles P-C4'-P energy: -5.369 tors. eta vs tors. theta energy: -1.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -48.635332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.635332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.635332 (E_RNA) where: Base-Base interactions energy: -21.917 where: short stacking energy: -11.851 Base-Backbone interact. energy: -0.059 local terms energy: -26.658418 where: bonds (distance) C4'-P energy: -5.821 bonds (distance) P-C4' energy: -6.977 flat angles C4'-P-C4' energy: -6.717 flat angles P-C4'-P energy: -5.630 tors. eta vs tors. theta energy: -1.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -42.907431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.907431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.907431 (E_RNA) where: Base-Base interactions energy: -18.269 where: short stacking energy: -8.423 Base-Backbone interact. energy: -0.022 local terms energy: -24.616158 where: bonds (distance) C4'-P energy: -7.315 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -8.148 flat angles P-C4'-P energy: -3.927 tors. eta vs tors. theta energy: 2.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -54.695752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.695752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.695752 (E_RNA) where: Base-Base interactions energy: -22.171 where: short stacking energy: -22.171 Base-Backbone interact. energy: -0.029 local terms energy: -32.495970 where: bonds (distance) C4'-P energy: -8.200 bonds (distance) P-C4' energy: -5.475 flat angles C4'-P-C4' energy: -6.715 flat angles P-C4'-P energy: -5.077 tors. eta vs tors. theta energy: -7.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -42.036217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.036217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.036217 (E_RNA) where: Base-Base interactions energy: -15.320 where: short stacking energy: -15.320 Base-Backbone interact. energy: -0.016 local terms energy: -26.700106 where: bonds (distance) C4'-P energy: -4.698 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -8.241 flat angles P-C4'-P energy: -4.289 tors. eta vs tors. theta energy: -1.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -39.558974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.558974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.558974 (E_RNA) where: Base-Base interactions energy: -17.988 where: short stacking energy: -12.305 Base-Backbone interact. energy: -0.100 local terms energy: -21.470845 where: bonds (distance) C4'-P energy: -6.157 bonds (distance) P-C4' energy: -5.703 flat angles C4'-P-C4' energy: -6.859 flat angles P-C4'-P energy: -1.858 tors. eta vs tors. theta energy: -0.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -75.155335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.155335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.155335 (E_RNA) where: Base-Base interactions energy: -34.374 where: short stacking energy: -30.724 Base-Backbone interact. energy: -0.054 local terms energy: -40.727765 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.480 flat angles P-C4'-P energy: -6.716 tors. eta vs tors. theta energy: -7.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -64.239076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.239076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.239076 (E_RNA) where: Base-Base interactions energy: -28.773 where: short stacking energy: -28.773 Base-Backbone interact. energy: -0.000 local terms energy: -35.465709 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.837 flat angles C4'-P-C4' energy: -8.110 flat angles P-C4'-P energy: -1.036 tors. eta vs tors. theta energy: -9.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -52.896474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.896474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.896474 (E_RNA) where: Base-Base interactions energy: -22.971 where: short stacking energy: -22.749 Base-Backbone interact. energy: -0.001 local terms energy: -29.924135 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -6.379 flat angles C4'-P-C4' energy: -8.359 flat angles P-C4'-P energy: -4.574 tors. eta vs tors. theta energy: -3.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -53.896415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.896415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.896415 (E_RNA) where: Base-Base interactions energy: -22.880 where: short stacking energy: -16.885 Base-Backbone interact. energy: -0.011 local terms energy: -31.004768 where: bonds (distance) C4'-P energy: -7.546 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -6.648 flat angles P-C4'-P energy: -5.648 tors. eta vs tors. theta energy: -2.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -55.412897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.412897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.412897 (E_RNA) where: Base-Base interactions energy: -20.591 where: short stacking energy: -20.591 Base-Backbone interact. energy: -0.000 local terms energy: -34.821971 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -8.176 flat angles P-C4'-P energy: -5.712 tors. eta vs tors. theta energy: -6.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -50.869343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.869343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.869343 (E_RNA) where: Base-Base interactions energy: -18.052 where: short stacking energy: -18.052 Base-Backbone interact. energy: -0.016 local terms energy: -32.801461 where: bonds (distance) C4'-P energy: -7.907 bonds (distance) P-C4' energy: -6.272 flat angles C4'-P-C4' energy: -7.618 flat angles P-C4'-P energy: -5.607 tors. eta vs tors. theta energy: -5.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -46.103906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.103906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.103906 (E_RNA) where: Base-Base interactions energy: -17.795 where: short stacking energy: -17.159 Base-Backbone interact. energy: -0.035 local terms energy: -28.273879 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -5.778 flat angles C4'-P-C4' energy: -4.962 flat angles P-C4'-P energy: -3.615 tors. eta vs tors. theta energy: -6.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -38.712668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.712668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.712668 (E_RNA) where: Base-Base interactions energy: -12.081 where: short stacking energy: -12.081 Base-Backbone interact. energy: -0.103 local terms energy: -26.528552 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -7.766 flat angles C4'-P-C4' energy: -5.030 flat angles P-C4'-P energy: -2.639 tors. eta vs tors. theta energy: -3.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -49.820577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.820577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.820577 (E_RNA) where: Base-Base interactions energy: -27.925 where: short stacking energy: -11.644 Base-Backbone interact. energy: -0.136 local terms energy: -21.759660 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -1.811 flat angles P-C4'-P energy: -3.972 tors. eta vs tors. theta energy: 1.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -42.002590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.002590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.002590 (E_RNA) where: Base-Base interactions energy: -19.318 where: short stacking energy: -19.318 Base-Backbone interact. energy: -0.046 local terms energy: -22.638067 where: bonds (distance) C4'-P energy: -4.255 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -6.972 flat angles P-C4'-P energy: -1.090 tors. eta vs tors. theta energy: -2.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -63.509897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.509897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.509897 (E_RNA) where: Base-Base interactions energy: -24.071 where: short stacking energy: -23.479 Base-Backbone interact. energy: -0.009 local terms energy: -39.429188 where: bonds (distance) C4'-P energy: -6.914 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -9.503 flat angles P-C4'-P energy: -6.631 tors. eta vs tors. theta energy: -6.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -68.731039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.731039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.731039 (E_RNA) where: Base-Base interactions energy: -30.333 where: short stacking energy: -30.333 Base-Backbone interact. energy: -0.000 local terms energy: -38.397989 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -7.731 flat angles C4'-P-C4' energy: -7.035 flat angles P-C4'-P energy: -6.290 tors. eta vs tors. theta energy: -9.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -59.984693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.984693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.984693 (E_RNA) where: Base-Base interactions energy: -26.382 where: short stacking energy: -26.382 Base-Backbone interact. energy: -0.007 local terms energy: -33.595475 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.769 flat angles P-C4'-P energy: -3.590 tors. eta vs tors. theta energy: -5.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -60.949318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.949318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.949318 (E_RNA) where: Base-Base interactions energy: -27.994 where: short stacking energy: -27.258 Base-Backbone interact. energy: -0.098 local terms energy: -32.856944 where: bonds (distance) C4'-P energy: -5.946 bonds (distance) P-C4' energy: -7.200 flat angles C4'-P-C4' energy: -7.286 flat angles P-C4'-P energy: -5.122 tors. eta vs tors. theta energy: -7.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -52.922298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.922298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.922298 (E_RNA) where: Base-Base interactions energy: -23.616 where: short stacking energy: -23.616 Base-Backbone interact. energy: -0.000 local terms energy: -29.305993 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -5.918 flat angles P-C4'-P energy: -3.154 tors. eta vs tors. theta energy: -4.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -52.311918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.311918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.311918 (E_RNA) where: Base-Base interactions energy: -18.008 where: short stacking energy: -16.700 Base-Backbone interact. energy: -0.015 local terms energy: -34.289240 where: bonds (distance) C4'-P energy: -7.729 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.987 flat angles P-C4'-P energy: -5.433 tors. eta vs tors. theta energy: -5.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -51.683961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.683961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.683961 (E_RNA) where: Base-Base interactions energy: -24.268 where: short stacking energy: -18.432 Base-Backbone interact. energy: -0.107 local terms energy: -27.308519 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -7.512 flat angles C4'-P-C4' energy: -7.285 flat angles P-C4'-P energy: 0.704 tors. eta vs tors. theta energy: -6.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -44.787331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.787331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.787331 (E_RNA) where: Base-Base interactions energy: -21.894 where: short stacking energy: -15.115 Base-Backbone interact. energy: -0.093 local terms energy: -22.800189 where: bonds (distance) C4'-P energy: -4.292 bonds (distance) P-C4' energy: -6.290 flat angles C4'-P-C4' energy: -8.240 flat angles P-C4'-P energy: -0.269 tors. eta vs tors. theta energy: -3.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -41.637717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.637717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.637717 (E_RNA) where: Base-Base interactions energy: -18.449 where: short stacking energy: -18.449 Base-Backbone interact. energy: -0.234 local terms energy: -22.954530 where: bonds (distance) C4'-P energy: -6.201 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -4.292 flat angles P-C4'-P energy: -2.935 tors. eta vs tors. theta energy: -1.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -40.297926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.297926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.297926 (E_RNA) where: Base-Base interactions energy: -20.061 where: short stacking energy: -20.061 Base-Backbone interact. energy: -0.005 local terms energy: -20.231945 where: bonds (distance) C4'-P energy: -4.429 bonds (distance) P-C4' energy: -5.089 flat angles C4'-P-C4' energy: -4.182 flat angles P-C4'-P energy: -3.135 tors. eta vs tors. theta energy: -3.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -63.312411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.312411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.312411 (E_RNA) where: Base-Base interactions energy: -28.751 where: short stacking energy: -28.751 Base-Backbone interact. energy: -0.004 local terms energy: -34.557673 where: bonds (distance) C4'-P energy: -6.593 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -6.035 flat angles P-C4'-P energy: -7.359 tors. eta vs tors. theta energy: -6.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -58.369649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.369649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.369649 (E_RNA) where: Base-Base interactions energy: -21.104 where: short stacking energy: -21.104 Base-Backbone interact. energy: 0.093 local terms energy: -37.358086 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -7.935 flat angles P-C4'-P energy: -6.404 tors. eta vs tors. theta energy: -5.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -65.682001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.682001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.682001 (E_RNA) where: Base-Base interactions energy: -38.258 where: short stacking energy: -17.898 Base-Backbone interact. energy: -0.100 local terms energy: -27.323295 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -4.610 flat angles P-C4'-P energy: -3.778 tors. eta vs tors. theta energy: -4.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -59.665643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.665643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.665643 (E_RNA) where: Base-Base interactions energy: -23.877 where: short stacking energy: -23.877 Base-Backbone interact. energy: -0.000 local terms energy: -35.788145 where: bonds (distance) C4'-P energy: -4.434 bonds (distance) P-C4' energy: -9.546 flat angles C4'-P-C4' energy: -8.153 flat angles P-C4'-P energy: -6.844 tors. eta vs tors. theta energy: -6.811 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: 2 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -58.098381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.098381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.098381 (E_RNA) where: Base-Base interactions energy: -24.156 where: short stacking energy: -22.042 Base-Backbone interact. energy: -0.007 local terms energy: -33.934746 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -8.932 flat angles P-C4'-P energy: -5.740 tors. eta vs tors. theta energy: -4.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -49.828886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.828886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.828886 (E_RNA) where: Base-Base interactions energy: -22.872 where: short stacking energy: -16.111 Base-Backbone interact. energy: -0.465 local terms energy: -26.491639 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.265 flat angles P-C4'-P energy: -1.312 tors. eta vs tors. theta energy: -2.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -46.741023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.741023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.741023 (E_RNA) where: Base-Base interactions energy: -16.880 where: short stacking energy: -16.880 Base-Backbone interact. energy: -0.103 local terms energy: -29.757681 where: bonds (distance) C4'-P energy: -6.689 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -7.166 flat angles P-C4'-P energy: -6.048 tors. eta vs tors. theta energy: -4.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -46.186845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.186845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.186845 (E_RNA) where: Base-Base interactions energy: -16.893 where: short stacking energy: -15.804 Base-Backbone interact. energy: -0.114 local terms energy: -29.179462 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -5.671 flat angles P-C4'-P energy: -5.754 tors. eta vs tors. theta energy: -1.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -42.873269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.873269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.873269 (E_RNA) where: Base-Base interactions energy: -15.745 where: short stacking energy: -15.745 Base-Backbone interact. energy: -0.002 local terms energy: -27.126404 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -3.801 flat angles P-C4'-P energy: -4.558 tors. eta vs tors. theta energy: -4.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -44.117107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.117107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.117107 (E_RNA) where: Base-Base interactions energy: -20.222 where: short stacking energy: -16.108 Base-Backbone interact. energy: -0.091 local terms energy: -23.803736 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -1.509 flat angles P-C4'-P energy: -4.161 tors. eta vs tors. theta energy: -1.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -60.809327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.809327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.809327 (E_RNA) where: Base-Base interactions energy: -25.131 where: short stacking energy: -25.131 Base-Backbone interact. energy: -0.015 local terms energy: -35.663635 where: bonds (distance) C4'-P energy: -6.442 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -6.882 flat angles P-C4'-P energy: -6.196 tors. eta vs tors. theta energy: -8.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -64.036656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.036656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.036656 (E_RNA) where: Base-Base interactions energy: -29.356 where: short stacking energy: -26.210 Base-Backbone interact. energy: -0.003 local terms energy: -34.678314 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.235 flat angles P-C4'-P energy: -1.746 tors. eta vs tors. theta energy: -6.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -55.200759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.200759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.200759 (E_RNA) where: Base-Base interactions energy: -21.856 where: short stacking energy: -18.083 Base-Backbone interact. energy: -0.000 local terms energy: -33.344154 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -5.176 flat angles P-C4'-P energy: -6.880 tors. eta vs tors. theta energy: -3.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -59.907950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.907950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.907950 (E_RNA) where: Base-Base interactions energy: -25.456 where: short stacking energy: -20.581 Base-Backbone interact. energy: -0.786 local terms energy: -33.665639 where: bonds (distance) C4'-P energy: -6.089 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -7.631 flat angles P-C4'-P energy: -3.333 tors. eta vs tors. theta energy: -8.887 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: 2 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -53.769664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.769664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.769664 (E_RNA) where: Base-Base interactions energy: -24.133 where: short stacking energy: -23.118 Base-Backbone interact. energy: -0.100 local terms energy: -29.536194 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -4.766 flat angles P-C4'-P energy: -5.166 tors. eta vs tors. theta energy: -3.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -54.041764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.041764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.041764 (E_RNA) where: Base-Base interactions energy: -19.942 where: short stacking energy: -14.237 Base-Backbone interact. energy: 0.198 local terms energy: -34.297793 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -7.344 flat angles P-C4'-P energy: -5.288 tors. eta vs tors. theta energy: -5.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -66.089497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.089497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.089497 (E_RNA) where: Base-Base interactions energy: -36.420 where: short stacking energy: -23.018 Base-Backbone interact. energy: -0.000 local terms energy: -29.668962 where: bonds (distance) C4'-P energy: -6.372 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -5.741 flat angles P-C4'-P energy: -3.368 tors. eta vs tors. theta energy: -5.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -46.251440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.251440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.251440 (E_RNA) where: Base-Base interactions energy: -15.441 where: short stacking energy: -10.238 Base-Backbone interact. energy: 1.000 local terms energy: -31.810279 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -6.001 tors. eta vs tors. theta energy: -4.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -42.500295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.500295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.500295 (E_RNA) where: Base-Base interactions energy: -16.511 where: short stacking energy: -16.511 Base-Backbone interact. energy: -0.022 local terms energy: -25.967446 where: bonds (distance) C4'-P energy: -6.002 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -5.327 tors. eta vs tors. theta energy: -1.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -36.296530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.296530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.296530 (E_RNA) where: Base-Base interactions energy: -14.265 where: short stacking energy: -14.265 Base-Backbone interact. energy: -0.066 local terms energy: -21.964841 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -5.220 flat angles P-C4'-P energy: -1.077 tors. eta vs tors. theta energy: -0.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -63.471436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.471436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.471436 (E_RNA) where: Base-Base interactions energy: -28.407 where: short stacking energy: -28.073 Base-Backbone interact. energy: -0.000 local terms energy: -35.063919 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -7.632 flat angles P-C4'-P energy: -4.673 tors. eta vs tors. theta energy: -6.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -66.682852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.682852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.682852 (E_RNA) where: Base-Base interactions energy: -28.941 where: short stacking energy: -24.733 Base-Backbone interact. energy: -0.023 local terms energy: -37.718632 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.087 flat angles P-C4'-P energy: -5.450 tors. eta vs tors. theta energy: -6.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -66.298503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.298503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.298503 (E_RNA) where: Base-Base interactions energy: -28.311 where: short stacking energy: -27.893 Base-Backbone interact. energy: -0.001 local terms energy: -37.985839 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.298 flat angles P-C4'-P energy: -5.785 tors. eta vs tors. theta energy: -9.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -54.245792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.245792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.245792 (E_RNA) where: Base-Base interactions energy: -28.650 where: short stacking energy: -18.737 Base-Backbone interact. energy: -0.163 local terms energy: -25.433574 where: bonds (distance) C4'-P energy: -5.555 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -5.704 flat angles P-C4'-P energy: -4.667 tors. eta vs tors. theta energy: -1.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -53.796922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.796922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.796922 (E_RNA) where: Base-Base interactions energy: -20.627 where: short stacking energy: -20.627 Base-Backbone interact. energy: -0.000 local terms energy: -33.170106 where: bonds (distance) C4'-P energy: -6.355 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -4.529 flat angles P-C4'-P energy: -6.125 tors. eta vs tors. theta energy: -6.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -54.661469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.661469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.661469 (E_RNA) where: Base-Base interactions energy: -30.897 where: short stacking energy: -16.466 Base-Backbone interact. energy: -0.013 local terms energy: -23.751703 where: bonds (distance) C4'-P energy: -4.371 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -4.576 flat angles P-C4'-P energy: -4.579 tors. eta vs tors. theta energy: -2.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -45.024200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.024200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.024200 (E_RNA) where: Base-Base interactions energy: -19.879 where: short stacking energy: -17.499 Base-Backbone interact. energy: -1.124 local terms energy: -24.020314 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -6.840 flat angles P-C4'-P energy: -1.491 tors. eta vs tors. theta energy: -0.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -40.888604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.888604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.888604 (E_RNA) where: Base-Base interactions energy: -16.602 where: short stacking energy: -16.702 Base-Backbone interact. energy: 0.273 local terms energy: -24.559419 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -6.488 flat angles P-C4'-P energy: -2.261 tors. eta vs tors. theta energy: -1.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -45.003105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.003105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.003105 (E_RNA) where: Base-Base interactions energy: -12.320 where: short stacking energy: -12.320 Base-Backbone interact. energy: -0.000 local terms energy: -32.683401 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.246 flat angles P-C4'-P energy: -6.244 tors. eta vs tors. theta energy: -4.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -36.916061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.916061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.916061 (E_RNA) where: Base-Base interactions energy: -11.030 where: short stacking energy: -11.030 Base-Backbone interact. energy: -0.008 local terms energy: -25.877884 where: bonds (distance) C4'-P energy: -6.934 bonds (distance) P-C4' energy: -6.161 flat angles C4'-P-C4' energy: -5.437 flat angles P-C4'-P energy: -4.324 tors. eta vs tors. theta energy: -3.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -71.796145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.796145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.796145 (E_RNA) where: Base-Base interactions energy: -33.369 where: short stacking energy: -28.602 Base-Backbone interact. energy: -0.602 local terms energy: -37.825090 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -8.757 flat angles P-C4'-P energy: -6.265 tors. eta vs tors. theta energy: -7.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -68.001102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.001102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.001102 (E_RNA) where: Base-Base interactions energy: -36.478 where: short stacking energy: -19.883 Base-Backbone interact. energy: -0.009 local terms energy: -31.513423 where: bonds (distance) C4'-P energy: -6.690 bonds (distance) P-C4' energy: -6.841 flat angles C4'-P-C4' energy: -8.337 flat angles P-C4'-P energy: -5.620 tors. eta vs tors. theta energy: -4.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -64.202440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.202440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.202440 (E_RNA) where: Base-Base interactions energy: -34.590 where: short stacking energy: -22.596 Base-Backbone interact. energy: -0.100 local terms energy: -29.512515 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -7.270 flat angles C4'-P-C4' energy: -5.456 flat angles P-C4'-P energy: -5.570 tors. eta vs tors. theta energy: -5.911 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: 8 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -48.367941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.367941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.367941 (E_RNA) where: Base-Base interactions energy: -16.599 where: short stacking energy: -16.599 Base-Backbone interact. energy: -0.073 local terms energy: -31.696087 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -6.512 flat angles C4'-P-C4' energy: -6.486 flat angles P-C4'-P energy: -8.190 tors. eta vs tors. theta energy: -2.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -68.680483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.680483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.680483 (E_RNA) where: Base-Base interactions energy: -33.786 where: short stacking energy: -21.133 Base-Backbone interact. energy: -0.196 local terms energy: -34.698680 where: bonds (distance) C4'-P energy: -4.479 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.605 flat angles P-C4'-P energy: -6.729 tors. eta vs tors. theta energy: -7.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -53.599927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.599927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.599927 (E_RNA) where: Base-Base interactions energy: -19.942 where: short stacking energy: -19.942 Base-Backbone interact. energy: -0.008 local terms energy: -33.650333 where: bonds (distance) C4'-P energy: -8.006 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -3.853 flat angles P-C4'-P energy: -4.352 tors. eta vs tors. theta energy: -8.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -44.478041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.478041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.478041 (E_RNA) where: Base-Base interactions energy: -16.126 where: short stacking energy: -16.036 Base-Backbone interact. energy: -0.000 local terms energy: -28.351662 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -4.611 flat angles C4'-P-C4' energy: -7.975 flat angles P-C4'-P energy: -2.946 tors. eta vs tors. theta energy: -4.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -51.106020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.106020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.106020 (E_RNA) where: Base-Base interactions energy: -21.380 where: short stacking energy: -21.273 Base-Backbone interact. energy: -0.003 local terms energy: -29.723251 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.199 flat angles P-C4'-P energy: -0.974 tors. eta vs tors. theta energy: -4.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -43.782049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.782049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.782049 (E_RNA) where: Base-Base interactions energy: -17.891 where: short stacking energy: -17.187 Base-Backbone interact. energy: -0.141 local terms energy: -25.750480 where: bonds (distance) C4'-P energy: -7.045 bonds (distance) P-C4' energy: -6.619 flat angles C4'-P-C4' energy: -5.869 flat angles P-C4'-P energy: -4.290 tors. eta vs tors. theta energy: -1.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -49.417004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.417004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.417004 (E_RNA) where: Base-Base interactions energy: -24.295 where: short stacking energy: -22.326 Base-Backbone interact. energy: -0.311 local terms energy: -24.810767 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -1.099 flat angles P-C4'-P energy: -5.444 tors. eta vs tors. theta energy: -4.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -75.066059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.066059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.066059 (E_RNA) where: Base-Base interactions energy: -40.362 where: short stacking energy: -18.757 Base-Backbone interact. energy: -0.160 local terms energy: -34.544171 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -8.585 flat angles P-C4'-P energy: -6.939 tors. eta vs tors. theta energy: -4.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -62.826119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.826119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.826119 (E_RNA) where: Base-Base interactions energy: -27.011 where: short stacking energy: -27.011 Base-Backbone interact. energy: -0.000 local terms energy: -35.815545 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -7.343 flat angles C4'-P-C4' energy: -5.266 flat angles P-C4'-P energy: -7.762 tors. eta vs tors. theta energy: -8.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -60.351593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.351593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.351593 (E_RNA) where: Base-Base interactions energy: -33.359 where: short stacking energy: -18.670 Base-Backbone interact. energy: -0.002 local terms energy: -26.989971 where: bonds (distance) C4'-P energy: -3.611 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.873 flat angles P-C4'-P energy: -4.700 tors. eta vs tors. theta energy: -1.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -62.077831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.077831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.077831 (E_RNA) where: Base-Base interactions energy: -25.812 where: short stacking energy: -19.685 Base-Backbone interact. energy: -0.024 local terms energy: -36.241632 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -7.393 flat angles P-C4'-P energy: -4.905 tors. eta vs tors. theta energy: -8.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -59.816878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.816878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.816878 (E_RNA) where: Base-Base interactions energy: -29.052 where: short stacking energy: -25.725 Base-Backbone interact. energy: -0.000 local terms energy: -30.764817 where: bonds (distance) C4'-P energy: -5.240 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -6.366 flat angles P-C4'-P energy: -3.947 tors. eta vs tors. theta energy: -5.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -50.913652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.913652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.913652 (E_RNA) where: Base-Base interactions energy: -26.898 where: short stacking energy: -13.539 Base-Backbone interact. energy: -0.243 local terms energy: -23.772776 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -4.147 flat angles C4'-P-C4' energy: -8.000 flat angles P-C4'-P energy: -4.264 tors. eta vs tors. theta energy: 0.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -48.638554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.638554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.638554 (E_RNA) where: Base-Base interactions energy: -19.136 where: short stacking energy: -19.136 Base-Backbone interact. energy: -0.000 local terms energy: -29.502115 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -5.807 flat angles P-C4'-P energy: -4.102 tors. eta vs tors. theta energy: -5.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -51.344143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.344143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.344143 (E_RNA) where: Base-Base interactions energy: -16.667 where: short stacking energy: -15.265 Base-Backbone interact. energy: -0.018 local terms energy: -34.658844 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -5.903 flat angles P-C4'-P energy: -5.549 tors. eta vs tors. theta energy: -6.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -46.187008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.187008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.187008 (E_RNA) where: Base-Base interactions energy: -12.073 where: short stacking energy: -12.073 Base-Backbone interact. energy: -0.000 local terms energy: -34.113894 where: bonds (distance) C4'-P energy: -5.349 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -8.978 flat angles P-C4'-P energy: -4.662 tors. eta vs tors. theta energy: -7.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -40.129185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.129185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.129185 (E_RNA) where: Base-Base interactions energy: -9.339 where: short stacking energy: -9.339 Base-Backbone interact. energy: -0.000 local terms energy: -30.790107 where: bonds (distance) C4'-P energy: -4.587 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -9.316 flat angles P-C4'-P energy: -4.626 tors. eta vs tors. theta energy: -3.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -60.638787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.638787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.638787 (E_RNA) where: Base-Base interactions energy: -27.930 where: short stacking energy: -18.849 Base-Backbone interact. energy: -0.012 local terms energy: -32.697031 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -7.860 flat angles C4'-P-C4' energy: -6.111 flat angles P-C4'-P energy: -6.996 tors. eta vs tors. theta energy: -2.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -73.942246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.942246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.942246 (E_RNA) where: Base-Base interactions energy: -35.268 where: short stacking energy: -28.423 Base-Backbone interact. energy: -0.003 local terms energy: -38.671266 where: bonds (distance) C4'-P energy: -6.542 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -8.761 flat angles P-C4'-P energy: -5.934 tors. eta vs tors. theta energy: -8.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -66.902298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.902298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.902298 (E_RNA) where: Base-Base interactions energy: -26.648 where: short stacking energy: -26.648 Base-Backbone interact. energy: -0.000 local terms energy: -40.253798 where: bonds (distance) C4'-P energy: -8.474 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.582 flat angles P-C4'-P energy: -6.613 tors. eta vs tors. theta energy: -8.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -64.905905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.905905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.905905 (E_RNA) where: Base-Base interactions energy: -33.173 where: short stacking energy: -12.641 Base-Backbone interact. energy: -0.062 local terms energy: -31.670133 where: bonds (distance) C4'-P energy: -7.484 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -7.971 flat angles P-C4'-P energy: -4.834 tors. eta vs tors. theta energy: -2.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -60.193860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.193860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.193860 (E_RNA) where: Base-Base interactions energy: -29.067 where: short stacking energy: -16.846 Base-Backbone interact. energy: -0.001 local terms energy: -31.125293 where: bonds (distance) C4'-P energy: -8.946 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.551 flat angles P-C4'-P energy: -6.310 tors. eta vs tors. theta energy: -2.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -46.526646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.526646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.526646 (E_RNA) where: Base-Base interactions energy: -16.723 where: short stacking energy: -14.265 Base-Backbone interact. energy: -0.045 local terms energy: -29.758331 where: bonds (distance) C4'-P energy: -5.717 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.448 flat angles P-C4'-P energy: -3.361 tors. eta vs tors. theta energy: -4.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -41.099233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.099233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.099233 (E_RNA) where: Base-Base interactions energy: -13.463 where: short stacking energy: -13.345 Base-Backbone interact. energy: -0.077 local terms energy: -27.558767 where: bonds (distance) C4'-P energy: -6.318 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -4.598 flat angles P-C4'-P energy: -3.015 tors. eta vs tors. theta energy: -4.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -44.448950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.448950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.448950 (E_RNA) where: Base-Base interactions energy: -18.992 where: short stacking energy: -18.992 Base-Backbone interact. energy: -0.000 local terms energy: -25.456455 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -6.290 flat angles C4'-P-C4' energy: -6.576 flat angles P-C4'-P energy: -1.410 tors. eta vs tors. theta energy: -2.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -45.745904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.745904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.745904 (E_RNA) where: Base-Base interactions energy: -21.281 where: short stacking energy: -8.924 Base-Backbone interact. energy: -0.189 local terms energy: -24.275766 where: bonds (distance) C4'-P energy: -7.700 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -5.513 flat angles P-C4'-P energy: -3.800 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: 10, replica: 6 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -41.659962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.659962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.659962 (E_RNA) where: Base-Base interactions energy: -16.311 where: short stacking energy: -16.311 Base-Backbone interact. energy: -0.012 local terms energy: -25.336943 where: bonds (distance) C4'-P energy: -6.777 bonds (distance) P-C4' energy: -6.636 flat angles C4'-P-C4' energy: -4.898 flat angles P-C4'-P energy: -4.097 tors. eta vs tors. theta energy: -2.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -65.640948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.640948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.640948 (E_RNA) where: Base-Base interactions energy: -33.534 where: short stacking energy: -26.223 Base-Backbone interact. energy: -0.001 local terms energy: -32.106356 where: bonds (distance) C4'-P energy: -4.942 bonds (distance) P-C4' energy: -8.243 flat angles C4'-P-C4' energy: -7.877 flat angles P-C4'-P energy: -5.047 tors. eta vs tors. theta energy: -5.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -76.994815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.994815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.994815 (E_RNA) where: Base-Base interactions energy: -38.924 where: short stacking energy: -33.063 Base-Backbone interact. energy: -0.000 local terms energy: -38.070726 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -6.710 flat angles P-C4'-P energy: -5.366 tors. eta vs tors. theta energy: -9.097 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: 9 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -55.029664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.029664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.029664 (E_RNA) where: Base-Base interactions energy: -25.122 where: short stacking energy: -23.836 Base-Backbone interact. energy: -0.099 local terms energy: -29.809135 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -8.341 flat angles P-C4'-P energy: -0.141 tors. eta vs tors. theta energy: -5.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -49.854605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.854605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.854605 (E_RNA) where: Base-Base interactions energy: -22.345 where: short stacking energy: -21.801 Base-Backbone interact. energy: -0.912 local terms energy: -26.598007 where: bonds (distance) C4'-P energy: -4.517 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.641 flat angles P-C4'-P energy: -0.995 tors. eta vs tors. theta energy: -4.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -64.168914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.168914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.168914 (E_RNA) where: Base-Base interactions energy: -38.544 where: short stacking energy: -22.258 Base-Backbone interact. energy: -0.005 local terms energy: -25.620395 where: bonds (distance) C4'-P energy: -6.806 bonds (distance) P-C4' energy: -3.776 flat angles C4'-P-C4' energy: -6.193 flat angles P-C4'-P energy: -5.822 tors. eta vs tors. theta energy: -3.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -46.643880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.643880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.643880 (E_RNA) where: Base-Base interactions energy: -17.030 where: short stacking energy: -17.030 Base-Backbone interact. energy: -0.008 local terms energy: -29.605964 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.964 flat angles P-C4'-P energy: -1.714 tors. eta vs tors. theta energy: -3.500 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: 257 Temperature: 1.200000 Total energy: -46.562419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.562419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.562419 (E_RNA) where: Base-Base interactions energy: -16.347 where: short stacking energy: -16.347 Base-Backbone interact. energy: -0.069 local terms energy: -30.146661 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -8.030 flat angles P-C4'-P energy: -3.686 tors. eta vs tors. theta energy: -2.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -46.650554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.650554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.650554 (E_RNA) where: Base-Base interactions energy: -16.786 where: short stacking energy: -16.693 Base-Backbone interact. energy: -0.054 local terms energy: -29.810494 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.824 flat angles P-C4'-P energy: -3.207 tors. eta vs tors. theta energy: -4.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -39.200052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.200052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.200052 (E_RNA) where: Base-Base interactions energy: -15.911 where: short stacking energy: -15.911 Base-Backbone interact. energy: -0.000 local terms energy: -23.289052 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -8.504 flat angles C4'-P-C4' energy: -4.386 flat angles P-C4'-P energy: 0.443 tors. eta vs tors. theta energy: -4.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -42.277242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.277242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.277242 (E_RNA) where: Base-Base interactions energy: -12.474 where: short stacking energy: -12.474 Base-Backbone interact. energy: -0.046 local terms energy: -29.756697 where: bonds (distance) C4'-P energy: -5.274 bonds (distance) P-C4' energy: -9.302 flat angles C4'-P-C4' energy: -5.691 flat angles P-C4'-P energy: -5.952 tors. eta vs tors. theta energy: -3.537 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: 258 Temperature: 0.900000 Total energy: -80.514616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.514616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.514616 (E_RNA) where: Base-Base interactions energy: -42.745 where: short stacking energy: -30.004 Base-Backbone interact. energy: 0.073 local terms energy: -37.842865 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.077 flat angles P-C4'-P energy: -6.055 tors. eta vs tors. theta energy: -7.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -67.024125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.024125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.024125 (E_RNA) where: Base-Base interactions energy: -31.591 where: short stacking energy: -27.394 Base-Backbone interact. energy: -0.001 local terms energy: -35.431739 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -7.499 flat angles P-C4'-P energy: -6.203 tors. eta vs tors. theta energy: -6.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -65.413571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.413571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.413571 (E_RNA) where: Base-Base interactions energy: -27.959 where: short stacking energy: -27.959 Base-Backbone interact. energy: -0.001 local terms energy: -37.453139 where: bonds (distance) C4'-P energy: -7.915 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.667 flat angles P-C4'-P energy: -4.436 tors. eta vs tors. theta energy: -8.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -47.943443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.943443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.943443 (E_RNA) where: Base-Base interactions energy: -17.736 where: short stacking energy: -17.736 Base-Backbone interact. energy: 0.428 local terms energy: -30.635419 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -5.974 flat angles P-C4'-P energy: -4.778 tors. eta vs tors. theta energy: -2.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -59.171560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.171560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.171560 (E_RNA) where: Base-Base interactions energy: -30.746 where: short stacking energy: -23.422 Base-Backbone interact. energy: -0.000 local terms energy: -28.424977 where: bonds (distance) C4'-P energy: -7.369 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -6.744 flat angles P-C4'-P energy: -2.424 tors. eta vs tors. theta energy: -4.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -53.370633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.370633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.370633 (E_RNA) where: Base-Base interactions energy: -18.059 where: short stacking energy: -18.059 Base-Backbone interact. energy: -0.000 local terms energy: -35.311866 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -7.102 flat angles P-C4'-P energy: -5.599 tors. eta vs tors. theta energy: -6.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -48.744785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.744785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.744785 (E_RNA) where: Base-Base interactions energy: -21.766 where: short stacking energy: -21.766 Base-Backbone interact. energy: -0.073 local terms energy: -26.906242 where: bonds (distance) C4'-P energy: -4.064 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -8.402 flat angles P-C4'-P energy: -5.499 tors. eta vs tors. theta energy: -2.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -48.139562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.139562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.139562 (E_RNA) where: Base-Base interactions energy: -26.809 where: short stacking energy: -5.430 Base-Backbone interact. energy: -0.456 local terms energy: -20.874420 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -4.711 flat angles P-C4'-P energy: -4.969 tors. eta vs tors. theta energy: 3.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -50.421702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.421702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.421702 (E_RNA) where: Base-Base interactions energy: -15.092 where: short stacking energy: -15.092 Base-Backbone interact. energy: -0.107 local terms energy: -35.222706 where: bonds (distance) C4'-P energy: -8.631 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -7.684 flat angles P-C4'-P energy: -7.202 tors. eta vs tors. theta energy: -3.514 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: 258 Temperature: 1.350000 Total energy: -42.697700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.697700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.697700 (E_RNA) where: Base-Base interactions energy: -13.341 where: short stacking energy: -13.341 Base-Backbone interact. energy: -0.003 local terms energy: -29.353154 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -8.451 flat angles C4'-P-C4' energy: -6.274 flat angles P-C4'-P energy: -5.188 tors. eta vs tors. theta energy: -1.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -82.029110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.029110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.029110 (E_RNA) where: Base-Base interactions energy: -47.566 where: short stacking energy: -21.891 Base-Backbone interact. energy: -0.005 local terms energy: -34.458021 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -7.646 flat angles C4'-P-C4' energy: -7.453 flat angles P-C4'-P energy: -6.452 tors. eta vs tors. theta energy: -3.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -60.442077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.442077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.442077 (E_RNA) where: Base-Base interactions energy: -22.914 where: short stacking energy: -22.914 Base-Backbone interact. energy: -0.183 local terms energy: -37.345425 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -9.192 flat angles P-C4'-P energy: -6.656 tors. eta vs tors. theta energy: -5.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -59.484755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.484755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.484755 (E_RNA) where: Base-Base interactions energy: -30.279 where: short stacking energy: -18.441 Base-Backbone interact. energy: -0.090 local terms energy: -29.116143 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -5.457 flat angles C4'-P-C4' energy: -6.519 flat angles P-C4'-P energy: -4.568 tors. eta vs tors. theta energy: -4.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -66.111713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.111713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.111713 (E_RNA) where: Base-Base interactions energy: -31.142 where: short stacking energy: -31.142 Base-Backbone interact. energy: -0.000 local terms energy: -34.969742 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -8.020 flat angles P-C4'-P energy: -6.197 tors. eta vs tors. theta energy: -7.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -46.324366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.324366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.324366 (E_RNA) where: Base-Base interactions energy: -18.793 where: short stacking energy: -18.793 Base-Backbone interact. energy: -0.014 local terms energy: -27.517068 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.302 flat angles P-C4'-P energy: -5.063 tors. eta vs tors. theta energy: 0.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -62.483703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.483703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.483703 (E_RNA) where: Base-Base interactions energy: -24.780 where: short stacking energy: -24.780 Base-Backbone interact. energy: -0.042 local terms energy: -37.661754 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -8.090 flat angles P-C4'-P energy: -5.948 tors. eta vs tors. theta energy: -7.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -50.052080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.052080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.052080 (E_RNA) where: Base-Base interactions energy: -13.298 where: short stacking energy: -13.298 Base-Backbone interact. energy: -0.081 local terms energy: -36.673251 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -7.840 flat angles C4'-P-C4' energy: -7.788 flat angles P-C4'-P energy: -6.726 tors. eta vs tors. theta energy: -6.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -43.121704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.121704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.121704 (E_RNA) where: Base-Base interactions energy: -19.071 where: short stacking energy: -18.458 Base-Backbone interact. energy: -0.154 local terms energy: -23.896854 where: bonds (distance) C4'-P energy: -6.710 bonds (distance) P-C4' energy: -6.780 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -3.427 tors. eta vs tors. theta energy: -1.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -43.522030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.522030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.522030 (E_RNA) where: Base-Base interactions energy: -21.682 where: short stacking energy: -17.510 Base-Backbone interact. energy: -0.103 local terms energy: -21.737537 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -5.793 flat angles C4'-P-C4' energy: -6.123 flat angles P-C4'-P energy: -0.087 tors. eta vs tors. theta energy: -1.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -38.966243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.966243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.966243 (E_RNA) where: Base-Base interactions energy: -11.017 where: short stacking energy: -11.017 Base-Backbone interact. energy: -0.012 local terms energy: -27.937308 where: bonds (distance) C4'-P energy: -6.317 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -9.040 flat angles P-C4'-P energy: -2.759 tors. eta vs tors. theta energy: -0.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -81.939220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.939220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.939220 (E_RNA) where: Base-Base interactions energy: -48.390 where: short stacking energy: -27.599 Base-Backbone interact. energy: 0.425 local terms energy: -33.974206 where: bonds (distance) C4'-P energy: -7.812 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.772 flat angles P-C4'-P energy: -4.345 tors. eta vs tors. theta energy: -5.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -55.792434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.792434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.792434 (E_RNA) where: Base-Base interactions energy: -23.111 where: short stacking energy: -17.430 Base-Backbone interact. energy: 0.806 local terms energy: -33.487767 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -6.655 flat angles P-C4'-P energy: -6.063 tors. eta vs tors. theta energy: -3.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -59.185189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.185189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.185189 (E_RNA) where: Base-Base interactions energy: -19.606 where: short stacking energy: -19.606 Base-Backbone interact. energy: -0.000 local terms energy: -39.579381 where: bonds (distance) C4'-P energy: -8.002 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -7.871 flat angles P-C4'-P energy: -7.003 tors. eta vs tors. theta energy: -8.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -57.713323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.713323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.713323 (E_RNA) where: Base-Base interactions energy: -21.459 where: short stacking energy: -21.459 Base-Backbone interact. energy: -0.131 local terms energy: -36.123669 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -8.676 flat angles P-C4'-P energy: -6.230 tors. eta vs tors. theta energy: -4.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -54.452972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.452972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.452972 (E_RNA) where: Base-Base interactions energy: -26.087 where: short stacking energy: -22.367 Base-Backbone interact. energy: -0.001 local terms energy: -28.365013 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -8.302 flat angles P-C4'-P energy: -5.207 tors. eta vs tors. theta energy: -4.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -49.005316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.005316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.005316 (E_RNA) where: Base-Base interactions energy: -15.877 where: short stacking energy: -15.654 Base-Backbone interact. energy: -0.021 local terms energy: -33.107664 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -6.492 flat angles P-C4'-P energy: -5.803 tors. eta vs tors. theta energy: -4.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -49.503344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.503344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.503344 (E_RNA) where: Base-Base interactions energy: -20.001 where: short stacking energy: -20.001 Base-Backbone interact. energy: -0.000 local terms energy: -29.501708 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -5.168 flat angles P-C4'-P energy: -1.438 tors. eta vs tors. theta energy: -6.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -39.818925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.818925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.818925 (E_RNA) where: Base-Base interactions energy: -9.853 where: short stacking energy: -9.853 Base-Backbone interact. energy: -0.102 local terms energy: -29.864450 where: bonds (distance) C4'-P energy: -6.809 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -8.118 flat angles P-C4'-P energy: -4.993 tors. eta vs tors. theta energy: -1.804 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: 9, replica: 1 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -40.570225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.570225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.570225 (E_RNA) where: Base-Base interactions energy: -12.776 where: short stacking energy: -12.504 Base-Backbone interact. energy: -0.085 local terms energy: -27.709301 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -5.376 flat angles P-C4'-P energy: -6.174 tors. eta vs tors. theta energy: -2.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -40.355026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.355026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.355026 (E_RNA) where: Base-Base interactions energy: -12.348 where: short stacking energy: -11.265 Base-Backbone interact. energy: -0.163 local terms energy: -27.843531 where: bonds (distance) C4'-P energy: -7.037 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -7.232 flat angles P-C4'-P energy: -3.059 tors. eta vs tors. theta energy: -2.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -81.578980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.578980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.578980 (E_RNA) where: Base-Base interactions energy: -42.379 where: short stacking energy: -26.006 Base-Backbone interact. energy: -0.460 local terms energy: -38.739383 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -7.725 flat angles P-C4'-P energy: -5.537 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: 2, replica: 3 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -60.731628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.731628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.731628 (E_RNA) where: Base-Base interactions energy: -26.416 where: short stacking energy: -26.416 Base-Backbone interact. energy: -0.000 local terms energy: -34.315418 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -7.998 flat angles C4'-P-C4' energy: -6.242 flat angles P-C4'-P energy: -3.438 tors. eta vs tors. theta energy: -9.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -73.682055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.682055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.682055 (E_RNA) where: Base-Base interactions energy: -40.904 where: short stacking energy: -25.249 Base-Backbone interact. energy: -0.043 local terms energy: -32.735541 where: bonds (distance) C4'-P energy: -6.477 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -8.383 flat angles P-C4'-P energy: -6.367 tors. eta vs tors. theta energy: -5.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -59.251063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.251063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.251063 (E_RNA) where: Base-Base interactions energy: -26.317 where: short stacking energy: -26.317 Base-Backbone interact. energy: -0.000 local terms energy: -32.933779 where: bonds (distance) C4'-P energy: -7.216 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -7.926 flat angles P-C4'-P energy: -4.037 tors. eta vs tors. theta energy: -6.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -47.690483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.690483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.690483 (E_RNA) where: Base-Base interactions energy: -21.840 where: short stacking energy: -8.070 Base-Backbone interact. energy: -0.054 local terms energy: -25.796868 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -4.981 flat angles C4'-P-C4' energy: -7.169 flat angles P-C4'-P energy: -3.994 tors. eta vs tors. theta energy: -2.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -46.707384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.707384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.707384 (E_RNA) where: Base-Base interactions energy: -20.500 where: short stacking energy: -17.239 Base-Backbone interact. energy: -0.017 local terms energy: -26.190931 where: bonds (distance) C4'-P energy: -5.779 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -5.530 flat angles P-C4'-P energy: -4.145 tors. eta vs tors. theta energy: -1.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -39.932314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.932314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.932314 (E_RNA) where: Base-Base interactions energy: -13.593 where: short stacking energy: -11.569 Base-Backbone interact. energy: -0.166 local terms energy: -26.172892 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -7.377 flat angles P-C4'-P energy: -5.641 tors. eta vs tors. theta energy: -1.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -48.456725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.456725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.456725 (E_RNA) where: Base-Base interactions energy: -20.059 where: short stacking energy: -14.835 Base-Backbone interact. energy: -0.004 local terms energy: -28.394032 where: bonds (distance) C4'-P energy: -4.069 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -8.159 flat angles P-C4'-P energy: -3.172 tors. eta vs tors. theta energy: -4.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -40.317053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.317053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.317053 (E_RNA) where: Base-Base interactions energy: -15.027 where: short stacking energy: -14.923 Base-Backbone interact. energy: -0.008 local terms energy: -25.282592 where: bonds (distance) C4'-P energy: -5.701 bonds (distance) P-C4' energy: -7.037 flat angles C4'-P-C4' energy: -5.926 flat angles P-C4'-P energy: -4.436 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: 10, replica: 8 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -45.112331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.112331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.112331 (E_RNA) where: Base-Base interactions energy: -14.162 where: short stacking energy: -14.162 Base-Backbone interact. energy: -0.003 local terms energy: -30.946632 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -7.108 flat angles P-C4'-P energy: -4.967 tors. eta vs tors. theta energy: -3.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -74.191986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.191986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.191986 (E_RNA) where: Base-Base interactions energy: -31.658 where: short stacking energy: -31.658 Base-Backbone interact. energy: -0.000 local terms energy: -42.534100 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.715 flat angles P-C4'-P energy: -7.143 tors. eta vs tors. theta energy: -9.603 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: 5 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -73.084086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.084086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.084086 (E_RNA) where: Base-Base interactions energy: -41.598 where: short stacking energy: -30.379 Base-Backbone interact. energy: -0.000 local terms energy: -31.485594 where: bonds (distance) C4'-P energy: -7.455 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -4.111 flat angles P-C4'-P energy: -4.816 tors. eta vs tors. theta energy: -7.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -67.804708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.804708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.804708 (E_RNA) where: Base-Base interactions energy: -42.526 where: short stacking energy: -17.239 Base-Backbone interact. energy: 0.058 local terms energy: -25.336212 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -3.266 flat angles P-C4'-P energy: -5.645 tors. eta vs tors. theta energy: -2.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -69.990821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.990821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.990821 (E_RNA) where: Base-Base interactions energy: -37.258 where: short stacking energy: -21.852 Base-Backbone interact. energy: -0.620 local terms energy: -32.112789 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -5.096 flat angles P-C4'-P energy: -5.326 tors. eta vs tors. theta energy: -6.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -65.442261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.442261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.442261 (E_RNA) where: Base-Base interactions energy: -28.359 where: short stacking energy: -28.359 Base-Backbone interact. energy: -0.000 local terms energy: -37.083258 where: bonds (distance) C4'-P energy: -7.124 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.099 flat angles P-C4'-P energy: -6.320 tors. eta vs tors. theta energy: -8.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -50.026068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.026068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.026068 (E_RNA) where: Base-Base interactions energy: -23.588 where: short stacking energy: -16.181 Base-Backbone interact. energy: -0.014 local terms energy: -26.424466 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -4.721 flat angles P-C4'-P energy: -5.277 tors. eta vs tors. theta energy: -1.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -42.468508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.468508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.468508 (E_RNA) where: Base-Base interactions energy: -15.691 where: short stacking energy: -15.691 Base-Backbone interact. energy: -0.062 local terms energy: -26.716029 where: bonds (distance) C4'-P energy: -7.463 bonds (distance) P-C4' energy: -7.005 flat angles C4'-P-C4' energy: -3.259 flat angles P-C4'-P energy: -3.716 tors. eta vs tors. theta energy: -5.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -50.228087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.228087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.228087 (E_RNA) where: Base-Base interactions energy: -17.103 where: short stacking energy: -17.103 Base-Backbone interact. energy: -0.002 local terms energy: -33.123161 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -5.910 flat angles C4'-P-C4' energy: -6.751 flat angles P-C4'-P energy: -6.633 tors. eta vs tors. theta energy: -5.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -51.140811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.140811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.140811 (E_RNA) where: Base-Base interactions energy: -19.588 where: short stacking energy: -19.588 Base-Backbone interact. energy: -0.003 local terms energy: -31.550184 where: bonds (distance) C4'-P energy: -6.790 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -6.635 flat angles P-C4'-P energy: -4.819 tors. eta vs tors. theta energy: -7.129 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: 10, replica: 2 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -45.262053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.262053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.262053 (E_RNA) where: Base-Base interactions energy: -18.967 where: short stacking energy: -18.967 Base-Backbone interact. energy: -0.000 local terms energy: -26.295018 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -6.582 flat angles C4'-P-C4' energy: -6.242 flat angles P-C4'-P energy: -4.928 tors. eta vs tors. theta energy: -1.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -73.791671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.791671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.791671 (E_RNA) where: Base-Base interactions energy: -34.473 where: short stacking energy: -30.518 Base-Backbone interact. energy: -0.000 local terms energy: -39.318545 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -7.254 flat angles P-C4'-P energy: -6.006 tors. eta vs tors. theta energy: -10.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -74.980983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.980983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.980983 (E_RNA) where: Base-Base interactions energy: -44.083 where: short stacking energy: -31.998 Base-Backbone interact. energy: -0.029 local terms energy: -30.868628 where: bonds (distance) C4'-P energy: -7.038 bonds (distance) P-C4' energy: -7.008 flat angles C4'-P-C4' energy: -6.146 flat angles P-C4'-P energy: -6.390 tors. eta vs tors. theta energy: -4.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -56.469713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.469713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.469713 (E_RNA) where: Base-Base interactions energy: -28.219 where: short stacking energy: -18.570 Base-Backbone interact. energy: -0.005 local terms energy: -28.245479 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -5.958 flat angles P-C4'-P energy: -4.048 tors. eta vs tors. theta energy: -3.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -64.342636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.342636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.342636 (E_RNA) where: Base-Base interactions energy: -32.472 where: short stacking energy: -21.602 Base-Backbone interact. energy: -0.022 local terms energy: -31.848168 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -4.991 flat angles P-C4'-P energy: -5.152 tors. eta vs tors. theta energy: -4.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -56.650643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.650643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.650643 (E_RNA) where: Base-Base interactions energy: -19.925 where: short stacking energy: -19.925 Base-Backbone interact. energy: -0.000 local terms energy: -36.725223 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -7.546 flat angles P-C4'-P energy: -4.491 tors. eta vs tors. theta energy: -8.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -51.694052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.694052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.694052 (E_RNA) where: Base-Base interactions energy: -20.550 where: short stacking energy: -19.091 Base-Backbone interact. energy: -0.004 local terms energy: -31.140586 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -6.006 flat angles P-C4'-P energy: -1.984 tors. eta vs tors. theta energy: -6.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -49.939997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.939997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.939997 (E_RNA) where: Base-Base interactions energy: -19.596 where: short stacking energy: -19.596 Base-Backbone interact. energy: -0.133 local terms energy: -30.210626 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -6.830 flat angles C4'-P-C4' energy: -8.822 flat angles P-C4'-P energy: -5.588 tors. eta vs tors. theta energy: -2.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -48.091974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.091974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.091974 (E_RNA) where: Base-Base interactions energy: -12.906 where: short stacking energy: -11.622 Base-Backbone interact. energy: -0.013 local terms energy: -35.172754 where: bonds (distance) C4'-P energy: -7.385 bonds (distance) P-C4' energy: -5.239 flat angles C4'-P-C4' energy: -8.248 flat angles P-C4'-P energy: -5.286 tors. eta vs tors. theta energy: -9.015 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: 263 Temperature: 1.300000 Total energy: -38.482226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.482226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.482226 (E_RNA) where: Base-Base interactions energy: -14.510 where: short stacking energy: -14.510 Base-Backbone interact. energy: -0.002 local terms energy: -23.969784 where: bonds (distance) C4'-P energy: -6.256 bonds (distance) P-C4' energy: -3.706 flat angles C4'-P-C4' energy: -5.812 flat angles P-C4'-P energy: -1.614 tors. eta vs tors. theta energy: -6.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -40.952651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.952651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.952651 (E_RNA) where: Base-Base interactions energy: -11.637 where: short stacking energy: -11.637 Base-Backbone interact. energy: 0.176 local terms energy: -29.491971 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -7.379 flat angles P-C4'-P energy: -5.502 tors. eta vs tors. theta energy: -1.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -66.249208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.249208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.249208 (E_RNA) where: Base-Base interactions energy: -29.209 where: short stacking energy: -24.938 Base-Backbone interact. energy: -0.057 local terms energy: -36.983412 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -7.971 flat angles P-C4'-P energy: -5.455 tors. eta vs tors. theta energy: -7.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -61.714858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.714858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.714858 (E_RNA) where: Base-Base interactions energy: -26.471 where: short stacking energy: -26.471 Base-Backbone interact. energy: -0.000 local terms energy: -35.243336 where: bonds (distance) C4'-P energy: -7.278 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -5.721 flat angles P-C4'-P energy: -4.205 tors. eta vs tors. theta energy: -9.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -60.140059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.140059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.140059 (E_RNA) where: Base-Base interactions energy: -24.628 where: short stacking energy: -24.628 Base-Backbone interact. energy: -0.094 local terms energy: -35.417966 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -6.738 flat angles C4'-P-C4' energy: -7.788 flat angles P-C4'-P energy: -7.025 tors. eta vs tors. theta energy: -5.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -63.603446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.603446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.603446 (E_RNA) where: Base-Base interactions energy: -26.092 where: short stacking energy: -25.848 Base-Backbone interact. energy: -0.000 local terms energy: -37.511242 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.354 flat angles P-C4'-P energy: -4.656 tors. eta vs tors. theta energy: -7.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -56.199891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.199891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.199891 (E_RNA) where: Base-Base interactions energy: -19.790 where: short stacking energy: -19.790 Base-Backbone interact. energy: -0.001 local terms energy: -36.408533 where: bonds (distance) C4'-P energy: -5.663 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.582 flat angles P-C4'-P energy: -6.121 tors. eta vs tors. theta energy: -7.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -46.475996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.475996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.475996 (E_RNA) where: Base-Base interactions energy: -15.112 where: short stacking energy: -12.094 Base-Backbone interact. energy: -0.102 local terms energy: -31.261999 where: bonds (distance) C4'-P energy: -5.937 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -6.529 flat angles P-C4'-P energy: -5.083 tors. eta vs tors. theta energy: -5.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -52.894155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.894155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.894155 (E_RNA) where: Base-Base interactions energy: -23.028 where: short stacking energy: -23.028 Base-Backbone interact. energy: -0.008 local terms energy: -29.858019 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -8.119 flat angles C4'-P-C4' energy: -8.264 flat angles P-C4'-P energy: -1.904 tors. eta vs tors. theta energy: -3.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -42.394606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.394606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.394606 (E_RNA) where: Base-Base interactions energy: -14.430 where: short stacking energy: -10.944 Base-Backbone interact. energy: -0.090 local terms energy: -27.875026 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -2.962 flat angles C4'-P-C4' energy: -5.745 flat angles P-C4'-P energy: -6.010 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: 264 Temperature: 1.300000 Total energy: -42.831948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.831948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.831948 (E_RNA) where: Base-Base interactions energy: -19.275 where: short stacking energy: -18.655 Base-Backbone interact. energy: 0.780 local terms energy: -24.337255 where: bonds (distance) C4'-P energy: -3.730 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -6.878 flat angles P-C4'-P energy: -5.676 tors. eta vs tors. theta energy: 1.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -40.552803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.552803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.552803 (E_RNA) where: Base-Base interactions energy: -13.574 where: short stacking energy: -13.574 Base-Backbone interact. energy: -0.037 local terms energy: -26.942245 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -3.648 flat angles P-C4'-P energy: -4.648 tors. eta vs tors. theta energy: -6.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -69.183784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.183784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.183784 (E_RNA) where: Base-Base interactions energy: -34.946 where: short stacking energy: -21.330 Base-Backbone interact. energy: 0.686 local terms energy: -34.923850 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -8.508 flat angles P-C4'-P energy: -5.698 tors. eta vs tors. theta energy: -3.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -52.448652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.448652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.448652 (E_RNA) where: Base-Base interactions energy: -20.090 where: short stacking energy: -16.146 Base-Backbone interact. energy: -0.795 local terms energy: -31.563907 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.785 flat angles P-C4'-P energy: -3.998 tors. eta vs tors. theta energy: -1.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -51.862630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.862630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.862630 (E_RNA) where: Base-Base interactions energy: -14.734 where: short stacking energy: -14.315 Base-Backbone interact. energy: -0.012 local terms energy: -37.115856 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -6.900 flat angles P-C4'-P energy: -7.221 tors. eta vs tors. theta energy: -5.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -83.097147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.097147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.097147 (E_RNA) where: Base-Base interactions energy: -46.738 where: short stacking energy: -27.732 Base-Backbone interact. energy: -0.001 local terms energy: -36.358145 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -7.822 flat angles P-C4'-P energy: -4.902 tors. eta vs tors. theta energy: -7.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -55.308687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.308687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.308687 (E_RNA) where: Base-Base interactions energy: -22.676 where: short stacking energy: -22.676 Base-Backbone interact. energy: -0.008 local terms energy: -32.625281 where: bonds (distance) C4'-P energy: -5.166 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.961 flat angles P-C4'-P energy: -6.120 tors. eta vs tors. theta energy: -5.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -57.174486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.174486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.174486 (E_RNA) where: Base-Base interactions energy: -21.188 where: short stacking energy: -21.188 Base-Backbone interact. energy: -0.000 local terms energy: -35.986831 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -7.884 flat angles P-C4'-P energy: -5.681 tors. eta vs tors. theta energy: -6.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -48.035307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.035307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.035307 (E_RNA) where: Base-Base interactions energy: -25.440 where: short stacking energy: -10.219 Base-Backbone interact. energy: -0.080 local terms energy: -22.515202 where: bonds (distance) C4'-P energy: -5.662 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.484 flat angles P-C4'-P energy: -4.737 tors. eta vs tors. theta energy: 1.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -43.466332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.466332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.466332 (E_RNA) where: Base-Base interactions energy: -17.996 where: short stacking energy: -17.996 Base-Backbone interact. energy: -0.198 local terms energy: -25.271988 where: bonds (distance) C4'-P energy: -4.735 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -4.462 flat angles P-C4'-P energy: -4.985 tors. eta vs tors. theta energy: -2.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -45.857833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.857833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.857833 (E_RNA) where: Base-Base interactions energy: -17.355 where: short stacking energy: -17.355 Base-Backbone interact. energy: -0.011 local terms energy: -28.492191 where: bonds (distance) C4'-P energy: -6.540 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -7.387 flat angles P-C4'-P energy: -5.268 tors. eta vs tors. theta energy: -1.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -40.854172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.854172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.854172 (E_RNA) where: Base-Base interactions energy: -11.493 where: short stacking energy: -11.493 Base-Backbone interact. energy: -0.051 local terms energy: -29.309889 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -6.827 flat angles P-C4'-P energy: -2.405 tors. eta vs tors. theta energy: -3.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -66.996719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.996719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.996719 (E_RNA) where: Base-Base interactions energy: -29.258 where: short stacking energy: -29.258 Base-Backbone interact. energy: -0.000 local terms energy: -37.738839 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -8.872 flat angles P-C4'-P energy: -5.666 tors. eta vs tors. theta energy: -8.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -62.398659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.398659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.398659 (E_RNA) where: Base-Base interactions energy: -27.740 where: short stacking energy: -27.740 Base-Backbone interact. energy: -0.028 local terms energy: -34.631011 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -5.510 flat angles P-C4'-P energy: -6.095 tors. eta vs tors. theta energy: -7.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -69.602609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.602609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.602609 (E_RNA) where: Base-Base interactions energy: -33.554 where: short stacking energy: -23.895 Base-Backbone interact. energy: 0.170 local terms energy: -36.218365 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.737 flat angles P-C4'-P energy: -6.211 tors. eta vs tors. theta energy: -5.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -58.274855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.274855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.274855 (E_RNA) where: Base-Base interactions energy: -21.946 where: short stacking energy: -21.946 Base-Backbone interact. energy: -0.000 local terms energy: -36.328062 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -8.153 flat angles P-C4'-P energy: -5.975 tors. eta vs tors. theta energy: -5.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -44.464927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.464927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.464927 (E_RNA) where: Base-Base interactions energy: -18.056 where: short stacking energy: -18.056 Base-Backbone interact. energy: -0.012 local terms energy: -26.396067 where: bonds (distance) C4'-P energy: -4.633 bonds (distance) P-C4' energy: -5.939 flat angles C4'-P-C4' energy: -7.380 flat angles P-C4'-P energy: -4.545 tors. eta vs tors. theta energy: -3.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -66.041769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.041769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.041769 (E_RNA) where: Base-Base interactions energy: -28.058 where: short stacking energy: -25.411 Base-Backbone interact. energy: -0.000 local terms energy: -37.983690 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -8.423 flat angles P-C4'-P energy: -6.195 tors. eta vs tors. theta energy: -6.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -53.184139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.184139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.184139 (E_RNA) where: Base-Base interactions energy: -26.245 where: short stacking energy: -19.106 Base-Backbone interact. energy: -0.000 local terms energy: -26.939073 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -3.861 flat angles C4'-P-C4' energy: -6.813 flat angles P-C4'-P energy: -3.204 tors. eta vs tors. theta energy: -4.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -42.325366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.325366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.325366 (E_RNA) where: Base-Base interactions energy: -16.370 where: short stacking energy: -16.370 Base-Backbone interact. energy: -0.245 local terms energy: -25.710905 where: bonds (distance) C4'-P energy: -5.274 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -3.833 flat angles P-C4'-P energy: -5.757 tors. eta vs tors. theta energy: -1.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -39.706232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.706232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.706232 (E_RNA) where: Base-Base interactions energy: -19.348 where: short stacking energy: -19.348 Base-Backbone interact. energy: -0.066 local terms energy: -20.292591 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -3.152 flat angles C4'-P-C4' energy: -5.352 flat angles P-C4'-P energy: -2.840 tors. eta vs tors. theta energy: -1.467 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: 10, replica: 8 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -42.483945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.483945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.483945 (E_RNA) where: Base-Base interactions energy: -23.651 where: short stacking energy: -8.816 Base-Backbone interact. energy: 0.009 local terms energy: -18.841186 where: bonds (distance) C4'-P energy: -7.372 bonds (distance) P-C4' energy: -5.775 flat angles C4'-P-C4' energy: -2.142 flat angles P-C4'-P energy: -1.200 tors. eta vs tors. theta energy: -2.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -63.842892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.842892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.842892 (E_RNA) where: Base-Base interactions energy: -30.052 where: short stacking energy: -24.859 Base-Backbone interact. energy: -0.003 local terms energy: -33.788215 where: bonds (distance) C4'-P energy: -5.633 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -8.426 flat angles P-C4'-P energy: -5.408 tors. eta vs tors. theta energy: -5.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -63.104234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.104234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.104234 (E_RNA) where: Base-Base interactions energy: -27.068 where: short stacking energy: -27.068 Base-Backbone interact. energy: -0.101 local terms energy: -35.935668 where: bonds (distance) C4'-P energy: -7.133 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -6.631 flat angles P-C4'-P energy: -5.605 tors. eta vs tors. theta energy: -7.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -60.852825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.852825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.852825 (E_RNA) where: Base-Base interactions energy: -27.491 where: short stacking energy: -26.340 Base-Backbone interact. energy: -0.000 local terms energy: -33.362073 where: bonds (distance) C4'-P energy: -6.578 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -9.144 flat angles P-C4'-P energy: -2.541 tors. eta vs tors. theta energy: -8.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -62.926292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.926292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.926292 (E_RNA) where: Base-Base interactions energy: -27.452 where: short stacking energy: -27.452 Base-Backbone interact. energy: -0.061 local terms energy: -35.413162 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -8.576 flat angles P-C4'-P energy: -4.112 tors. eta vs tors. theta energy: -6.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -49.567048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.567048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.567048 (E_RNA) where: Base-Base interactions energy: -18.539 where: short stacking energy: -18.539 Base-Backbone interact. energy: -0.005 local terms energy: -31.023155 where: bonds (distance) C4'-P energy: -7.846 bonds (distance) P-C4' energy: -7.392 flat angles C4'-P-C4' energy: -6.162 flat angles P-C4'-P energy: -3.841 tors. eta vs tors. theta energy: -5.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -49.186198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.186198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.186198 (E_RNA) where: Base-Base interactions energy: -19.161 where: short stacking energy: -19.161 Base-Backbone interact. energy: -0.001 local terms energy: -30.024599 where: bonds (distance) C4'-P energy: -3.966 bonds (distance) P-C4' energy: -6.819 flat angles C4'-P-C4' energy: -7.318 flat angles P-C4'-P energy: -5.832 tors. eta vs tors. theta energy: -6.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -52.628160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.628160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.628160 (E_RNA) where: Base-Base interactions energy: -19.786 where: short stacking energy: -19.786 Base-Backbone interact. energy: -0.013 local terms energy: -32.829275 where: bonds (distance) C4'-P energy: -4.802 bonds (distance) P-C4' energy: -8.774 flat angles C4'-P-C4' energy: -8.335 flat angles P-C4'-P energy: -6.253 tors. eta vs tors. theta energy: -4.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -45.132069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.132069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.132069 (E_RNA) where: Base-Base interactions energy: -17.282 where: short stacking energy: -15.355 Base-Backbone interact. energy: -0.055 local terms energy: -27.794826 where: bonds (distance) C4'-P energy: -7.452 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -3.892 flat angles P-C4'-P energy: -5.477 tors. eta vs tors. theta energy: -3.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -38.763240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.763240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.763240 (E_RNA) where: Base-Base interactions energy: -12.957 where: short stacking energy: -8.525 Base-Backbone interact. energy: 1.077 local terms energy: -26.882814 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.877 flat angles P-C4'-P energy: -3.196 tors. eta vs tors. theta energy: -0.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -42.281623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.281623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.281623 (E_RNA) where: Base-Base interactions energy: -9.696 where: short stacking energy: -9.050 Base-Backbone interact. energy: -0.000 local terms energy: -32.585424 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -6.723 flat angles P-C4'-P energy: -5.034 tors. eta vs tors. theta energy: -3.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -59.653182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.653182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.653182 (E_RNA) where: Base-Base interactions energy: -25.517 where: short stacking energy: -25.517 Base-Backbone interact. energy: -0.000 local terms energy: -34.135385 where: bonds (distance) C4'-P energy: -7.555 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.758 flat angles P-C4'-P energy: -4.344 tors. eta vs tors. theta energy: -6.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -71.451157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.451157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.451157 (E_RNA) where: Base-Base interactions energy: -33.342 where: short stacking energy: -26.521 Base-Backbone interact. energy: -0.000 local terms energy: -38.109284 where: bonds (distance) C4'-P energy: -5.112 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.327 flat angles P-C4'-P energy: -4.869 tors. eta vs tors. theta energy: -11.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -51.537377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.537377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.537377 (E_RNA) where: Base-Base interactions energy: -19.953 where: short stacking energy: -19.953 Base-Backbone interact. energy: -0.002 local terms energy: -31.581812 where: bonds (distance) C4'-P energy: -6.370 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -6.522 flat angles P-C4'-P energy: -5.411 tors. eta vs tors. theta energy: -4.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -55.621483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.621483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.621483 (E_RNA) where: Base-Base interactions energy: -28.339 where: short stacking energy: -22.520 Base-Backbone interact. energy: -0.009 local terms energy: -27.274053 where: bonds (distance) C4'-P energy: -6.147 bonds (distance) P-C4' energy: -6.475 flat angles C4'-P-C4' energy: -5.438 flat angles P-C4'-P energy: -4.365 tors. eta vs tors. theta energy: -4.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -50.285812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.285812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.285812 (E_RNA) where: Base-Base interactions energy: -20.116 where: short stacking energy: -15.078 Base-Backbone interact. energy: 0.261 local terms energy: -30.430301 where: bonds (distance) C4'-P energy: -7.539 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.413 flat angles P-C4'-P energy: -4.000 tors. eta vs tors. theta energy: -4.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -55.335852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.335852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.335852 (E_RNA) where: Base-Base interactions energy: -31.963 where: short stacking energy: -10.357 Base-Backbone interact. energy: -0.003 local terms energy: -23.370272 where: bonds (distance) C4'-P energy: -7.303 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.453 flat angles P-C4'-P energy: -2.870 tors. eta vs tors. theta energy: 2.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -47.468220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.468220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.468220 (E_RNA) where: Base-Base interactions energy: -19.034 where: short stacking energy: -15.111 Base-Backbone interact. energy: -0.123 local terms energy: -28.311800 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -4.484 flat angles C4'-P-C4' energy: -8.743 flat angles P-C4'-P energy: -6.722 tors. eta vs tors. theta energy: -2.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -48.018957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.018957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.018957 (E_RNA) where: Base-Base interactions energy: -18.629 where: short stacking energy: -17.716 Base-Backbone interact. energy: -0.127 local terms energy: -29.263131 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -7.035 flat angles P-C4'-P energy: -3.812 tors. eta vs tors. theta energy: -3.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -42.309510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.309510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.309510 (E_RNA) where: Base-Base interactions energy: -14.476 where: short stacking energy: -14.476 Base-Backbone interact. energy: -0.005 local terms energy: -27.828188 where: bonds (distance) C4'-P energy: -5.680 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -8.039 flat angles P-C4'-P energy: -2.606 tors. eta vs tors. theta energy: -4.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -44.810719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.810719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.810719 (E_RNA) where: Base-Base interactions energy: -16.820 where: short stacking energy: -15.514 Base-Backbone interact. energy: -0.642 local terms energy: -27.349106 where: bonds (distance) C4'-P energy: -4.148 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -8.135 flat angles P-C4'-P energy: -5.120 tors. eta vs tors. theta energy: -1.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -69.192565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.192565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.192565 (E_RNA) where: Base-Base interactions energy: -30.271 where: short stacking energy: -30.271 Base-Backbone interact. energy: -0.000 local terms energy: -38.921161 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -7.809 flat angles P-C4'-P energy: -5.336 tors. eta vs tors. theta energy: -9.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -52.861178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.861178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.861178 (E_RNA) where: Base-Base interactions energy: -19.440 where: short stacking energy: -19.440 Base-Backbone interact. energy: -0.003 local terms energy: -33.418543 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.109 flat angles C4'-P-C4' energy: -7.243 flat angles P-C4'-P energy: -5.993 tors. eta vs tors. theta energy: -4.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -60.777568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.777568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.777568 (E_RNA) where: Base-Base interactions energy: -26.099 where: short stacking energy: -25.733 Base-Backbone interact. energy: -0.097 local terms energy: -34.581329 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -8.002 flat angles C4'-P-C4' energy: -6.282 flat angles P-C4'-P energy: -6.769 tors. eta vs tors. theta energy: -5.071 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: 4, replica: 6 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -54.200113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.200113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.200113 (E_RNA) where: Base-Base interactions energy: -22.328 where: short stacking energy: -22.328 Base-Backbone interact. energy: -0.004 local terms energy: -31.868235 where: bonds (distance) C4'-P energy: -6.805 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.137 flat angles P-C4'-P energy: -3.041 tors. eta vs tors. theta energy: -6.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -62.963963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.963963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.963963 (E_RNA) where: Base-Base interactions energy: -31.419 where: short stacking energy: -23.155 Base-Backbone interact. energy: -0.012 local terms energy: -31.532781 where: bonds (distance) C4'-P energy: -5.100 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.636 flat angles P-C4'-P energy: -5.082 tors. eta vs tors. theta energy: -6.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -41.944329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.944329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.944329 (E_RNA) where: Base-Base interactions energy: -19.516 where: short stacking energy: -19.164 Base-Backbone interact. energy: -0.621 local terms energy: -21.807903 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -3.033 flat angles P-C4'-P energy: -5.293 tors. eta vs tors. theta energy: 0.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -55.376428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.376428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.376428 (E_RNA) where: Base-Base interactions energy: -30.826 where: short stacking energy: -14.645 Base-Backbone interact. energy: -0.934 local terms energy: -23.616367 where: bonds (distance) C4'-P energy: -5.994 bonds (distance) P-C4' energy: -6.855 flat angles C4'-P-C4' energy: -4.957 flat angles P-C4'-P energy: -2.316 tors. eta vs tors. theta energy: -3.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -51.203314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.203314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.203314 (E_RNA) where: Base-Base interactions energy: -20.557 where: short stacking energy: -15.287 Base-Backbone interact. energy: -0.045 local terms energy: -30.602111 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.615 flat angles P-C4'-P energy: -4.158 tors. eta vs tors. theta energy: -3.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -40.995693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.995693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.995693 (E_RNA) where: Base-Base interactions energy: -9.901 where: short stacking energy: -9.901 Base-Backbone interact. energy: -0.080 local terms energy: -31.014492 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.973 flat angles P-C4'-P energy: -3.528 tors. eta vs tors. theta energy: -3.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -45.024724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.024724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.024724 (E_RNA) where: Base-Base interactions energy: -14.498 where: short stacking energy: -14.798 Base-Backbone interact. energy: -0.118 local terms energy: -30.409060 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -6.607 flat angles P-C4'-P energy: -3.636 tors. eta vs tors. theta energy: -3.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -57.179969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.179969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.179969 (E_RNA) where: Base-Base interactions energy: -20.708 where: short stacking energy: -20.708 Base-Backbone interact. energy: -0.003 local terms energy: -36.469241 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -7.992 flat angles P-C4'-P energy: -6.288 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: 2, replica: 3 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -58.470092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.470092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.470092 (E_RNA) where: Base-Base interactions energy: -27.923 where: short stacking energy: -23.197 Base-Backbone interact. energy: -0.100 local terms energy: -30.447290 where: bonds (distance) C4'-P energy: -6.022 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -6.819 flat angles P-C4'-P energy: -5.074 tors. eta vs tors. theta energy: -4.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -51.819696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.819696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.819696 (E_RNA) where: Base-Base interactions energy: -20.811 where: short stacking energy: -20.811 Base-Backbone interact. energy: 0.324 local terms energy: -31.333078 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -7.892 flat angles C4'-P-C4' energy: -7.006 flat angles P-C4'-P energy: -5.080 tors. eta vs tors. theta energy: -3.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -79.153438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.153438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.153438 (E_RNA) where: Base-Base interactions energy: -46.568 where: short stacking energy: -26.919 Base-Backbone interact. energy: -0.002 local terms energy: -32.583734 where: bonds (distance) C4'-P energy: -5.192 bonds (distance) P-C4' energy: -9.137 flat angles C4'-P-C4' energy: -8.341 flat angles P-C4'-P energy: -2.607 tors. eta vs tors. theta energy: -7.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -54.475291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.475291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.475291 (E_RNA) where: Base-Base interactions energy: -19.692 where: short stacking energy: -19.692 Base-Backbone interact. energy: -0.019 local terms energy: -34.763579 where: bonds (distance) C4'-P energy: -7.787 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.068 flat angles P-C4'-P energy: -6.382 tors. eta vs tors. theta energy: -5.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -48.059446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.059446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.059446 (E_RNA) where: Base-Base interactions energy: -18.776 where: short stacking energy: -18.776 Base-Backbone interact. energy: -0.120 local terms energy: -29.163789 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -6.759 flat angles P-C4'-P energy: -4.962 tors. eta vs tors. theta energy: -1.219 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: 7, replica: 8 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -55.979292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.979292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.979292 (E_RNA) where: Base-Base interactions energy: -24.755 where: short stacking energy: -20.164 Base-Backbone interact. energy: -0.041 local terms energy: -31.182620 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -7.601 flat angles P-C4'-P energy: -6.195 tors. eta vs tors. theta energy: -2.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -47.269212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.269212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.269212 (E_RNA) where: Base-Base interactions energy: -16.744 where: short stacking energy: -16.744 Base-Backbone interact. energy: -0.035 local terms energy: -30.489812 where: bonds (distance) C4'-P energy: -7.046 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -6.091 flat angles P-C4'-P energy: -6.745 tors. eta vs tors. theta energy: -2.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -40.311365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.311365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.311365 (E_RNA) where: Base-Base interactions energy: -14.381 where: short stacking energy: -14.381 Base-Backbone interact. energy: -0.084 local terms energy: -25.846571 where: bonds (distance) C4'-P energy: -5.945 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -6.458 flat angles P-C4'-P energy: -3.512 tors. eta vs tors. theta energy: -0.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -50.336945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.336945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.336945 (E_RNA) where: Base-Base interactions energy: -21.423 where: short stacking energy: -21.423 Base-Backbone interact. energy: -0.080 local terms energy: -28.833666 where: bonds (distance) C4'-P energy: -5.937 bonds (distance) P-C4' energy: -5.218 flat angles C4'-P-C4' energy: -6.708 flat angles P-C4'-P energy: -4.947 tors. eta vs tors. theta energy: -6.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -63.599709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.599709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.599709 (E_RNA) where: Base-Base interactions energy: -29.185 where: short stacking energy: -18.704 Base-Backbone interact. energy: -0.001 local terms energy: -34.414291 where: bonds (distance) C4'-P energy: -4.632 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.368 flat angles P-C4'-P energy: -6.494 tors. eta vs tors. theta energy: -5.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -54.928739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.928739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.928739 (E_RNA) where: Base-Base interactions energy: -26.349 where: short stacking energy: -26.349 Base-Backbone interact. energy: -0.148 local terms energy: -28.431305 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.578 flat angles C4'-P-C4' energy: -4.639 flat angles P-C4'-P energy: -4.804 tors. eta vs tors. theta energy: -6.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -52.620479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.620479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.620479 (E_RNA) where: Base-Base interactions energy: -26.226 where: short stacking energy: -21.350 Base-Backbone interact. energy: -0.075 local terms energy: -26.319489 where: bonds (distance) C4'-P energy: -6.719 bonds (distance) P-C4' energy: -6.938 flat angles C4'-P-C4' energy: -6.503 flat angles P-C4'-P energy: -5.559 tors. eta vs tors. theta energy: -0.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -62.629483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.629483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.629483 (E_RNA) where: Base-Base interactions energy: -29.494 where: short stacking energy: -21.034 Base-Backbone interact. energy: -0.039 local terms energy: -33.096748 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -8.871 flat angles P-C4'-P energy: -6.855 tors. eta vs tors. theta energy: -1.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -58.887916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.887916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.887916 (E_RNA) where: Base-Base interactions energy: -27.370 where: short stacking energy: -27.370 Base-Backbone interact. energy: -0.036 local terms energy: -31.482039 where: bonds (distance) C4'-P energy: -7.709 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -6.596 flat angles P-C4'-P energy: -5.116 tors. eta vs tors. theta energy: -4.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -50.058603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.058603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.058603 (E_RNA) where: Base-Base interactions energy: -19.593 where: short stacking energy: -19.593 Base-Backbone interact. energy: -0.000 local terms energy: -30.465708 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -5.656 flat angles C4'-P-C4' energy: -6.100 flat angles P-C4'-P energy: -5.155 tors. eta vs tors. theta energy: -5.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -50.944902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.944902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.944902 (E_RNA) where: Base-Base interactions energy: -20.663 where: short stacking energy: -15.714 Base-Backbone interact. energy: -0.005 local terms energy: -30.276619 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -6.422 flat angles P-C4'-P energy: -6.500 tors. eta vs tors. theta energy: -1.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -50.461703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.461703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.461703 (E_RNA) where: Base-Base interactions energy: -24.664 where: short stacking energy: -12.477 Base-Backbone interact. energy: -0.010 local terms energy: -25.787279 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -3.337 tors. eta vs tors. theta energy: -1.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -44.764180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.764180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.764180 (E_RNA) where: Base-Base interactions energy: -23.247 where: short stacking energy: -15.606 Base-Backbone interact. energy: -0.099 local terms energy: -21.418478 where: bonds (distance) C4'-P energy: -1.770 bonds (distance) P-C4' energy: -8.178 flat angles C4'-P-C4' energy: -6.921 flat angles P-C4'-P energy: -2.879 tors. eta vs tors. theta energy: -1.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -44.627278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.627278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.627278 (E_RNA) where: Base-Base interactions energy: -18.019 where: short stacking energy: -13.165 Base-Backbone interact. energy: -0.039 local terms energy: -26.568929 where: bonds (distance) C4'-P energy: -6.255 bonds (distance) P-C4' energy: -5.603 flat angles C4'-P-C4' energy: -4.585 flat angles P-C4'-P energy: -5.347 tors. eta vs tors. theta energy: -4.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -62.958366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.958366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.958366 (E_RNA) where: Base-Base interactions energy: -25.167 where: short stacking energy: -25.167 Base-Backbone interact. energy: -0.083 local terms energy: -37.709091 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -7.412 flat angles P-C4'-P energy: -5.595 tors. eta vs tors. theta energy: -6.717 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: 4 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -76.234925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.234925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.234925 (E_RNA) where: Base-Base interactions energy: -42.750 where: short stacking energy: -18.632 Base-Backbone interact. energy: -0.001 local terms energy: -33.483222 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -6.715 flat angles C4'-P-C4' energy: -8.358 flat angles P-C4'-P energy: -5.145 tors. eta vs tors. theta energy: -5.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -55.930716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.930716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.930716 (E_RNA) where: Base-Base interactions energy: -22.826 where: short stacking energy: -22.826 Base-Backbone interact. energy: -0.004 local terms energy: -33.100419 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -7.481 flat angles C4'-P-C4' energy: -4.632 flat angles P-C4'-P energy: -7.155 tors. eta vs tors. theta energy: -6.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -55.168624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.168624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.168624 (E_RNA) where: Base-Base interactions energy: -20.601 where: short stacking energy: -20.601 Base-Backbone interact. energy: -0.152 local terms energy: -34.415840 where: bonds (distance) C4'-P energy: -7.613 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -8.068 flat angles P-C4'-P energy: -6.851 tors. eta vs tors. theta energy: -2.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -51.443593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.443593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.443593 (E_RNA) where: Base-Base interactions energy: -21.707 where: short stacking energy: -21.707 Base-Backbone interact. energy: -0.001 local terms energy: -29.735732 where: bonds (distance) C4'-P energy: -6.681 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -5.059 flat angles P-C4'-P energy: -3.783 tors. eta vs tors. theta energy: -6.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -48.923795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.923795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.923795 (E_RNA) where: Base-Base interactions energy: -22.135 where: short stacking energy: -22.135 Base-Backbone interact. energy: -0.000 local terms energy: -26.788840 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -5.793 flat angles C4'-P-C4' energy: -7.956 flat angles P-C4'-P energy: -3.692 tors. eta vs tors. theta energy: -3.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -47.028835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.028835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.028835 (E_RNA) where: Base-Base interactions energy: -17.878 where: short stacking energy: -14.587 Base-Backbone interact. energy: -0.086 local terms energy: -29.065416 where: bonds (distance) C4'-P energy: -4.885 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.807 flat angles P-C4'-P energy: -5.254 tors. eta vs tors. theta energy: -1.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -45.807396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.807396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.807396 (E_RNA) where: Base-Base interactions energy: -16.002 where: short stacking energy: -16.002 Base-Backbone interact. energy: -0.015 local terms energy: -29.790212 where: bonds (distance) C4'-P energy: -6.604 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -7.492 flat angles P-C4'-P energy: -3.434 tors. eta vs tors. theta energy: -5.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -48.508769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.508769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.508769 (E_RNA) where: Base-Base interactions energy: -21.164 where: short stacking energy: -21.164 Base-Backbone interact. energy: -0.076 local terms energy: -27.268480 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -6.186 flat angles C4'-P-C4' energy: -2.582 flat angles P-C4'-P energy: -6.246 tors. eta vs tors. theta energy: -4.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -46.470062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.470062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.470062 (E_RNA) where: Base-Base interactions energy: -15.702 where: short stacking energy: -15.702 Base-Backbone interact. energy: -0.412 local terms energy: -30.355644 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -5.389 flat angles C4'-P-C4' energy: -7.455 flat angles P-C4'-P energy: -5.031 tors. eta vs tors. theta energy: -4.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -65.281257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.281257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.281257 (E_RNA) where: Base-Base interactions energy: -28.657 where: short stacking energy: -28.657 Base-Backbone interact. energy: -0.000 local terms energy: -36.623754 where: bonds (distance) C4'-P energy: -7.398 bonds (distance) P-C4' energy: -8.774 flat angles C4'-P-C4' energy: -6.441 flat angles P-C4'-P energy: -5.034 tors. eta vs tors. theta energy: -8.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -72.315803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.315803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.315803 (E_RNA) where: Base-Base interactions energy: -33.698 where: short stacking energy: -24.664 Base-Backbone interact. energy: -2.406 local terms energy: -36.211827 where: bonds (distance) C4'-P energy: -7.683 bonds (distance) P-C4' energy: -7.938 flat angles C4'-P-C4' energy: -7.423 flat angles P-C4'-P energy: -7.148 tors. eta vs tors. theta energy: -6.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -61.057748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.057748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.057748 (E_RNA) where: Base-Base interactions energy: -26.002 where: short stacking energy: -26.002 Base-Backbone interact. energy: -0.023 local terms energy: -35.032604 where: bonds (distance) C4'-P energy: -6.726 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -7.546 flat angles P-C4'-P energy: -4.779 tors. eta vs tors. theta energy: -7.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -64.217902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.217902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.217902 (E_RNA) where: Base-Base interactions energy: -26.792 where: short stacking energy: -26.792 Base-Backbone interact. energy: -0.000 local terms energy: -37.425406 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -5.508 flat angles P-C4'-P energy: -5.837 tors. eta vs tors. theta energy: -9.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -58.767790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.767790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.767790 (E_RNA) where: Base-Base interactions energy: -23.493 where: short stacking energy: -23.493 Base-Backbone interact. energy: -0.000 local terms energy: -35.274393 where: bonds (distance) C4'-P energy: -5.795 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -4.905 flat angles P-C4'-P energy: -5.780 tors. eta vs tors. theta energy: -9.440 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: 10 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -50.342576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.342576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.342576 (E_RNA) where: Base-Base interactions energy: -15.507 where: short stacking energy: -15.507 Base-Backbone interact. energy: 0.013 local terms energy: -34.848487 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -8.566 flat angles P-C4'-P energy: -6.204 tors. eta vs tors. theta energy: -5.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -49.359260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.359260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.359260 (E_RNA) where: Base-Base interactions energy: -17.794 where: short stacking energy: -17.794 Base-Backbone interact. energy: -0.000 local terms energy: -31.565116 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: -4.912 tors. eta vs tors. theta energy: -4.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -47.663062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.663062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.663062 (E_RNA) where: Base-Base interactions energy: -14.665 where: short stacking energy: -14.665 Base-Backbone interact. energy: -0.100 local terms energy: -32.897733 where: bonds (distance) C4'-P energy: -6.868 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -7.308 flat angles P-C4'-P energy: -4.021 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: 9, replica: 8 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -46.865577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.865577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.865577 (E_RNA) where: Base-Base interactions energy: -15.564 where: short stacking energy: -15.564 Base-Backbone interact. energy: -0.000 local terms energy: -31.301687 where: bonds (distance) C4'-P energy: -7.390 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -7.402 flat angles P-C4'-P energy: -5.881 tors. eta vs tors. theta energy: -2.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -38.762044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.762044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.762044 (E_RNA) where: Base-Base interactions energy: -16.296 where: short stacking energy: -15.596 Base-Backbone interact. energy: -0.042 local terms energy: -22.423857 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -3.373 flat angles C4'-P-C4' energy: -7.506 flat angles P-C4'-P energy: -5.467 tors. eta vs tors. theta energy: -0.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -83.023533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.023533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.023533 (E_RNA) where: Base-Base interactions energy: -44.502 where: short stacking energy: -33.997 Base-Backbone interact. energy: -0.000 local terms energy: -38.521145 where: bonds (distance) C4'-P energy: -7.361 bonds (distance) P-C4' energy: -8.796 flat angles C4'-P-C4' energy: -8.878 flat angles P-C4'-P energy: -6.490 tors. eta vs tors. theta energy: -6.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -67.586942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.586942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.586942 (E_RNA) where: Base-Base interactions energy: -30.107 where: short stacking energy: -30.107 Base-Backbone interact. energy: -0.000 local terms energy: -37.480391 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -7.643 flat angles C4'-P-C4' energy: -7.425 flat angles P-C4'-P energy: -6.354 tors. eta vs tors. theta energy: -7.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -63.120087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.120087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.120087 (E_RNA) where: Base-Base interactions energy: -33.570 where: short stacking energy: -20.190 Base-Backbone interact. energy: -0.120 local terms energy: -29.429947 where: bonds (distance) C4'-P energy: -7.340 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.566 flat angles P-C4'-P energy: -4.391 tors. eta vs tors. theta energy: -2.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -59.050635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.050635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.050635 (E_RNA) where: Base-Base interactions energy: -22.156 where: short stacking energy: -22.156 Base-Backbone interact. energy: -0.682 local terms energy: -36.212440 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -8.545 flat angles P-C4'-P energy: -7.090 tors. eta vs tors. theta energy: -6.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -53.326723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.326723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.326723 (E_RNA) where: Base-Base interactions energy: -23.953 where: short stacking energy: -21.868 Base-Backbone interact. energy: -0.001 local terms energy: -29.373433 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -4.765 flat angles P-C4'-P energy: -2.028 tors. eta vs tors. theta energy: -7.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -51.423525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.423525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.423525 (E_RNA) where: Base-Base interactions energy: -20.098 where: short stacking energy: -20.098 Base-Backbone interact. energy: -0.049 local terms energy: -31.276983 where: bonds (distance) C4'-P energy: -5.200 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.133 flat angles P-C4'-P energy: -5.880 tors. eta vs tors. theta energy: -3.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -54.780639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.780639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.780639 (E_RNA) where: Base-Base interactions energy: -23.888 where: short stacking energy: -21.558 Base-Backbone interact. energy: -1.364 local terms energy: -29.528839 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.156 flat angles P-C4'-P energy: -1.990 tors. eta vs tors. theta energy: -4.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -45.166343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.166343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.166343 (E_RNA) where: Base-Base interactions energy: -18.202 where: short stacking energy: -15.551 Base-Backbone interact. energy: -0.038 local terms energy: -26.926350 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.330 flat angles C4'-P-C4' energy: -4.228 flat angles P-C4'-P energy: -5.346 tors. eta vs tors. theta energy: -1.666 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: 274 Temperature: 1.300000 Total energy: -46.608876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.608876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.608876 (E_RNA) where: Base-Base interactions energy: -21.860 where: short stacking energy: -13.028 Base-Backbone interact. energy: -0.090 local terms energy: -24.658004 where: bonds (distance) C4'-P energy: -5.310 bonds (distance) P-C4' energy: -6.343 flat angles C4'-P-C4' energy: -6.061 flat angles P-C4'-P energy: -3.310 tors. eta vs tors. theta energy: -3.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -40.222235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.222235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.222235 (E_RNA) where: Base-Base interactions energy: -10.257 where: short stacking energy: -10.257 Base-Backbone interact. energy: -0.083 local terms energy: -29.882254 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -6.857 flat angles P-C4'-P energy: -2.932 tors. eta vs tors. theta energy: -2.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -79.563407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.563407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.563407 (E_RNA) where: Base-Base interactions energy: -44.910 where: short stacking energy: -26.042 Base-Backbone interact. energy: 0.467 local terms energy: -35.119636 where: bonds (distance) C4'-P energy: -3.548 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -7.908 flat angles P-C4'-P energy: -5.764 tors. eta vs tors. theta energy: -8.088 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: 275 Temperature: 0.950000 Total energy: -64.811441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.811441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.811441 (E_RNA) where: Base-Base interactions energy: -30.297 where: short stacking energy: -20.392 Base-Backbone interact. energy: 0.190 local terms energy: -34.704088 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.703 flat angles P-C4'-P energy: -6.213 tors. eta vs tors. theta energy: -3.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -58.282883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.282883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.282883 (E_RNA) where: Base-Base interactions energy: -22.023 where: short stacking energy: -22.023 Base-Backbone interact. energy: -0.048 local terms energy: -36.212358 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.650 flat angles C4'-P-C4' energy: -7.652 flat angles P-C4'-P energy: -6.203 tors. eta vs tors. theta energy: -6.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -58.587375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.587375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.587375 (E_RNA) where: Base-Base interactions energy: -28.426 where: short stacking energy: -28.426 Base-Backbone interact. energy: -0.059 local terms energy: -30.102879 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -6.315 flat angles C4'-P-C4' energy: -5.067 flat angles P-C4'-P energy: -6.508 tors. eta vs tors. theta energy: -5.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -55.457145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.457145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.457145 (E_RNA) where: Base-Base interactions energy: -21.081 where: short stacking energy: -21.081 Base-Backbone interact. energy: -0.019 local terms energy: -34.356980 where: bonds (distance) C4'-P energy: -7.452 bonds (distance) P-C4' energy: -8.109 flat angles C4'-P-C4' energy: -7.081 flat angles P-C4'-P energy: -6.839 tors. eta vs tors. theta energy: -4.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -51.746780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.746780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.746780 (E_RNA) where: Base-Base interactions energy: -19.391 where: short stacking energy: -19.391 Base-Backbone interact. energy: -0.000 local terms energy: -32.355526 where: bonds (distance) C4'-P energy: -6.397 bonds (distance) P-C4' energy: -7.766 flat angles C4'-P-C4' energy: -7.620 flat angles P-C4'-P energy: -6.363 tors. eta vs tors. theta energy: -4.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -46.088345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.088345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.088345 (E_RNA) where: Base-Base interactions energy: -16.387 where: short stacking energy: -16.387 Base-Backbone interact. energy: -0.000 local terms energy: -29.700732 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.106 flat angles P-C4'-P energy: -1.596 tors. eta vs tors. theta energy: -2.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -44.012969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.012969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.012969 (E_RNA) where: Base-Base interactions energy: -21.757 where: short stacking energy: -14.164 Base-Backbone interact. energy: -0.003 local terms energy: -22.253835 where: bonds (distance) C4'-P energy: -5.621 bonds (distance) P-C4' energy: -7.079 flat angles C4'-P-C4' energy: -3.742 flat angles P-C4'-P energy: -4.240 tors. eta vs tors. theta energy: -1.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -43.904037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.904037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.904037 (E_RNA) where: Base-Base interactions energy: -15.547 where: short stacking energy: -14.033 Base-Backbone interact. energy: -0.041 local terms energy: -28.315961 where: bonds (distance) C4'-P energy: -7.552 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.861 flat angles P-C4'-P energy: -4.251 tors. eta vs tors. theta energy: -0.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -41.117379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.117379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.117379 (E_RNA) where: Base-Base interactions energy: -13.140 where: short stacking energy: -13.140 Base-Backbone interact. energy: -0.063 local terms energy: -27.914643 where: bonds (distance) C4'-P energy: -6.826 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -7.862 flat angles P-C4'-P energy: -2.725 tors. eta vs tors. theta energy: -2.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -66.167623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.167623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.167623 (E_RNA) where: Base-Base interactions energy: -31.545 where: short stacking energy: -11.347 Base-Backbone interact. energy: -0.068 local terms energy: -34.554061 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.091 flat angles P-C4'-P energy: -6.758 tors. eta vs tors. theta energy: -3.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -66.445964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.445964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.445964 (E_RNA) where: Base-Base interactions energy: -27.193 where: short stacking energy: -27.193 Base-Backbone interact. energy: -0.015 local terms energy: -39.237476 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -7.716 flat angles P-C4'-P energy: -6.503 tors. eta vs tors. theta energy: -6.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -62.033593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.033593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.033593 (E_RNA) where: Base-Base interactions energy: -34.381 where: short stacking energy: -16.046 Base-Backbone interact. energy: -0.223 local terms energy: -27.429622 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -5.821 flat angles C4'-P-C4' energy: -7.384 flat angles P-C4'-P energy: -5.135 tors. eta vs tors. theta energy: -1.323 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: 5 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -58.829808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.829808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.829808 (E_RNA) where: Base-Base interactions energy: -23.096 where: short stacking energy: -23.096 Base-Backbone interact. energy: -0.000 local terms energy: -35.733862 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -7.792 flat angles P-C4'-P energy: -5.141 tors. eta vs tors. theta energy: -6.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -49.536916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.536916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.536916 (E_RNA) where: Base-Base interactions energy: -18.037 where: short stacking energy: -18.037 Base-Backbone interact. energy: -0.000 local terms energy: -31.499800 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -7.276 flat angles P-C4'-P energy: -5.492 tors. eta vs tors. theta energy: -2.155 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: 10 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -53.411061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.411061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.411061 (E_RNA) where: Base-Base interactions energy: -18.446 where: short stacking energy: -18.446 Base-Backbone interact. energy: -0.033 local terms energy: -34.932394 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -9.273 flat angles P-C4'-P energy: -4.962 tors. eta vs tors. theta energy: -2.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -52.350441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.350441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.350441 (E_RNA) where: Base-Base interactions energy: -28.778 where: short stacking energy: -11.970 Base-Backbone interact. energy: 0.548 local terms energy: -24.121307 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -7.242 flat angles P-C4'-P energy: -5.548 tors. eta vs tors. theta energy: 0.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -44.118274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.118274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.118274 (E_RNA) where: Base-Base interactions energy: -20.383 where: short stacking energy: -20.083 Base-Backbone interact. energy: -0.044 local terms energy: -23.691284 where: bonds (distance) C4'-P energy: -5.440 bonds (distance) P-C4' energy: -7.882 flat angles C4'-P-C4' energy: -2.833 flat angles P-C4'-P energy: -4.244 tors. eta vs tors. theta energy: -3.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -48.716518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.716518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.716518 (E_RNA) where: Base-Base interactions energy: -17.866 where: short stacking energy: -17.866 Base-Backbone interact. energy: -0.001 local terms energy: -30.850352 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -7.697 flat angles P-C4'-P energy: -2.616 tors. eta vs tors. theta energy: -2.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -42.689140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.689140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.689140 (E_RNA) where: Base-Base interactions energy: -14.399 where: short stacking energy: -14.399 Base-Backbone interact. energy: -0.164 local terms energy: -28.125971 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -7.063 flat angles C4'-P-C4' energy: -5.659 flat angles P-C4'-P energy: -6.126 tors. eta vs tors. theta energy: -1.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -72.704531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.704531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.704531 (E_RNA) where: Base-Base interactions energy: -41.647 where: short stacking energy: -22.149 Base-Backbone interact. energy: -0.141 local terms energy: -30.916788 where: bonds (distance) C4'-P energy: -7.671 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -8.779 flat angles P-C4'-P energy: -4.497 tors. eta vs tors. theta energy: -2.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -59.521234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.521234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.521234 (E_RNA) where: Base-Base interactions energy: -31.412 where: short stacking energy: -10.837 Base-Backbone interact. energy: 1.560 local terms energy: -29.669333 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.146 flat angles P-C4'-P energy: -6.925 tors. eta vs tors. theta energy: 0.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -63.314085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.314085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.314085 (E_RNA) where: Base-Base interactions energy: -29.300 where: short stacking energy: -21.552 Base-Backbone interact. energy: -0.089 local terms energy: -33.924617 where: bonds (distance) C4'-P energy: -6.449 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -6.811 flat angles P-C4'-P energy: -5.867 tors. eta vs tors. theta energy: -6.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -69.822638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.822638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.822638 (E_RNA) where: Base-Base interactions energy: -34.373 where: short stacking energy: -18.535 Base-Backbone interact. energy: -0.328 local terms energy: -35.121279 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -8.558 flat angles P-C4'-P energy: -5.262 tors. eta vs tors. theta energy: -4.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -53.806899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.806899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.806899 (E_RNA) where: Base-Base interactions energy: -24.098 where: short stacking energy: -24.098 Base-Backbone interact. energy: -0.005 local terms energy: -29.703163 where: bonds (distance) C4'-P energy: -5.022 bonds (distance) P-C4' energy: -7.241 flat angles C4'-P-C4' energy: -7.472 flat angles P-C4'-P energy: -4.379 tors. eta vs tors. theta energy: -5.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -55.790512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.790512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.790512 (E_RNA) where: Base-Base interactions energy: -21.326 where: short stacking energy: -21.326 Base-Backbone interact. energy: -0.094 local terms energy: -34.370220 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -7.511 flat angles P-C4'-P energy: -4.489 tors. eta vs tors. theta energy: -5.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -52.143273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.143273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.143273 (E_RNA) where: Base-Base interactions energy: -23.733 where: short stacking energy: -23.733 Base-Backbone interact. energy: -0.092 local terms energy: -28.318292 where: bonds (distance) C4'-P energy: -4.248 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -3.921 flat angles P-C4'-P energy: -4.957 tors. eta vs tors. theta energy: -6.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -45.604131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.604131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.604131 (E_RNA) where: Base-Base interactions energy: -20.975 where: short stacking energy: -18.930 Base-Backbone interact. energy: -0.030 local terms energy: -24.598754 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -7.321 flat angles C4'-P-C4' energy: -0.885 flat angles P-C4'-P energy: -3.398 tors. eta vs tors. theta energy: -5.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -40.496927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.496927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.496927 (E_RNA) where: Base-Base interactions energy: -19.358 where: short stacking energy: -14.348 Base-Backbone interact. energy: -0.585 local terms energy: -20.553832 where: bonds (distance) C4'-P energy: -1.896 bonds (distance) P-C4' energy: -5.671 flat angles C4'-P-C4' energy: -8.638 flat angles P-C4'-P energy: -3.089 tors. eta vs tors. theta energy: -1.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -42.379308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.379308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.379308 (E_RNA) where: Base-Base interactions energy: -21.111 where: short stacking energy: -17.988 Base-Backbone interact. energy: -0.066 local terms energy: -21.202475 where: bonds (distance) C4'-P energy: -4.666 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -5.366 flat angles P-C4'-P energy: -4.731 tors. eta vs tors. theta energy: -1.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -76.351203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.351203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.351203 (E_RNA) where: Base-Base interactions energy: -40.597 where: short stacking energy: -26.934 Base-Backbone interact. energy: -2.027 local terms energy: -33.727363 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -7.027 flat angles C4'-P-C4' energy: -7.262 flat angles P-C4'-P energy: -4.698 tors. eta vs tors. theta energy: -8.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -55.485413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.485413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.485413 (E_RNA) where: Base-Base interactions energy: -19.753 where: short stacking energy: -19.753 Base-Backbone interact. energy: -0.000 local terms energy: -35.731960 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -8.843 flat angles P-C4'-P energy: -2.570 tors. eta vs tors. theta energy: -7.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -62.907368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.907368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.907368 (E_RNA) where: Base-Base interactions energy: -33.351 where: short stacking energy: -22.040 Base-Backbone interact. energy: -0.000 local terms energy: -29.556025 where: bonds (distance) C4'-P energy: -6.059 bonds (distance) P-C4' energy: -8.311 flat angles C4'-P-C4' energy: -8.322 flat angles P-C4'-P energy: -2.619 tors. eta vs tors. theta energy: -4.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -50.077886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.077886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.077886 (E_RNA) where: Base-Base interactions energy: -19.623 where: short stacking energy: -19.623 Base-Backbone interact. energy: -1.062 local terms energy: -29.393024 where: bonds (distance) C4'-P energy: -6.929 bonds (distance) P-C4' energy: -4.569 flat angles C4'-P-C4' energy: -8.385 flat angles P-C4'-P energy: -4.134 tors. eta vs tors. theta energy: -5.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -48.864221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.864221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.864221 (E_RNA) where: Base-Base interactions energy: -22.740 where: short stacking energy: -15.056 Base-Backbone interact. energy: -0.089 local terms energy: -26.035019 where: bonds (distance) C4'-P energy: -6.620 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -3.729 flat angles P-C4'-P energy: -5.669 tors. eta vs tors. theta energy: -1.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -50.543978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.543978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.543978 (E_RNA) where: Base-Base interactions energy: -20.693 where: short stacking energy: -20.040 Base-Backbone interact. energy: -0.198 local terms energy: -29.652486 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -4.479 flat angles P-C4'-P energy: -5.638 tors. eta vs tors. theta energy: -2.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -47.955826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.955826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.955826 (E_RNA) where: Base-Base interactions energy: -20.737 where: short stacking energy: -17.875 Base-Backbone interact. energy: -0.005 local terms energy: -27.214443 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -5.890 flat angles P-C4'-P energy: -2.834 tors. eta vs tors. theta energy: -3.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -49.012382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.012382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.012382 (E_RNA) where: Base-Base interactions energy: -23.289 where: short stacking energy: -17.725 Base-Backbone interact. energy: 0.230 local terms energy: -25.952777 where: bonds (distance) C4'-P energy: -6.500 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -4.156 flat angles P-C4'-P energy: -3.114 tors. eta vs tors. theta energy: -3.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -38.652579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.652579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.652579 (E_RNA) where: Base-Base interactions energy: -13.705 where: short stacking energy: -10.146 Base-Backbone interact. energy: -0.072 local terms energy: -24.876244 where: bonds (distance) C4'-P energy: -3.452 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.662 flat angles P-C4'-P energy: -6.670 tors. eta vs tors. theta energy: -1.527 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: 10, replica: 1 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -38.158755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.158755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.158755 (E_RNA) where: Base-Base interactions energy: -13.971 where: short stacking energy: -11.282 Base-Backbone interact. energy: -0.229 local terms energy: -23.958748 where: bonds (distance) C4'-P energy: -3.469 bonds (distance) P-C4' energy: -7.674 flat angles C4'-P-C4' energy: -6.457 flat angles P-C4'-P energy: -5.706 tors. eta vs tors. theta energy: -0.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -75.078270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.078270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.078270 (E_RNA) where: Base-Base interactions energy: -41.903 where: short stacking energy: -26.522 Base-Backbone interact. energy: -0.032 local terms energy: -33.143285 where: bonds (distance) C4'-P energy: -6.175 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.856 flat angles P-C4'-P energy: -3.624 tors. eta vs tors. theta energy: -5.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -65.862139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.862139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.862139 (E_RNA) where: Base-Base interactions energy: -25.804 where: short stacking energy: -25.804 Base-Backbone interact. energy: -0.002 local terms energy: -40.055853 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -8.756 flat angles P-C4'-P energy: -5.556 tors. eta vs tors. theta energy: -9.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -52.275226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.275226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.275226 (E_RNA) where: Base-Base interactions energy: -21.580 where: short stacking energy: -18.005 Base-Backbone interact. energy: 0.157 local terms energy: -30.852513 where: bonds (distance) C4'-P energy: -6.904 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -8.275 flat angles P-C4'-P energy: -6.595 tors. eta vs tors. theta energy: -0.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -56.997670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.997670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.997670 (E_RNA) where: Base-Base interactions energy: -28.568 where: short stacking energy: -20.305 Base-Backbone interact. energy: 0.593 local terms energy: -29.023276 where: bonds (distance) C4'-P energy: -5.563 bonds (distance) P-C4' energy: -7.665 flat angles C4'-P-C4' energy: -7.927 flat angles P-C4'-P energy: -4.698 tors. eta vs tors. theta energy: -3.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -50.959707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.959707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.959707 (E_RNA) where: Base-Base interactions energy: -22.721 where: short stacking energy: -22.721 Base-Backbone interact. energy: -0.002 local terms energy: -28.236691 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -5.244 flat angles C4'-P-C4' energy: -7.567 flat angles P-C4'-P energy: -4.785 tors. eta vs tors. theta energy: -3.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -57.637591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.637591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.637591 (E_RNA) where: Base-Base interactions energy: -23.713 where: short stacking energy: -13.426 Base-Backbone interact. energy: -0.085 local terms energy: -33.839602 where: bonds (distance) C4'-P energy: -7.728 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.024 flat angles P-C4'-P energy: -6.940 tors. eta vs tors. theta energy: -3.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -56.516644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.516644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.516644 (E_RNA) where: Base-Base interactions energy: -25.262 where: short stacking energy: -25.262 Base-Backbone interact. energy: -0.000 local terms energy: -31.254863 where: bonds (distance) C4'-P energy: -7.001 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -7.876 flat angles P-C4'-P energy: -2.574 tors. eta vs tors. theta energy: -7.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -52.569732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.569732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.569732 (E_RNA) where: Base-Base interactions energy: -23.582 where: short stacking energy: -19.555 Base-Backbone interact. energy: -0.009 local terms energy: -28.978287 where: bonds (distance) C4'-P energy: -6.651 bonds (distance) P-C4' energy: -6.269 flat angles C4'-P-C4' energy: -8.214 flat angles P-C4'-P energy: -4.674 tors. eta vs tors. theta energy: -3.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -44.029848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.029848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.029848 (E_RNA) where: Base-Base interactions energy: -12.120 where: short stacking energy: -9.956 Base-Backbone interact. energy: -0.800 local terms energy: -31.110311 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -8.973 flat angles P-C4'-P energy: -6.081 tors. eta vs tors. theta energy: 1.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -44.088095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.088095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.088095 (E_RNA) where: Base-Base interactions energy: -20.699 where: short stacking energy: -20.699 Base-Backbone interact. energy: -0.011 local terms energy: -23.378434 where: bonds (distance) C4'-P energy: -5.237 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -3.652 flat angles P-C4'-P energy: -4.567 tors. eta vs tors. theta energy: -1.282 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: 1, replica: 7 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -69.916989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.916989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.916989 (E_RNA) where: Base-Base interactions energy: -37.745 where: short stacking energy: -18.220 Base-Backbone interact. energy: -0.050 local terms energy: -32.122806 where: bonds (distance) C4'-P energy: -6.192 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -5.754 flat angles P-C4'-P energy: -7.715 tors. eta vs tors. theta energy: -4.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -57.035504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.035504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.035504 (E_RNA) where: Base-Base interactions energy: -28.319 where: short stacking energy: -28.319 Base-Backbone interact. energy: -0.051 local terms energy: -28.666080 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -7.247 flat angles P-C4'-P energy: -4.683 tors. eta vs tors. theta energy: -4.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -65.701982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.701982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.701982 (E_RNA) where: Base-Base interactions energy: -33.533 where: short stacking energy: -23.181 Base-Backbone interact. energy: -0.128 local terms energy: -32.040824 where: bonds (distance) C4'-P energy: -5.888 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -8.605 flat angles P-C4'-P energy: -5.518 tors. eta vs tors. theta energy: -6.716 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: 4, replica: 3 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -53.769453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.769453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.769453 (E_RNA) where: Base-Base interactions energy: -25.776 where: short stacking energy: -19.284 Base-Backbone interact. energy: -0.087 local terms energy: -27.906823 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -7.118 flat angles C4'-P-C4' energy: -8.650 flat angles P-C4'-P energy: -2.873 tors. eta vs tors. theta energy: -3.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -61.296532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.296532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.296532 (E_RNA) where: Base-Base interactions energy: -31.452 where: short stacking energy: -21.710 Base-Backbone interact. energy: -0.006 local terms energy: -29.839050 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.659 flat angles C4'-P-C4' energy: -6.354 flat angles P-C4'-P energy: -6.600 tors. eta vs tors. theta energy: -5.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -55.904741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.904741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.904741 (E_RNA) where: Base-Base interactions energy: -24.192 where: short stacking energy: -20.698 Base-Backbone interact. energy: -0.097 local terms energy: -31.615016 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -8.002 flat angles C4'-P-C4' energy: -8.481 flat angles P-C4'-P energy: -4.692 tors. eta vs tors. theta energy: -4.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -57.937382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.937382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.937382 (E_RNA) where: Base-Base interactions energy: -24.385 where: short stacking energy: -24.385 Base-Backbone interact. energy: -0.017 local terms energy: -33.535312 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -6.734 flat angles C4'-P-C4' energy: -7.093 flat angles P-C4'-P energy: -4.534 tors. eta vs tors. theta energy: -7.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -46.419161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.419161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.419161 (E_RNA) where: Base-Base interactions energy: -16.580 where: short stacking energy: -16.580 Base-Backbone interact. energy: -0.002 local terms energy: -29.837045 where: bonds (distance) C4'-P energy: -4.463 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.143 flat angles P-C4'-P energy: -3.812 tors. eta vs tors. theta energy: -4.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -43.656760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.656760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.656760 (E_RNA) where: Base-Base interactions energy: -16.276 where: short stacking energy: -16.276 Base-Backbone interact. energy: -0.023 local terms energy: -27.357740 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -8.763 flat angles P-C4'-P energy: 0.494 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: 280 Temperature: 1.350000 Total energy: -41.200603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.200603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.200603 (E_RNA) where: Base-Base interactions energy: -18.994 where: short stacking energy: -18.994 Base-Backbone interact. energy: -0.107 local terms energy: -22.099591 where: bonds (distance) C4'-P energy: -2.923 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -3.760 flat angles P-C4'-P energy: -5.189 tors. eta vs tors. theta energy: -2.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -72.140395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.140395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.140395 (E_RNA) where: Base-Base interactions energy: -35.562 where: short stacking energy: -30.380 Base-Backbone interact. energy: -0.000 local terms energy: -36.578134 where: bonds (distance) C4'-P energy: -6.847 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -8.313 flat angles P-C4'-P energy: -4.285 tors. eta vs tors. theta energy: -7.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -75.878253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.878253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.878253 (E_RNA) where: Base-Base interactions energy: -37.331 where: short stacking energy: -27.515 Base-Backbone interact. energy: -0.087 local terms energy: -38.459803 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -9.237 flat angles P-C4'-P energy: -5.740 tors. eta vs tors. theta energy: -8.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -54.064462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.064462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.064462 (E_RNA) where: Base-Base interactions energy: -16.934 where: short stacking energy: -16.934 Base-Backbone interact. energy: -0.059 local terms energy: -37.071128 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -5.493 flat angles P-C4'-P energy: -7.231 tors. eta vs tors. theta energy: -6.804 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: 281 Temperature: 1.050000 Total energy: -65.729849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.729849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.729849 (E_RNA) where: Base-Base interactions energy: -28.991 where: short stacking energy: -28.991 Base-Backbone interact. energy: -0.000 local terms energy: -36.738881 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.640 flat angles P-C4'-P energy: -4.909 tors. eta vs tors. theta energy: -10.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -49.389573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.389573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.389573 (E_RNA) where: Base-Base interactions energy: -21.154 where: short stacking energy: -21.154 Base-Backbone interact. energy: -0.097 local terms energy: -28.139026 where: bonds (distance) C4'-P energy: -8.299 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -3.888 flat angles P-C4'-P energy: -6.163 tors. eta vs tors. theta energy: -2.458 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: 6, replica: 9 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -47.348963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.348963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.348963 (E_RNA) where: Base-Base interactions energy: -17.236 where: short stacking energy: -17.236 Base-Backbone interact. energy: -0.008 local terms energy: -30.105032 where: bonds (distance) C4'-P energy: -7.017 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -7.026 flat angles P-C4'-P energy: -3.866 tors. eta vs tors. theta energy: -2.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -49.174092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.174092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.174092 (E_RNA) where: Base-Base interactions energy: -17.189 where: short stacking energy: -17.039 Base-Backbone interact. energy: -0.001 local terms energy: -31.983192 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.516 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -5.532 tors. eta vs tors. theta energy: -3.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -48.682601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.682601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.682601 (E_RNA) where: Base-Base interactions energy: -21.051 where: short stacking energy: -19.138 Base-Backbone interact. energy: -0.001 local terms energy: -27.630420 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -5.918 flat angles C4'-P-C4' energy: -6.824 flat angles P-C4'-P energy: -1.659 tors. eta vs tors. theta energy: -5.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -38.164849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.164849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.164849 (E_RNA) where: Base-Base interactions energy: -15.894 where: short stacking energy: -15.894 Base-Backbone interact. energy: -0.059 local terms energy: -22.211720 where: bonds (distance) C4'-P energy: -4.454 bonds (distance) P-C4' energy: -7.219 flat angles C4'-P-C4' energy: -5.821 flat angles P-C4'-P energy: -3.384 tors. eta vs tors. theta energy: -1.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -44.229022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.229022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.229022 (E_RNA) where: Base-Base interactions energy: -15.753 where: short stacking energy: -13.646 Base-Backbone interact. energy: -0.129 local terms energy: -28.347201 where: bonds (distance) C4'-P energy: -5.212 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.436 flat angles P-C4'-P energy: -2.820 tors. eta vs tors. theta energy: -4.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -72.096409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.096409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.096409 (E_RNA) where: Base-Base interactions energy: -38.128 where: short stacking energy: -25.404 Base-Backbone interact. energy: -0.012 local terms energy: -33.956299 where: bonds (distance) C4'-P energy: -7.455 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -5.865 flat angles P-C4'-P energy: -6.713 tors. eta vs tors. theta energy: -6.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -75.409655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.409655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.409655 (E_RNA) where: Base-Base interactions energy: -36.997 where: short stacking energy: -29.169 Base-Backbone interact. energy: -0.001 local terms energy: -38.411991 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -7.628 flat angles C4'-P-C4' energy: -8.187 flat angles P-C4'-P energy: -6.179 tors. eta vs tors. theta energy: -8.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -68.144781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.144781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.144781 (E_RNA) where: Base-Base interactions energy: -29.099 where: short stacking energy: -27.879 Base-Backbone interact. energy: -0.001 local terms energy: -39.045280 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.640 flat angles P-C4'-P energy: -5.623 tors. eta vs tors. theta energy: -8.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -56.264673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.264673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.264673 (E_RNA) where: Base-Base interactions energy: -25.252 where: short stacking energy: -24.490 Base-Backbone interact. energy: -0.001 local terms energy: -31.011903 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -6.892 flat angles C4'-P-C4' energy: -6.663 flat angles P-C4'-P energy: -4.384 tors. eta vs tors. theta energy: -4.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -50.592928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.592928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.592928 (E_RNA) where: Base-Base interactions energy: -20.416 where: short stacking energy: -20.416 Base-Backbone interact. energy: -0.001 local terms energy: -30.175974 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -4.913 flat angles C4'-P-C4' energy: -6.856 flat angles P-C4'-P energy: -5.727 tors. eta vs tors. theta energy: -5.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -47.560055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.560055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.560055 (E_RNA) where: Base-Base interactions energy: -15.424 where: short stacking energy: -15.424 Base-Backbone interact. energy: -0.001 local terms energy: -32.134628 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -8.792 flat angles C4'-P-C4' energy: -7.219 flat angles P-C4'-P energy: -7.188 tors. eta vs tors. theta energy: -3.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -54.731498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.731498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.731498 (E_RNA) where: Base-Base interactions energy: -20.579 where: short stacking energy: -20.579 Base-Backbone interact. energy: -0.021 local terms energy: -34.132160 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.635 flat angles P-C4'-P energy: -6.416 tors. eta vs tors. theta energy: -3.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -48.441251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.441251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.441251 (E_RNA) where: Base-Base interactions energy: -14.837 where: short stacking energy: -14.837 Base-Backbone interact. energy: -0.018 local terms energy: -33.586442 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -8.898 flat angles P-C4'-P energy: -5.627 tors. eta vs tors. theta energy: -4.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -47.794439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.794439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.794439 (E_RNA) where: Base-Base interactions energy: -19.026 where: short stacking energy: -17.892 Base-Backbone interact. energy: -0.049 local terms energy: -28.718965 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -6.883 flat angles P-C4'-P energy: -3.301 tors. eta vs tors. theta energy: -3.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -35.164598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.164598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.164598 (E_RNA) where: Base-Base interactions energy: -13.121 where: short stacking energy: -13.121 Base-Backbone interact. energy: -0.010 local terms energy: -22.033093 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.280 flat angles C4'-P-C4' energy: -2.579 flat angles P-C4'-P energy: -0.519 tors. eta vs tors. theta energy: -2.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -70.000977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.000977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.000977 (E_RNA) where: Base-Base interactions energy: -36.289 where: short stacking energy: -17.310 Base-Backbone interact. energy: -0.001 local terms energy: -33.710710 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -8.836 flat angles P-C4'-P energy: -5.807 tors. eta vs tors. theta energy: -4.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -58.995004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.995004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.995004 (E_RNA) where: Base-Base interactions energy: -27.271 where: short stacking energy: -19.988 Base-Backbone interact. energy: -0.008 local terms energy: -31.716683 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -6.543 flat angles P-C4'-P energy: -4.629 tors. eta vs tors. theta energy: -4.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -74.955246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.955246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.955246 (E_RNA) where: Base-Base interactions energy: -36.635 where: short stacking energy: -23.123 Base-Backbone interact. energy: -0.000 local terms energy: -38.320714 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -8.708 flat angles P-C4'-P energy: -5.966 tors. eta vs tors. theta energy: -7.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -59.374654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.374654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.374654 (E_RNA) where: Base-Base interactions energy: -24.530 where: short stacking energy: -24.530 Base-Backbone interact. energy: -0.017 local terms energy: -34.828270 where: bonds (distance) C4'-P energy: -5.119 bonds (distance) P-C4' energy: -7.223 flat angles C4'-P-C4' energy: -9.364 flat angles P-C4'-P energy: -6.314 tors. eta vs tors. theta energy: -6.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -51.744287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.744287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.744287 (E_RNA) where: Base-Base interactions energy: -18.963 where: short stacking energy: -18.963 Base-Backbone interact. energy: -0.047 local terms energy: -32.734795 where: bonds (distance) C4'-P energy: -6.184 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -6.047 flat angles P-C4'-P energy: -3.039 tors. eta vs tors. theta energy: -8.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -50.208146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.208146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.208146 (E_RNA) where: Base-Base interactions energy: -17.961 where: short stacking energy: -14.307 Base-Backbone interact. energy: -0.053 local terms energy: -32.193931 where: bonds (distance) C4'-P energy: -5.349 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.394 flat angles P-C4'-P energy: -3.037 tors. eta vs tors. theta energy: -6.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -45.832875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.832875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.832875 (E_RNA) where: Base-Base interactions energy: -19.728 where: short stacking energy: -19.728 Base-Backbone interact. energy: -0.001 local terms energy: -26.104015 where: bonds (distance) C4'-P energy: -5.120 bonds (distance) P-C4' energy: -6.754 flat angles C4'-P-C4' energy: -7.611 flat angles P-C4'-P energy: -4.682 tors. eta vs tors. theta energy: -1.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -45.265843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.265843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.265843 (E_RNA) where: Base-Base interactions energy: -17.979 where: short stacking energy: -17.979 Base-Backbone interact. energy: -0.049 local terms energy: -27.237726 where: bonds (distance) C4'-P energy: -6.814 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -5.314 flat angles P-C4'-P energy: -3.212 tors. eta vs tors. theta energy: -4.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -46.435380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.435380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.435380 (E_RNA) where: Base-Base interactions energy: -19.094 where: short stacking energy: -19.094 Base-Backbone interact. energy: -0.006 local terms energy: -27.335489 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -6.418 flat angles C4'-P-C4' energy: -5.253 flat angles P-C4'-P energy: -4.739 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: 10, replica: 2 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -43.759516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.759516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.759516 (E_RNA) where: Base-Base interactions energy: -19.186 where: short stacking energy: -19.186 Base-Backbone interact. energy: 0.674 local terms energy: -25.247077 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -7.648 flat angles P-C4'-P energy: -2.686 tors. eta vs tors. theta energy: -1.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -82.933317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.933317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.933317 (E_RNA) where: Base-Base interactions energy: -50.843 where: short stacking energy: -26.079 Base-Backbone interact. energy: -0.002 local terms energy: -32.088662 where: bonds (distance) C4'-P energy: -6.976 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -6.436 flat angles P-C4'-P energy: -6.171 tors. eta vs tors. theta energy: -4.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -72.332404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.332404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.332404 (E_RNA) where: Base-Base interactions energy: -34.894 where: short stacking energy: -34.703 Base-Backbone interact. energy: -0.000 local terms energy: -37.437961 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.785 flat angles P-C4'-P energy: -4.900 tors. eta vs tors. theta energy: -8.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -58.004254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.004254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.004254 (E_RNA) where: Base-Base interactions energy: -23.302 where: short stacking energy: -20.667 Base-Backbone interact. energy: -0.071 local terms energy: -34.630948 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -7.481 flat angles C4'-P-C4' energy: -8.381 flat angles P-C4'-P energy: -5.030 tors. eta vs tors. theta energy: -5.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -68.740748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.740748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.740748 (E_RNA) where: Base-Base interactions energy: -30.394 where: short stacking energy: -30.184 Base-Backbone interact. energy: -0.000 local terms energy: -38.346507 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -8.021 flat angles P-C4'-P energy: -6.665 tors. eta vs tors. theta energy: -7.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -64.744151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.744151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.744151 (E_RNA) where: Base-Base interactions energy: -26.548 where: short stacking energy: -26.548 Base-Backbone interact. energy: -0.001 local terms energy: -38.195008 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -7.326 flat angles P-C4'-P energy: -4.672 tors. eta vs tors. theta energy: -8.145 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: 9 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -62.041594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.041594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.041594 (E_RNA) where: Base-Base interactions energy: -25.358 where: short stacking energy: -25.358 Base-Backbone interact. energy: -0.020 local terms energy: -36.663534 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -6.899 flat angles P-C4'-P energy: -3.768 tors. eta vs tors. theta energy: -9.182 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: 7, replica: 10 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -46.245497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.245497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.245497 (E_RNA) where: Base-Base interactions energy: -15.285 where: short stacking energy: -14.840 Base-Backbone interact. energy: -0.000 local terms energy: -30.960367 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -5.898 flat angles C4'-P-C4' energy: -8.251 flat angles P-C4'-P energy: -3.280 tors. eta vs tors. theta energy: -5.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -44.004082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.004082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.004082 (E_RNA) where: Base-Base interactions energy: -16.373 where: short stacking energy: -16.373 Base-Backbone interact. energy: -0.007 local terms energy: -27.623305 where: bonds (distance) C4'-P energy: -2.624 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -8.046 flat angles P-C4'-P energy: -5.943 tors. eta vs tors. theta energy: -3.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -39.757460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.757460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.757460 (E_RNA) where: Base-Base interactions energy: -9.796 where: short stacking energy: -9.796 Base-Backbone interact. energy: -0.004 local terms energy: -29.957789 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -5.687 flat angles P-C4'-P energy: -7.203 tors. eta vs tors. theta energy: -1.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -45.881747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.881747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.881747 (E_RNA) where: Base-Base interactions energy: -19.906 where: short stacking energy: -17.986 Base-Backbone interact. energy: 0.033 local terms energy: -26.008938 where: bonds (distance) C4'-P energy: -4.839 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -7.699 flat angles P-C4'-P energy: -2.810 tors. eta vs tors. theta energy: -3.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -84.803849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.803849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.803849 (E_RNA) where: Base-Base interactions energy: -46.720 where: short stacking energy: -30.003 Base-Backbone interact. energy: -0.661 local terms energy: -37.423385 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -6.800 flat angles P-C4'-P energy: -6.003 tors. eta vs tors. theta energy: -8.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -62.388057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.388057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.388057 (E_RNA) where: Base-Base interactions energy: -35.270 where: short stacking energy: -19.946 Base-Backbone interact. energy: -0.004 local terms energy: -27.114187 where: bonds (distance) C4'-P energy: -6.790 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -7.086 flat angles P-C4'-P energy: -1.695 tors. eta vs tors. theta energy: -4.735 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: 7 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -54.407875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.407875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.407875 (E_RNA) where: Base-Base interactions energy: -25.276 where: short stacking energy: -25.276 Base-Backbone interact. energy: -0.002 local terms energy: -29.129356 where: bonds (distance) C4'-P energy: -6.569 bonds (distance) P-C4' energy: -3.622 flat angles C4'-P-C4' energy: -6.853 flat angles P-C4'-P energy: -5.510 tors. eta vs tors. theta energy: -6.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -72.793804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.793804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.793804 (E_RNA) where: Base-Base interactions energy: -36.032 where: short stacking energy: -28.570 Base-Backbone interact. energy: -0.000 local terms energy: -36.761823 where: bonds (distance) C4'-P energy: -6.761 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -6.580 flat angles P-C4'-P energy: -5.217 tors. eta vs tors. theta energy: -9.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -69.925029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.925029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.925029 (E_RNA) where: Base-Base interactions energy: -32.024 where: short stacking energy: -32.024 Base-Backbone interact. energy: -0.000 local terms energy: -37.900550 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -5.433 flat angles P-C4'-P energy: -5.956 tors. eta vs tors. theta energy: -9.513 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: 10 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -59.687093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.687093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.687093 (E_RNA) where: Base-Base interactions energy: -27.119 where: short stacking energy: -17.734 Base-Backbone interact. energy: -0.623 local terms energy: -31.945301 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -8.796 flat angles C4'-P-C4' energy: -5.237 flat angles P-C4'-P energy: -4.805 tors. eta vs tors. theta energy: -5.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -43.947452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.947452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.947452 (E_RNA) where: Base-Base interactions energy: -13.563 where: short stacking energy: -13.563 Base-Backbone interact. energy: -0.065 local terms energy: -30.319147 where: bonds (distance) C4'-P energy: -7.001 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.560 flat angles P-C4'-P energy: -6.187 tors. eta vs tors. theta energy: -0.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -46.641262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.641262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.641262 (E_RNA) where: Base-Base interactions energy: -20.470 where: short stacking energy: -17.223 Base-Backbone interact. energy: -0.060 local terms energy: -26.111171 where: bonds (distance) C4'-P energy: -5.290 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.683 flat angles P-C4'-P energy: -3.815 tors. eta vs tors. theta energy: -1.686 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: 9, replica: 3 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -52.579484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.579484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.579484 (E_RNA) where: Base-Base interactions energy: -21.780 where: short stacking energy: -21.618 Base-Backbone interact. energy: -0.103 local terms energy: -30.696951 where: bonds (distance) C4'-P energy: -6.859 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -5.473 flat angles P-C4'-P energy: -4.641 tors. eta vs tors. theta energy: -5.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -44.748465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.748465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.748465 (E_RNA) where: Base-Base interactions energy: -16.565 where: short stacking energy: -16.565 Base-Backbone interact. energy: -0.060 local terms energy: -28.123495 where: bonds (distance) C4'-P energy: -3.465 bonds (distance) P-C4' energy: -8.312 flat angles C4'-P-C4' energy: -7.881 flat angles P-C4'-P energy: -3.979 tors. eta vs tors. theta energy: -4.487 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: 6 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -75.309542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.309542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.309542 (E_RNA) where: Base-Base interactions energy: -40.650 where: short stacking energy: -24.482 Base-Backbone interact. energy: -0.080 local terms energy: -34.580112 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -9.062 flat angles P-C4'-P energy: -4.619 tors. eta vs tors. theta energy: -4.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -64.731013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.731013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.731013 (E_RNA) where: Base-Base interactions energy: -32.197 where: short stacking energy: -18.997 Base-Backbone interact. energy: -0.002 local terms energy: -32.532313 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -7.156 flat angles P-C4'-P energy: -6.208 tors. eta vs tors. theta energy: -2.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -60.467404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.467404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.467404 (E_RNA) where: Base-Base interactions energy: -23.378 where: short stacking energy: -21.306 Base-Backbone interact. energy: -0.000 local terms energy: -37.089433 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.510 flat angles C4'-P-C4' energy: -8.229 flat angles P-C4'-P energy: -5.064 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: 4, replica: 7 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -60.668325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.668325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.668325 (E_RNA) where: Base-Base interactions energy: -28.940 where: short stacking energy: -28.940 Base-Backbone interact. energy: -0.000 local terms energy: -31.728363 where: bonds (distance) C4'-P energy: -6.748 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -5.961 flat angles P-C4'-P energy: -4.679 tors. eta vs tors. theta energy: -6.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -48.284229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.284229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.284229 (E_RNA) where: Base-Base interactions energy: -18.734 where: short stacking energy: -18.734 Base-Backbone interact. energy: -0.017 local terms energy: -29.533650 where: bonds (distance) C4'-P energy: -6.883 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -5.395 flat angles P-C4'-P energy: -4.095 tors. eta vs tors. theta energy: -3.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -47.569146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.569146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.569146 (E_RNA) where: Base-Base interactions energy: -14.614 where: short stacking energy: -11.129 Base-Backbone interact. energy: -0.002 local terms energy: -32.953247 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -9.042 flat angles C4'-P-C4' energy: -8.280 flat angles P-C4'-P energy: -5.758 tors. eta vs tors. theta energy: -2.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -47.307942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.307942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.307942 (E_RNA) where: Base-Base interactions energy: -18.258 where: short stacking energy: -18.258 Base-Backbone interact. energy: -0.000 local terms energy: -29.049788 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.060 flat angles P-C4'-P energy: -3.660 tors. eta vs tors. theta energy: -4.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -46.653670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.653670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.653670 (E_RNA) where: Base-Base interactions energy: -20.326 where: short stacking energy: -20.326 Base-Backbone interact. energy: -0.006 local terms energy: -26.322275 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -6.613 flat angles P-C4'-P energy: -1.876 tors. eta vs tors. theta energy: -2.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -49.254752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.254752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.254752 (E_RNA) where: Base-Base interactions energy: -20.237 where: short stacking energy: -19.458 Base-Backbone interact. energy: 1.781 local terms energy: -30.798922 where: bonds (distance) C4'-P energy: -6.769 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -5.410 flat angles P-C4'-P energy: -8.103 tors. eta vs tors. theta energy: -1.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -36.663245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.663245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.663245 (E_RNA) where: Base-Base interactions energy: -14.774 where: short stacking energy: -7.663 Base-Backbone interact. energy: 0.345 local terms energy: -22.233776 where: bonds (distance) C4'-P energy: -5.722 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -5.691 flat angles P-C4'-P energy: -4.090 tors. eta vs tors. theta energy: -0.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -80.952753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.952753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.952753 (E_RNA) where: Base-Base interactions energy: -45.424 where: short stacking energy: -30.273 Base-Backbone interact. energy: -0.003 local terms energy: -35.525802 where: bonds (distance) C4'-P energy: -6.826 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -7.475 flat angles P-C4'-P energy: -5.707 tors. eta vs tors. theta energy: -6.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -67.276865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.276865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.276865 (E_RNA) where: Base-Base interactions energy: -31.897 where: short stacking energy: -31.897 Base-Backbone interact. energy: -0.000 local terms energy: -35.379439 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -6.116 flat angles C4'-P-C4' energy: -8.211 flat angles P-C4'-P energy: -5.956 tors. eta vs tors. theta energy: -8.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -51.252040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.252040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.252040 (E_RNA) where: Base-Base interactions energy: -19.288 where: short stacking energy: -19.288 Base-Backbone interact. energy: -0.077 local terms energy: -31.887020 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -8.337 flat angles P-C4'-P energy: -6.219 tors. eta vs tors. theta energy: -0.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -49.934831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.934831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.934831 (E_RNA) where: Base-Base interactions energy: -20.245 where: short stacking energy: -20.245 Base-Backbone interact. energy: -0.091 local terms energy: -29.598780 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -5.016 flat angles P-C4'-P energy: -4.036 tors. eta vs tors. theta energy: -5.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -54.477191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.477191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.477191 (E_RNA) where: Base-Base interactions energy: -28.113 where: short stacking energy: -15.140 Base-Backbone interact. energy: -0.040 local terms energy: -26.324809 where: bonds (distance) C4'-P energy: -7.133 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -8.031 flat angles P-C4'-P energy: -2.610 tors. eta vs tors. theta energy: -2.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -48.175704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.175704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.175704 (E_RNA) where: Base-Base interactions energy: -17.640 where: short stacking energy: -17.640 Base-Backbone interact. energy: -0.000 local terms energy: -30.535538 where: bonds (distance) C4'-P energy: -6.350 bonds (distance) P-C4' energy: -5.918 flat angles C4'-P-C4' energy: -5.671 flat angles P-C4'-P energy: -5.485 tors. eta vs tors. theta energy: -7.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -60.180819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.180819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.180819 (E_RNA) where: Base-Base interactions energy: -24.201 where: short stacking energy: -21.270 Base-Backbone interact. energy: -0.056 local terms energy: -35.923868 where: bonds (distance) C4'-P energy: -7.878 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.673 flat angles P-C4'-P energy: -4.109 tors. eta vs tors. theta energy: -7.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -48.082675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.082675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.082675 (E_RNA) where: Base-Base interactions energy: -17.475 where: short stacking energy: -16.087 Base-Backbone interact. energy: -0.001 local terms energy: -30.606647 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -6.570 flat angles C4'-P-C4' energy: -7.886 flat angles P-C4'-P energy: -4.265 tors. eta vs tors. theta energy: -5.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -45.458591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.458591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.458591 (E_RNA) where: Base-Base interactions energy: -15.003 where: short stacking energy: -15.003 Base-Backbone interact. energy: -0.000 local terms energy: -30.455394 where: bonds (distance) C4'-P energy: -7.969 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -6.923 flat angles P-C4'-P energy: -6.290 tors. eta vs tors. theta energy: -2.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -44.700707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.700707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.700707 (E_RNA) where: Base-Base interactions energy: -16.123 where: short stacking energy: -16.123 Base-Backbone interact. energy: -0.082 local terms energy: -28.495177 where: bonds (distance) C4'-P energy: -4.239 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.599 flat angles P-C4'-P energy: -3.777 tors. eta vs tors. theta energy: -5.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -66.654291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.654291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.654291 (E_RNA) where: Base-Base interactions energy: -29.827 where: short stacking energy: -29.827 Base-Backbone interact. energy: -0.000 local terms energy: -36.826969 where: bonds (distance) C4'-P energy: -7.340 bonds (distance) P-C4' energy: -4.727 flat angles C4'-P-C4' energy: -8.757 flat angles P-C4'-P energy: -6.872 tors. eta vs tors. theta energy: -9.132 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: 6 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -76.494709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.494709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.494709 (E_RNA) where: Base-Base interactions energy: -43.824 where: short stacking energy: -28.132 Base-Backbone interact. energy: -0.006 local terms energy: -32.664335 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -8.425 flat angles P-C4'-P energy: -5.598 tors. eta vs tors. theta energy: -3.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -55.121915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.121915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.121915 (E_RNA) where: Base-Base interactions energy: -21.584 where: short stacking energy: -21.584 Base-Backbone interact. energy: -0.000 local terms energy: -33.538300 where: bonds (distance) C4'-P energy: -6.966 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.298 flat angles P-C4'-P energy: -4.913 tors. eta vs tors. theta energy: -5.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -53.654420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.654420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.654420 (E_RNA) where: Base-Base interactions energy: -22.288 where: short stacking energy: -22.288 Base-Backbone interact. energy: -0.161 local terms energy: -31.205912 where: bonds (distance) C4'-P energy: -4.662 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -7.283 flat angles P-C4'-P energy: -6.286 tors. eta vs tors. theta energy: -3.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -53.748428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.748428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.748428 (E_RNA) where: Base-Base interactions energy: -21.251 where: short stacking energy: -21.251 Base-Backbone interact. energy: -0.009 local terms energy: -32.488157 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -6.145 flat angles P-C4'-P energy: -5.143 tors. eta vs tors. theta energy: -4.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -51.348037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.348037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.348037 (E_RNA) where: Base-Base interactions energy: -22.978 where: short stacking energy: -20.542 Base-Backbone interact. energy: -0.007 local terms energy: -28.363184 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -4.960 flat angles P-C4'-P energy: -4.703 tors. eta vs tors. theta energy: -3.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -54.273187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.273187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.273187 (E_RNA) where: Base-Base interactions energy: -26.131 where: short stacking energy: -20.009 Base-Backbone interact. energy: -0.004 local terms energy: -28.138004 where: bonds (distance) C4'-P energy: -5.552 bonds (distance) P-C4' energy: -5.435 flat angles C4'-P-C4' energy: -6.419 flat angles P-C4'-P energy: -3.098 tors. eta vs tors. theta energy: -7.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -42.016581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.016581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.016581 (E_RNA) where: Base-Base interactions energy: -15.719 where: short stacking energy: -15.719 Base-Backbone interact. energy: -0.032 local terms energy: -26.266211 where: bonds (distance) C4'-P energy: -5.845 bonds (distance) P-C4' energy: -5.376 flat angles C4'-P-C4' energy: -7.584 flat angles P-C4'-P energy: -2.797 tors. eta vs tors. theta energy: -4.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -40.124256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.124256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.124256 (E_RNA) where: Base-Base interactions energy: -16.537 where: short stacking energy: -16.537 Base-Backbone interact. energy: -0.014 local terms energy: -23.572779 where: bonds (distance) C4'-P energy: -7.832 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -3.226 flat angles P-C4'-P energy: -1.491 tors. eta vs tors. theta energy: -3.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -49.069810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.069810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.069810 (E_RNA) where: Base-Base interactions energy: -16.828 where: short stacking energy: -16.828 Base-Backbone interact. energy: -0.000 local terms energy: -32.241637 where: bonds (distance) C4'-P energy: -6.533 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -5.939 flat angles P-C4'-P energy: -5.241 tors. eta vs tors. theta energy: -5.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -64.792193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.792193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.792193 (E_RNA) where: Base-Base interactions energy: -39.442 where: short stacking energy: -27.698 Base-Backbone interact. energy: -0.092 local terms energy: -25.257821 where: bonds (distance) C4'-P energy: -5.782 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -8.662 flat angles P-C4'-P energy: -0.868 tors. eta vs tors. theta energy: -2.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -61.025677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.025677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.025677 (E_RNA) where: Base-Base interactions energy: -25.667 where: short stacking energy: -25.667 Base-Backbone interact. energy: -0.610 local terms energy: -34.748882 where: bonds (distance) C4'-P energy: -5.439 bonds (distance) P-C4' energy: -8.055 flat angles C4'-P-C4' energy: -9.163 flat angles P-C4'-P energy: -6.419 tors. eta vs tors. theta energy: -5.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -61.708182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.708182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.708182 (E_RNA) where: Base-Base interactions energy: -28.629 where: short stacking energy: -28.629 Base-Backbone interact. energy: -0.000 local terms energy: -33.078692 where: bonds (distance) C4'-P energy: -5.584 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -6.690 flat angles P-C4'-P energy: -5.372 tors. eta vs tors. theta energy: -8.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -51.814737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.814737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.814737 (E_RNA) where: Base-Base interactions energy: -19.889 where: short stacking energy: -19.889 Base-Backbone interact. energy: -0.012 local terms energy: -31.913886 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.685 flat angles P-C4'-P energy: -3.812 tors. eta vs tors. theta energy: -4.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -48.559102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.559102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.559102 (E_RNA) where: Base-Base interactions energy: -21.026 where: short stacking energy: -16.900 Base-Backbone interact. energy: 0.422 local terms energy: -27.955061 where: bonds (distance) C4'-P energy: -6.343 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.220 flat angles P-C4'-P energy: -4.005 tors. eta vs tors. theta energy: -3.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -56.041308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.041308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.041308 (E_RNA) where: Base-Base interactions energy: -21.071 where: short stacking energy: -21.071 Base-Backbone interact. energy: -0.004 local terms energy: -34.965907 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -7.790 flat angles P-C4'-P energy: -5.675 tors. eta vs tors. theta energy: -5.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -47.184679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.184679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.184679 (E_RNA) where: Base-Base interactions energy: -18.003 where: short stacking energy: -18.003 Base-Backbone interact. energy: -0.008 local terms energy: -29.174099 where: bonds (distance) C4'-P energy: -6.147 bonds (distance) P-C4' energy: -7.889 flat angles C4'-P-C4' energy: -7.249 flat angles P-C4'-P energy: -5.113 tors. eta vs tors. theta energy: -2.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -46.398698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.398698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.398698 (E_RNA) where: Base-Base interactions energy: -18.009 where: short stacking energy: -16.337 Base-Backbone interact. energy: -0.039 local terms energy: -28.350400 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -7.785 flat angles P-C4'-P energy: -1.001 tors. eta vs tors. theta energy: -2.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -43.136309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.136309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.136309 (E_RNA) where: Base-Base interactions energy: -14.546 where: short stacking energy: -9.674 Base-Backbone interact. energy: -0.080 local terms energy: -28.511014 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -7.575 flat angles C4'-P-C4' energy: -7.023 flat angles P-C4'-P energy: -4.029 tors. eta vs tors. theta energy: -2.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -37.366032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.366032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.366032 (E_RNA) where: Base-Base interactions energy: -11.674 where: short stacking energy: -11.335 Base-Backbone interact. energy: 1.467 local terms energy: -27.158809 where: bonds (distance) C4'-P energy: -7.361 bonds (distance) P-C4' energy: -4.615 flat angles C4'-P-C4' energy: -7.951 flat angles P-C4'-P energy: -4.197 tors. eta vs tors. theta energy: -3.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -60.917428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.917428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.917428 (E_RNA) where: Base-Base interactions energy: -26.196 where: short stacking energy: -25.816 Base-Backbone interact. energy: -0.048 local terms energy: -34.673938 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -8.464 flat angles P-C4'-P energy: -5.076 tors. eta vs tors. theta energy: -5.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -57.750530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.750530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.750530 (E_RNA) where: Base-Base interactions energy: -26.370 where: short stacking energy: -17.033 Base-Backbone interact. energy: -0.175 local terms energy: -31.205762 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -6.424 flat angles C4'-P-C4' energy: -7.626 flat angles P-C4'-P energy: -6.893 tors. eta vs tors. theta energy: -2.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -68.290659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.290659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.290659 (E_RNA) where: Base-Base interactions energy: -33.859 where: short stacking energy: -20.683 Base-Backbone interact. energy: -0.050 local terms energy: -34.381706 where: bonds (distance) C4'-P energy: -6.229 bonds (distance) P-C4' energy: -7.491 flat angles C4'-P-C4' energy: -8.031 flat angles P-C4'-P energy: -5.890 tors. eta vs tors. theta energy: -6.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -61.541807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.541807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.541807 (E_RNA) where: Base-Base interactions energy: -27.439 where: short stacking energy: -27.439 Base-Backbone interact. energy: -0.000 local terms energy: -34.102447 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.504 flat angles P-C4'-P energy: -1.815 tors. eta vs tors. theta energy: -10.509 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: 4 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -54.715863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.715863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.715863 (E_RNA) where: Base-Base interactions energy: -22.093 where: short stacking energy: -17.393 Base-Backbone interact. energy: -0.065 local terms energy: -32.557578 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -8.226 flat angles P-C4'-P energy: -4.794 tors. eta vs tors. theta energy: -5.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -51.261073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.261073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.261073 (E_RNA) where: Base-Base interactions energy: -20.192 where: short stacking energy: -20.192 Base-Backbone interact. energy: -0.265 local terms energy: -30.804654 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -5.510 flat angles C4'-P-C4' energy: -6.837 flat angles P-C4'-P energy: -0.804 tors. eta vs tors. theta energy: -10.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -53.162854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.162854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.162854 (E_RNA) where: Base-Base interactions energy: -23.080 where: short stacking energy: -23.080 Base-Backbone interact. energy: -0.011 local terms energy: -30.072231 where: bonds (distance) C4'-P energy: -7.435 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -6.486 flat angles P-C4'-P energy: -3.428 tors. eta vs tors. theta energy: -5.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -52.120748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.120748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.120748 (E_RNA) where: Base-Base interactions energy: -21.575 where: short stacking energy: -21.575 Base-Backbone interact. energy: -0.000 local terms energy: -30.545558 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -7.341 flat angles P-C4'-P energy: -3.118 tors. eta vs tors. theta energy: -3.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -43.420236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.420236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.420236 (E_RNA) where: Base-Base interactions energy: -18.195 where: short stacking energy: -10.818 Base-Backbone interact. energy: -0.805 local terms energy: -24.420552 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -7.168 flat angles C4'-P-C4' energy: -7.451 flat angles P-C4'-P energy: -1.076 tors. eta vs tors. theta energy: -2.859 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: 10, replica: 2 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -44.710372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.710372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.710372 (E_RNA) where: Base-Base interactions energy: -14.510 where: short stacking energy: -14.510 Base-Backbone interact. energy: -0.102 local terms energy: -30.099032 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -6.375 flat angles P-C4'-P energy: -5.726 tors. eta vs tors. theta energy: -2.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -60.478996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.478996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.478996 (E_RNA) where: Base-Base interactions energy: -29.802 where: short stacking energy: -25.358 Base-Backbone interact. energy: -0.706 local terms energy: -29.970423 where: bonds (distance) C4'-P energy: -6.901 bonds (distance) P-C4' energy: -7.560 flat angles C4'-P-C4' energy: -6.281 flat angles P-C4'-P energy: -5.195 tors. eta vs tors. theta energy: -4.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -84.062297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.062297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.062297 (E_RNA) where: Base-Base interactions energy: -44.097 where: short stacking energy: -32.012 Base-Backbone interact. energy: -0.002 local terms energy: -39.963166 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -7.946 flat angles P-C4'-P energy: -7.069 tors. eta vs tors. theta energy: -7.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -63.228409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.228409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.228409 (E_RNA) where: Base-Base interactions energy: -29.872 where: short stacking energy: -29.872 Base-Backbone interact. energy: -0.000 local terms energy: -33.356367 where: bonds (distance) C4'-P energy: -5.183 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -9.264 flat angles P-C4'-P energy: -3.405 tors. eta vs tors. theta energy: -7.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -63.131788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.131788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.131788 (E_RNA) where: Base-Base interactions energy: -37.651 where: short stacking energy: -14.513 Base-Backbone interact. energy: -0.163 local terms energy: -25.318000 where: bonds (distance) C4'-P energy: -6.566 bonds (distance) P-C4' energy: -5.647 flat angles C4'-P-C4' energy: -5.805 flat angles P-C4'-P energy: -4.693 tors. eta vs tors. theta energy: -2.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -53.503313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.503313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.503313 (E_RNA) where: Base-Base interactions energy: -21.994 where: short stacking energy: -18.353 Base-Backbone interact. energy: -0.000 local terms energy: -31.509334 where: bonds (distance) C4'-P energy: -6.752 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -8.446 flat angles P-C4'-P energy: -4.631 tors. eta vs tors. theta energy: -3.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -53.431009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.431009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.431009 (E_RNA) where: Base-Base interactions energy: -22.506 where: short stacking energy: -22.041 Base-Backbone interact. energy: -0.080 local terms energy: -30.845033 where: bonds (distance) C4'-P energy: -5.618 bonds (distance) P-C4' energy: -7.425 flat angles C4'-P-C4' energy: -7.724 flat angles P-C4'-P energy: -3.770 tors. eta vs tors. theta energy: -6.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -44.204750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.204750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.204750 (E_RNA) where: Base-Base interactions energy: -15.355 where: short stacking energy: -12.982 Base-Backbone interact. energy: 1.353 local terms energy: -30.203408 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -8.756 flat angles P-C4'-P energy: -3.924 tors. eta vs tors. theta energy: -2.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -47.198651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.198651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.198651 (E_RNA) where: Base-Base interactions energy: -21.071 where: short stacking energy: -10.394 Base-Backbone interact. energy: -0.098 local terms energy: -26.029939 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -3.358 flat angles P-C4'-P energy: -5.999 tors. eta vs tors. theta energy: -0.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -43.135752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.135752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.135752 (E_RNA) where: Base-Base interactions energy: -14.923 where: short stacking energy: -14.923 Base-Backbone interact. energy: -0.018 local terms energy: -28.194730 where: bonds (distance) C4'-P energy: -6.189 bonds (distance) P-C4' energy: -7.882 flat angles C4'-P-C4' energy: -4.823 flat angles P-C4'-P energy: -6.469 tors. eta vs tors. theta energy: -2.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -39.175125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.175125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.175125 (E_RNA) where: Base-Base interactions energy: -10.596 where: short stacking energy: -10.596 Base-Backbone interact. energy: -0.078 local terms energy: -28.501400 where: bonds (distance) C4'-P energy: -6.329 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.437 flat angles P-C4'-P energy: -4.288 tors. eta vs tors. theta energy: -2.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -72.497209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.497209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.497209 (E_RNA) where: Base-Base interactions energy: -36.941 where: short stacking energy: -22.097 Base-Backbone interact. energy: -0.025 local terms energy: -35.530916 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.963 flat angles P-C4'-P energy: -6.356 tors. eta vs tors. theta energy: -5.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -61.392596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.392596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.392596 (E_RNA) where: Base-Base interactions energy: -33.185 where: short stacking energy: -17.983 Base-Backbone interact. energy: -0.306 local terms energy: -27.900968 where: bonds (distance) C4'-P energy: -6.276 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.560 flat angles P-C4'-P energy: -3.587 tors. eta vs tors. theta energy: -2.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -61.201790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.201790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.201790 (E_RNA) where: Base-Base interactions energy: -23.355 where: short stacking energy: -23.355 Base-Backbone interact. energy: -0.000 local terms energy: -37.847196 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.767 flat angles P-C4'-P energy: -5.053 tors. eta vs tors. theta energy: -8.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -52.534774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.534774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.534774 (E_RNA) where: Base-Base interactions energy: -21.702 where: short stacking energy: -21.702 Base-Backbone interact. energy: -0.059 local terms energy: -30.773873 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -8.569 flat angles C4'-P-C4' energy: -8.557 flat angles P-C4'-P energy: -3.268 tors. eta vs tors. theta energy: -5.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -50.062202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.062202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.062202 (E_RNA) where: Base-Base interactions energy: -18.731 where: short stacking energy: -15.394 Base-Backbone interact. energy: -0.133 local terms energy: -31.197321 where: bonds (distance) C4'-P energy: -6.934 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -7.798 flat angles P-C4'-P energy: -6.241 tors. eta vs tors. theta energy: -2.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -47.797976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.797976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.797976 (E_RNA) where: Base-Base interactions energy: -17.639 where: short stacking energy: -17.639 Base-Backbone interact. energy: -0.005 local terms energy: -30.153655 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -4.798 flat angles P-C4'-P energy: -4.321 tors. eta vs tors. theta energy: -2.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -46.399198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.399198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.399198 (E_RNA) where: Base-Base interactions energy: -17.328 where: short stacking energy: -15.200 Base-Backbone interact. energy: -0.266 local terms energy: -28.804973 where: bonds (distance) C4'-P energy: -4.910 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -7.136 flat angles P-C4'-P energy: -4.433 tors. eta vs tors. theta energy: -2.773 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: 8 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -47.632133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.632133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.632133 (E_RNA) where: Base-Base interactions energy: -18.032 where: short stacking energy: -18.032 Base-Backbone interact. energy: -0.012 local terms energy: -29.587608 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -5.301 flat angles P-C4'-P energy: -3.888 tors. eta vs tors. theta energy: -3.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -42.366539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.366539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.366539 (E_RNA) where: Base-Base interactions energy: -14.193 where: short stacking energy: -14.193 Base-Backbone interact. energy: -0.167 local terms energy: -28.006409 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -8.514 flat angles C4'-P-C4' energy: -6.583 flat angles P-C4'-P energy: -4.308 tors. eta vs tors. theta energy: -1.200 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: 1 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -43.815711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.815711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.815711 (E_RNA) where: Base-Base interactions energy: -13.868 where: short stacking energy: -13.868 Base-Backbone interact. energy: -0.005 local terms energy: -29.942243 where: bonds (distance) C4'-P energy: -6.549 bonds (distance) P-C4' energy: -7.584 flat angles C4'-P-C4' energy: -6.394 flat angles P-C4'-P energy: -6.514 tors. eta vs tors. theta energy: -2.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -73.621575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.621575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.621575 (E_RNA) where: Base-Base interactions energy: -37.007 where: short stacking energy: -28.484 Base-Backbone interact. energy: -0.971 local terms energy: -35.643825 where: bonds (distance) C4'-P energy: -6.919 bonds (distance) P-C4' energy: -9.334 flat angles C4'-P-C4' energy: -6.832 flat angles P-C4'-P energy: -4.329 tors. eta vs tors. theta energy: -8.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -82.499141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.499141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.499141 (E_RNA) where: Base-Base interactions energy: -49.407 where: short stacking energy: -27.871 Base-Backbone interact. energy: 1.166 local terms energy: -34.258206 where: bonds (distance) C4'-P energy: -6.272 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -8.208 flat angles P-C4'-P energy: -6.476 tors. eta vs tors. theta energy: -4.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -63.177158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.177158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.177158 (E_RNA) where: Base-Base interactions energy: -24.548 where: short stacking energy: -24.548 Base-Backbone interact. energy: -0.026 local terms energy: -38.603430 where: bonds (distance) C4'-P energy: -8.665 bonds (distance) P-C4' energy: -7.791 flat angles C4'-P-C4' energy: -8.550 flat angles P-C4'-P energy: -6.264 tors. eta vs tors. theta energy: -7.335 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: 3 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -59.086343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.086343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.086343 (E_RNA) where: Base-Base interactions energy: -27.241 where: short stacking energy: -17.923 Base-Backbone interact. energy: -0.133 local terms energy: -31.712079 where: bonds (distance) C4'-P energy: -8.967 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -8.322 flat angles P-C4'-P energy: -6.249 tors. eta vs tors. theta energy: -1.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -49.878009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.878009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.878009 (E_RNA) where: Base-Base interactions energy: -20.844 where: short stacking energy: -20.844 Base-Backbone interact. energy: -0.000 local terms energy: -29.033348 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -6.950 flat angles C4'-P-C4' energy: -6.571 flat angles P-C4'-P energy: -4.774 tors. eta vs tors. theta energy: -3.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -47.731414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.731414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.731414 (E_RNA) where: Base-Base interactions energy: -18.774 where: short stacking energy: -18.539 Base-Backbone interact. energy: -0.032 local terms energy: -28.925021 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -5.814 tors. eta vs tors. theta energy: -0.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -48.046508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.046508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.046508 (E_RNA) where: Base-Base interactions energy: -21.791 where: short stacking energy: -11.393 Base-Backbone interact. energy: -0.004 local terms energy: -26.251318 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -8.111 flat angles P-C4'-P energy: -2.026 tors. eta vs tors. theta energy: 0.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -44.722722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.722722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.722722 (E_RNA) where: Base-Base interactions energy: -19.943 where: short stacking energy: -16.658 Base-Backbone interact. energy: -0.112 local terms energy: -24.668141 where: bonds (distance) C4'-P energy: -6.445 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -6.089 flat angles P-C4'-P energy: -3.818 tors. eta vs tors. theta energy: 0.532 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: 9, replica: 8 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -41.499843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.499843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.499843 (E_RNA) where: Base-Base interactions energy: -15.218 where: short stacking energy: -15.218 Base-Backbone interact. energy: -0.069 local terms energy: -26.213679 where: bonds (distance) C4'-P energy: -5.395 bonds (distance) P-C4' energy: -7.012 flat angles C4'-P-C4' energy: -7.332 flat angles P-C4'-P energy: -4.194 tors. eta vs tors. theta energy: -2.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -45.324083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.324083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.324083 (E_RNA) where: Base-Base interactions energy: -17.013 where: short stacking energy: -13.535 Base-Backbone interact. energy: -0.079 local terms energy: -28.231969 where: bonds (distance) C4'-P energy: -6.653 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.648 flat angles P-C4'-P energy: -4.070 tors. eta vs tors. theta energy: -1.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -78.502406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.502406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.502406 (E_RNA) where: Base-Base interactions energy: -44.407 where: short stacking energy: -27.857 Base-Backbone interact. energy: 0.236 local terms energy: -34.331785 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -5.625 flat angles C4'-P-C4' energy: -8.945 flat angles P-C4'-P energy: -3.653 tors. eta vs tors. theta energy: -8.396 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: 2, replica: 10 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -75.737321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.737321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.737321 (E_RNA) where: Base-Base interactions energy: -39.087 where: short stacking energy: -26.541 Base-Backbone interact. energy: -0.001 local terms energy: -36.649536 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -5.799 flat angles C4'-P-C4' energy: -8.421 flat angles P-C4'-P energy: -6.714 tors. eta vs tors. theta energy: -6.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -56.514543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.514543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.514543 (E_RNA) where: Base-Base interactions energy: -24.024 where: short stacking energy: -21.349 Base-Backbone interact. energy: -0.008 local terms energy: -32.483092 where: bonds (distance) C4'-P energy: -5.846 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -8.570 flat angles P-C4'-P energy: -6.367 tors. eta vs tors. theta energy: -4.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -57.927785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.927785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.927785 (E_RNA) where: Base-Base interactions energy: -25.500 where: short stacking energy: -20.059 Base-Backbone interact. energy: -0.000 local terms energy: -32.427123 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -8.419 flat angles P-C4'-P energy: -2.068 tors. eta vs tors. theta energy: -5.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -54.104710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.104710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.104710 (E_RNA) where: Base-Base interactions energy: -21.374 where: short stacking energy: -21.374 Base-Backbone interact. energy: -0.040 local terms energy: -32.690726 where: bonds (distance) C4'-P energy: -5.224 bonds (distance) P-C4' energy: -8.837 flat angles C4'-P-C4' energy: -9.054 flat angles P-C4'-P energy: -4.693 tors. eta vs tors. theta energy: -4.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -47.076406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.076406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.076406 (E_RNA) where: Base-Base interactions energy: -18.875 where: short stacking energy: -15.979 Base-Backbone interact. energy: -0.008 local terms energy: -28.193349 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -6.421 flat angles C4'-P-C4' energy: -6.587 flat angles P-C4'-P energy: -4.381 tors. eta vs tors. theta energy: -2.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -53.252583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.252583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.252583 (E_RNA) where: Base-Base interactions energy: -25.529 where: short stacking energy: -24.361 Base-Backbone interact. energy: -0.007 local terms energy: -27.716291 where: bonds (distance) C4'-P energy: -6.561 bonds (distance) P-C4' energy: -8.563 flat angles C4'-P-C4' energy: -4.258 flat angles P-C4'-P energy: -2.980 tors. eta vs tors. theta energy: -5.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -41.812905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.812905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.812905 (E_RNA) where: Base-Base interactions energy: -10.874 where: short stacking energy: -8.476 Base-Backbone interact. energy: -0.403 local terms energy: -30.535758 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -8.406 flat angles P-C4'-P energy: -6.743 tors. eta vs tors. theta energy: -1.999 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: 9, replica: 1 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -42.353895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.353895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.353895 (E_RNA) where: Base-Base interactions energy: -13.680 where: short stacking energy: -13.680 Base-Backbone interact. energy: -0.002 local terms energy: -28.672458 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -4.808 flat angles C4'-P-C4' energy: -6.654 flat angles P-C4'-P energy: -5.952 tors. eta vs tors. theta energy: -3.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -43.974187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.974187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.974187 (E_RNA) where: Base-Base interactions energy: -17.941 where: short stacking energy: -14.214 Base-Backbone interact. energy: -0.006 local terms energy: -26.027557 where: bonds (distance) C4'-P energy: -7.593 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.521 flat angles P-C4'-P energy: -3.329 tors. eta vs tors. theta energy: -0.264 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: 295 Temperature: 0.900000 Total energy: -73.448160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.448160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.448160 (E_RNA) where: Base-Base interactions energy: -36.042 where: short stacking energy: -30.568 Base-Backbone interact. energy: -0.001 local terms energy: -37.405410 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -7.525 flat angles P-C4'-P energy: -6.018 tors. eta vs tors. theta energy: -7.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -71.740539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.740539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.740539 (E_RNA) where: Base-Base interactions energy: -32.401 where: short stacking energy: -29.913 Base-Backbone interact. energy: -0.000 local terms energy: -39.339257 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.580 flat angles P-C4'-P energy: -6.548 tors. eta vs tors. theta energy: -8.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -74.745566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.745566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.745566 (E_RNA) where: Base-Base interactions energy: -39.358 where: short stacking energy: -26.042 Base-Backbone interact. energy: -0.000 local terms energy: -35.387805 where: bonds (distance) C4'-P energy: -4.380 bonds (distance) P-C4' energy: -6.571 flat angles C4'-P-C4' energy: -7.508 flat angles P-C4'-P energy: -6.749 tors. eta vs tors. theta energy: -10.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -59.585061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.585061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.585061 (E_RNA) where: Base-Base interactions energy: -25.252 where: short stacking energy: -20.191 Base-Backbone interact. energy: -0.123 local terms energy: -34.210424 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.870 flat angles P-C4'-P energy: -5.985 tors. eta vs tors. theta energy: -4.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -61.915358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.915358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.915358 (E_RNA) where: Base-Base interactions energy: -24.614 where: short stacking energy: -23.967 Base-Backbone interact. energy: -0.040 local terms energy: -37.261648 where: bonds (distance) C4'-P energy: -9.144 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -6.336 flat angles P-C4'-P energy: -7.019 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: 6, replica: 2 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -51.401788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.401788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.401788 (E_RNA) where: Base-Base interactions energy: -24.821 where: short stacking energy: -17.988 Base-Backbone interact. energy: -0.071 local terms energy: -26.509772 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -6.734 flat angles C4'-P-C4' energy: -7.797 flat angles P-C4'-P energy: -4.407 tors. eta vs tors. theta energy: -0.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -50.554099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.554099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.554099 (E_RNA) where: Base-Base interactions energy: -24.035 where: short stacking energy: -19.453 Base-Backbone interact. energy: -0.002 local terms energy: -26.517192 where: bonds (distance) C4'-P energy: -6.574 bonds (distance) P-C4' energy: -5.452 flat angles C4'-P-C4' energy: -5.342 flat angles P-C4'-P energy: -4.748 tors. eta vs tors. theta energy: -4.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -43.842488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.842488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.842488 (E_RNA) where: Base-Base interactions energy: -15.221 where: short stacking energy: -15.221 Base-Backbone interact. energy: -0.051 local terms energy: -28.570398 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -8.757 flat angles P-C4'-P energy: -6.233 tors. eta vs tors. theta energy: -1.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -36.539658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.539658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.539658 (E_RNA) where: Base-Base interactions energy: -11.425 where: short stacking energy: -11.425 Base-Backbone interact. energy: -0.025 local terms energy: -25.089637 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -9.028 flat angles C4'-P-C4' energy: -6.884 flat angles P-C4'-P energy: -2.929 tors. eta vs tors. theta energy: 1.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -39.142691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.142691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.142691 (E_RNA) where: Base-Base interactions energy: -14.100 where: short stacking energy: -14.100 Base-Backbone interact. energy: -0.051 local terms energy: -24.991252 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -5.070 flat angles C4'-P-C4' energy: -5.659 flat angles P-C4'-P energy: -3.290 tors. eta vs tors. theta energy: -3.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -75.388078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.388078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.388078 (E_RNA) where: Base-Base interactions energy: -42.375 where: short stacking energy: -24.057 Base-Backbone interact. energy: -0.033 local terms energy: -32.980437 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -6.143 flat angles P-C4'-P energy: -5.661 tors. eta vs tors. theta energy: -4.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -62.744111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.744111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.744111 (E_RNA) where: Base-Base interactions energy: -26.512 where: short stacking energy: -26.512 Base-Backbone interact. energy: -0.004 local terms energy: -36.228264 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -6.645 flat angles P-C4'-P energy: -4.703 tors. eta vs tors. theta energy: -7.421 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: 3, replica: 5 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -57.454108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.454108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.454108 (E_RNA) where: Base-Base interactions energy: -29.675 where: short stacking energy: -14.883 Base-Backbone interact. energy: -0.100 local terms energy: -27.679823 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -5.632 flat angles P-C4'-P energy: -5.641 tors. eta vs tors. theta energy: -0.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -64.063533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.063533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.063533 (E_RNA) where: Base-Base interactions energy: -26.490 where: short stacking energy: -26.490 Base-Backbone interact. energy: -0.000 local terms energy: -37.573806 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -8.854 flat angles P-C4'-P energy: -5.883 tors. eta vs tors. theta energy: -9.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -52.000861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.000861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.000861 (E_RNA) where: Base-Base interactions energy: -19.927 where: short stacking energy: -19.927 Base-Backbone interact. energy: -0.000 local terms energy: -32.073379 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.019 flat angles P-C4'-P energy: -3.100 tors. eta vs tors. theta energy: -4.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -57.509077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.509077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.509077 (E_RNA) where: Base-Base interactions energy: -25.061 where: short stacking energy: -25.061 Base-Backbone interact. energy: -0.000 local terms energy: -32.447303 where: bonds (distance) C4'-P energy: -6.176 bonds (distance) P-C4' energy: -7.643 flat angles C4'-P-C4' energy: -6.855 flat angles P-C4'-P energy: -6.244 tors. eta vs tors. theta energy: -5.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -40.647137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.647137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.647137 (E_RNA) where: Base-Base interactions energy: -15.168 where: short stacking energy: -13.586 Base-Backbone interact. energy: -0.046 local terms energy: -25.433088 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -6.936 flat angles C4'-P-C4' energy: -3.784 flat angles P-C4'-P energy: -4.278 tors. eta vs tors. theta energy: -1.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -43.090681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.090681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.090681 (E_RNA) where: Base-Base interactions energy: -17.360 where: short stacking energy: -17.360 Base-Backbone interact. energy: -0.013 local terms energy: -25.718415 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -4.907 flat angles P-C4'-P energy: -6.566 tors. eta vs tors. theta energy: -1.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -43.375097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.375097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.375097 (E_RNA) where: Base-Base interactions energy: -13.264 where: short stacking energy: -13.264 Base-Backbone interact. energy: -0.001 local terms energy: -30.111012 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.722 flat angles P-C4'-P energy: -2.814 tors. eta vs tors. theta energy: -4.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -37.301950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.301950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.301950 (E_RNA) where: Base-Base interactions energy: -11.864 where: short stacking energy: -11.864 Base-Backbone interact. energy: -0.196 local terms energy: -25.242212 where: bonds (distance) C4'-P energy: -6.176 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -7.422 flat angles P-C4'-P energy: -2.394 tors. eta vs tors. theta energy: -1.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -64.949686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.949686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.949686 (E_RNA) where: Base-Base interactions energy: -27.618 where: short stacking energy: -21.434 Base-Backbone interact. energy: -0.053 local terms energy: -37.278688 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -7.209 flat angles P-C4'-P energy: -6.609 tors. eta vs tors. theta energy: -5.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -67.756931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.756931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.756931 (E_RNA) where: Base-Base interactions energy: -34.673 where: short stacking energy: -29.748 Base-Backbone interact. energy: -0.514 local terms energy: -32.570534 where: bonds (distance) C4'-P energy: -5.829 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -7.574 flat angles P-C4'-P energy: -4.616 tors. eta vs tors. theta energy: -7.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -53.655642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.655642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.655642 (E_RNA) where: Base-Base interactions energy: -20.508 where: short stacking energy: -19.242 Base-Backbone interact. energy: -0.043 local terms energy: -33.104761 where: bonds (distance) C4'-P energy: -8.299 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -6.571 flat angles P-C4'-P energy: -3.884 tors. eta vs tors. theta energy: -5.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -54.554468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.554468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.554468 (E_RNA) where: Base-Base interactions energy: -21.004 where: short stacking energy: -21.004 Base-Backbone interact. energy: -0.036 local terms energy: -33.514410 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -7.082 flat angles P-C4'-P energy: -6.744 tors. eta vs tors. theta energy: -4.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -50.352520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.352520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.352520 (E_RNA) where: Base-Base interactions energy: -18.125 where: short stacking energy: -14.554 Base-Backbone interact. energy: -0.032 local terms energy: -32.195753 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -7.263 flat angles C4'-P-C4' energy: -7.873 flat angles P-C4'-P energy: -4.622 tors. eta vs tors. theta energy: -4.514 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: 6, replica: 9 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -56.530072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.530072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.530072 (E_RNA) where: Base-Base interactions energy: -25.752 where: short stacking energy: -24.231 Base-Backbone interact. energy: -0.001 local terms energy: -30.777395 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -8.352 flat angles C4'-P-C4' energy: -7.046 flat angles P-C4'-P energy: 0.469 tors. eta vs tors. theta energy: -8.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -48.107786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.107786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.107786 (E_RNA) where: Base-Base interactions energy: -16.709 where: short stacking energy: -14.546 Base-Backbone interact. energy: -0.045 local terms energy: -31.354080 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -3.818 flat angles C4'-P-C4' energy: -7.179 flat angles P-C4'-P energy: -6.434 tors. eta vs tors. theta energy: -5.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -45.345492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.345492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.345492 (E_RNA) where: Base-Base interactions energy: -17.872 where: short stacking energy: -17.872 Base-Backbone interact. energy: -0.023 local terms energy: -27.450658 where: bonds (distance) C4'-P energy: -5.883 bonds (distance) P-C4' energy: -5.894 flat angles C4'-P-C4' energy: -8.162 flat angles P-C4'-P energy: -4.463 tors. eta vs tors. theta energy: -3.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -43.666028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.666028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.666028 (E_RNA) where: Base-Base interactions energy: -16.237 where: short stacking energy: -16.237 Base-Backbone interact. energy: -0.001 local terms energy: -27.427856 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -7.463 flat angles C4'-P-C4' energy: -6.784 flat angles P-C4'-P energy: -4.302 tors. eta vs tors. theta energy: -1.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -38.816505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.816505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.816505 (E_RNA) where: Base-Base interactions energy: -10.447 where: short stacking energy: -10.447 Base-Backbone interact. energy: -0.021 local terms energy: -28.349164 where: bonds (distance) C4'-P energy: -7.626 bonds (distance) P-C4' energy: -8.625 flat angles C4'-P-C4' energy: -6.934 flat angles P-C4'-P energy: -4.299 tors. eta vs tors. theta energy: -0.865 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: 5 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -66.972199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.972199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.972199 (E_RNA) where: Base-Base interactions energy: -30.068 where: short stacking energy: -30.068 Base-Backbone interact. energy: -0.000 local terms energy: -36.904174 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -9.804 flat angles C4'-P-C4' energy: -8.603 flat angles P-C4'-P energy: -3.885 tors. eta vs tors. theta energy: -6.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -60.855608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.855608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.855608 (E_RNA) where: Base-Base interactions energy: -24.584 where: short stacking energy: -23.976 Base-Backbone interact. energy: -0.004 local terms energy: -36.267426 where: bonds (distance) C4'-P energy: -6.851 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -6.749 flat angles P-C4'-P energy: -5.346 tors. eta vs tors. theta energy: -8.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -65.331424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.331424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.331424 (E_RNA) where: Base-Base interactions energy: -29.968 where: short stacking energy: -29.968 Base-Backbone interact. energy: -0.000 local terms energy: -35.362988 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -6.704 flat angles P-C4'-P energy: -5.138 tors. eta vs tors. theta energy: -8.352 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: 6 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -54.861455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.861455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.861455 (E_RNA) where: Base-Base interactions energy: -24.129 where: short stacking energy: -19.369 Base-Backbone interact. energy: -0.187 local terms energy: -30.544994 where: bonds (distance) C4'-P energy: -7.446 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -6.745 flat angles P-C4'-P energy: -4.999 tors. eta vs tors. theta energy: -2.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -53.037027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.037027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.037027 (E_RNA) where: Base-Base interactions energy: -26.340 where: short stacking energy: -16.402 Base-Backbone interact. energy: -0.000 local terms energy: -26.696621 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -5.862 flat angles C4'-P-C4' energy: -6.621 flat angles P-C4'-P energy: -4.456 tors. eta vs tors. theta energy: -2.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -41.389194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.389194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.389194 (E_RNA) where: Base-Base interactions energy: -16.268 where: short stacking energy: -16.026 Base-Backbone interact. energy: 0.344 local terms energy: -25.464723 where: bonds (distance) C4'-P energy: -6.400 bonds (distance) P-C4' energy: -7.572 flat angles C4'-P-C4' energy: -5.563 flat angles P-C4'-P energy: -4.392 tors. eta vs tors. theta energy: -1.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -47.593853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.593853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.593853 (E_RNA) where: Base-Base interactions energy: -19.347 where: short stacking energy: -14.054 Base-Backbone interact. energy: -0.039 local terms energy: -28.207983 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -7.492 flat angles C4'-P-C4' energy: -7.017 flat angles P-C4'-P energy: -3.347 tors. eta vs tors. theta energy: -2.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -53.070109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.070109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.070109 (E_RNA) where: Base-Base interactions energy: -24.907 where: short stacking energy: -17.316 Base-Backbone interact. energy: -0.014 local terms energy: -28.148876 where: bonds (distance) C4'-P energy: -8.002 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -5.438 flat angles P-C4'-P energy: -2.828 tors. eta vs tors. theta energy: -4.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -43.849037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.849037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.849037 (E_RNA) where: Base-Base interactions energy: -16.521 where: short stacking energy: -14.581 Base-Backbone interact. energy: -0.007 local terms energy: -27.320791 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -5.771 flat angles C4'-P-C4' energy: -8.702 flat angles P-C4'-P energy: -5.058 tors. eta vs tors. theta energy: -3.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -44.884143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.884143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.884143 (E_RNA) where: Base-Base interactions energy: -14.749 where: short stacking energy: -14.749 Base-Backbone interact. energy: -0.008 local terms energy: -30.127934 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -7.731 flat angles C4'-P-C4' energy: -6.948 flat angles P-C4'-P energy: -4.170 tors. eta vs tors. theta energy: -3.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -60.642613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.642613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.642613 (E_RNA) where: Base-Base interactions energy: -27.015 where: short stacking energy: -27.015 Base-Backbone interact. energy: -0.063 local terms energy: -33.564624 where: bonds (distance) C4'-P energy: -5.965 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.438 flat angles P-C4'-P energy: -3.253 tors. eta vs tors. theta energy: -6.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -61.189541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.189541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.189541 (E_RNA) where: Base-Base interactions energy: -27.258 where: short stacking energy: -22.278 Base-Backbone interact. energy: -0.004 local terms energy: -33.928176 where: bonds (distance) C4'-P energy: -5.551 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -6.351 flat angles P-C4'-P energy: -4.352 tors. eta vs tors. theta energy: -8.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -63.710363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.710363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.710363 (E_RNA) where: Base-Base interactions energy: -27.039 where: short stacking energy: -27.039 Base-Backbone interact. energy: -0.000 local terms energy: -36.671292 where: bonds (distance) C4'-P energy: -7.097 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -8.340 flat angles P-C4'-P energy: -2.505 tors. eta vs tors. theta energy: -8.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -59.799804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.799804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.799804 (E_RNA) where: Base-Base interactions energy: -27.289 where: short stacking energy: -27.289 Base-Backbone interact. energy: -0.038 local terms energy: -32.472224 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -7.578 flat angles C4'-P-C4' energy: -5.977 flat angles P-C4'-P energy: -5.114 tors. eta vs tors. theta energy: -5.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -47.237328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.237328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.237328 (E_RNA) where: Base-Base interactions energy: -18.132 where: short stacking energy: -18.132 Base-Backbone interact. energy: -0.022 local terms energy: -29.083711 where: bonds (distance) C4'-P energy: -6.773 bonds (distance) P-C4' energy: -6.379 flat angles C4'-P-C4' energy: -7.429 flat angles P-C4'-P energy: -5.000 tors. eta vs tors. theta energy: -3.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -53.041023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.041023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.041023 (E_RNA) where: Base-Base interactions energy: -21.111 where: short stacking energy: -21.211 Base-Backbone interact. energy: -0.000 local terms energy: -31.930431 where: bonds (distance) C4'-P energy: -7.345 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -9.364 flat angles P-C4'-P energy: -3.025 tors. eta vs tors. theta energy: -5.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -55.822851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.822851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.822851 (E_RNA) where: Base-Base interactions energy: -22.238 where: short stacking energy: -22.238 Base-Backbone interact. energy: -0.000 local terms energy: -33.584123 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.049 flat angles P-C4'-P energy: -5.774 tors. eta vs tors. theta energy: -5.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -47.772828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.772828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.772828 (E_RNA) where: Base-Base interactions energy: -21.192 where: short stacking energy: -21.192 Base-Backbone interact. energy: 1.560 local terms energy: -28.140946 where: bonds (distance) C4'-P energy: -6.545 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -1.178 flat angles P-C4'-P energy: -5.281 tors. eta vs tors. theta energy: -7.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -38.373099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.373099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.373099 (E_RNA) where: Base-Base interactions energy: -15.200 where: short stacking energy: -15.200 Base-Backbone interact. energy: -0.127 local terms energy: -23.046032 where: bonds (distance) C4'-P energy: -4.818 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -2.662 flat angles P-C4'-P energy: -5.674 tors. eta vs tors. theta energy: -0.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -37.039875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.039875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.039875 (E_RNA) where: Base-Base interactions energy: -8.700 where: short stacking energy: -8.700 Base-Backbone interact. energy: -0.002 local terms energy: -28.338254 where: bonds (distance) C4'-P energy: -6.612 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -7.883 flat angles P-C4'-P energy: -5.195 tors. eta vs tors. theta energy: -1.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -70.013015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.013015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.013015 (E_RNA) where: Base-Base interactions energy: -27.350 where: short stacking energy: -27.350 Base-Backbone interact. energy: -0.000 local terms energy: -42.662698 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -8.106 flat angles P-C4'-P energy: -6.757 tors. eta vs tors. theta energy: -9.647 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: 2, replica: 2 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -69.857317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.857317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.857317 (E_RNA) where: Base-Base interactions energy: -35.052 where: short stacking energy: -34.693 Base-Backbone interact. energy: -0.000 local terms energy: -34.805528 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -6.150 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -5.460 tors. eta vs tors. theta energy: -9.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -59.647025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.647025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.647025 (E_RNA) where: Base-Base interactions energy: -26.590 where: short stacking energy: -25.826 Base-Backbone interact. energy: -0.004 local terms energy: -33.052269 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -8.607 flat angles P-C4'-P energy: -2.368 tors. eta vs tors. theta energy: -6.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -47.412728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.412728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.412728 (E_RNA) where: Base-Base interactions energy: -17.487 where: short stacking energy: -16.954 Base-Backbone interact. energy: -0.307 local terms energy: -29.618799 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.850 flat angles P-C4'-P energy: -4.065 tors. eta vs tors. theta energy: -3.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -51.648575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.648575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.648575 (E_RNA) where: Base-Base interactions energy: -23.938 where: short stacking energy: -23.938 Base-Backbone interact. energy: -0.000 local terms energy: -27.710616 where: bonds (distance) C4'-P energy: -6.976 bonds (distance) P-C4' energy: -4.527 flat angles C4'-P-C4' energy: -7.565 flat angles P-C4'-P energy: -4.517 tors. eta vs tors. theta energy: -4.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -59.802228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.802228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.802228 (E_RNA) where: Base-Base interactions energy: -26.259 where: short stacking energy: -24.795 Base-Backbone interact. energy: -0.028 local terms energy: -33.515518 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -8.078 flat angles P-C4'-P energy: -4.917 tors. eta vs tors. theta energy: -6.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -62.699057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.699057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.699057 (E_RNA) where: Base-Base interactions energy: -30.655 where: short stacking energy: -20.955 Base-Backbone interact. energy: -0.004 local terms energy: -32.040683 where: bonds (distance) C4'-P energy: -5.291 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -7.125 flat angles P-C4'-P energy: -1.471 tors. eta vs tors. theta energy: -8.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -44.265311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.265311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.265311 (E_RNA) where: Base-Base interactions energy: -15.323 where: short stacking energy: -15.323 Base-Backbone interact. energy: -0.142 local terms energy: -28.801200 where: bonds (distance) C4'-P energy: -5.981 bonds (distance) P-C4' energy: -9.137 flat angles C4'-P-C4' energy: -9.019 flat angles P-C4'-P energy: -2.780 tors. eta vs tors. theta energy: -1.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -51.291626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.291626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.291626 (E_RNA) where: Base-Base interactions energy: -24.908 where: short stacking energy: -24.908 Base-Backbone interact. energy: -0.001 local terms energy: -26.382391 where: bonds (distance) C4'-P energy: -1.577 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -5.819 flat angles P-C4'-P energy: -5.124 tors. eta vs tors. theta energy: -7.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -55.636601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.636601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.636601 (E_RNA) where: Base-Base interactions energy: -26.307 where: short stacking energy: -24.112 Base-Backbone interact. energy: -0.080 local terms energy: -29.249182 where: bonds (distance) C4'-P energy: -6.132 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -3.396 flat angles P-C4'-P energy: -7.805 tors. eta vs tors. theta energy: -6.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -62.415402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.415402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.415402 (E_RNA) where: Base-Base interactions energy: -28.728 where: short stacking energy: -28.728 Base-Backbone interact. energy: -0.099 local terms energy: -33.588823 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -6.753 flat angles P-C4'-P energy: -6.519 tors. eta vs tors. theta energy: -5.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -63.731548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.731548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.731548 (E_RNA) where: Base-Base interactions energy: -26.943 where: short stacking energy: -26.943 Base-Backbone interact. energy: -0.000 local terms energy: -36.788263 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -7.205 flat angles P-C4'-P energy: -4.962 tors. eta vs tors. theta energy: -8.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -64.468892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.468892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.468892 (E_RNA) where: Base-Base interactions energy: -35.013 where: short stacking energy: -24.471 Base-Backbone interact. energy: -0.017 local terms energy: -29.439633 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -7.367 flat angles C4'-P-C4' energy: -5.264 flat angles P-C4'-P energy: -2.527 tors. eta vs tors. theta energy: -5.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -55.314724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.314724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.314724 (E_RNA) where: Base-Base interactions energy: -22.427 where: short stacking energy: -21.260 Base-Backbone interact. energy: -0.000 local terms energy: -32.887510 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.209 flat angles P-C4'-P energy: -4.770 tors. eta vs tors. theta energy: -4.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -51.623593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.623593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.623593 (E_RNA) where: Base-Base interactions energy: -23.086 where: short stacking energy: -23.086 Base-Backbone interact. energy: -0.000 local terms energy: -28.537400 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -2.983 flat angles P-C4'-P energy: -4.283 tors. eta vs tors. theta energy: -4.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -51.964282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.964282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.964282 (E_RNA) where: Base-Base interactions energy: -19.403 where: short stacking energy: -19.177 Base-Backbone interact. energy: -0.000 local terms energy: -32.561586 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.133 flat angles P-C4'-P energy: -3.971 tors. eta vs tors. theta energy: -3.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -50.934988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.934988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.934988 (E_RNA) where: Base-Base interactions energy: -24.679 where: short stacking energy: -16.079 Base-Backbone interact. energy: -0.001 local terms energy: -26.254315 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -6.971 flat angles C4'-P-C4' energy: -5.167 flat angles P-C4'-P energy: -2.128 tors. eta vs tors. theta energy: -3.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -48.623538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.623538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.623538 (E_RNA) where: Base-Base interactions energy: -19.024 where: short stacking energy: -18.547 Base-Backbone interact. energy: -0.032 local terms energy: -29.567881 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -8.582 flat angles C4'-P-C4' energy: -8.886 flat angles P-C4'-P energy: -2.822 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: 9, replica: 10 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -42.406866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.406866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.406866 (E_RNA) where: Base-Base interactions energy: -14.452 where: short stacking energy: -14.452 Base-Backbone interact. energy: -0.599 local terms energy: -27.356429 where: bonds (distance) C4'-P energy: -7.328 bonds (distance) P-C4' energy: -6.475 flat angles C4'-P-C4' energy: -7.986 flat angles P-C4'-P energy: -4.487 tors. eta vs tors. theta energy: -1.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -42.696032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.696032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.696032 (E_RNA) where: Base-Base interactions energy: -11.239 where: short stacking energy: -9.209 Base-Backbone interact. energy: -0.025 local terms energy: -31.431822 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -6.746 flat angles P-C4'-P energy: -5.487 tors. eta vs tors. theta energy: -3.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -65.475670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.475670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.475670 (E_RNA) where: Base-Base interactions energy: -28.386 where: short stacking energy: -28.386 Base-Backbone interact. energy: -0.000 local terms energy: -37.089678 where: bonds (distance) C4'-P energy: -6.681 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -8.393 flat angles P-C4'-P energy: -4.788 tors. eta vs tors. theta energy: -8.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -61.537412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.537412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.537412 (E_RNA) where: Base-Base interactions energy: -25.935 where: short stacking energy: -18.726 Base-Backbone interact. energy: -0.038 local terms energy: -35.564272 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.437 flat angles C4'-P-C4' energy: -8.815 flat angles P-C4'-P energy: -7.674 tors. eta vs tors. theta energy: -2.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -56.765092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.765092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.765092 (E_RNA) where: Base-Base interactions energy: -22.651 where: short stacking energy: -22.651 Base-Backbone interact. energy: -0.006 local terms energy: -34.108573 where: bonds (distance) C4'-P energy: -5.386 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -8.533 flat angles P-C4'-P energy: -6.390 tors. eta vs tors. theta energy: -4.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -62.498441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.498441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.498441 (E_RNA) where: Base-Base interactions energy: -31.601 where: short stacking energy: -23.236 Base-Backbone interact. energy: -0.000 local terms energy: -30.896749 where: bonds (distance) C4'-P energy: -6.255 bonds (distance) P-C4' energy: -7.396 flat angles C4'-P-C4' energy: -6.873 flat angles P-C4'-P energy: -5.194 tors. eta vs tors. theta energy: -5.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -51.910330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.910330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.910330 (E_RNA) where: Base-Base interactions energy: -17.525 where: short stacking energy: -17.525 Base-Backbone interact. energy: 0.985 local terms energy: -35.370522 where: bonds (distance) C4'-P energy: -7.614 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -6.904 flat angles P-C4'-P energy: -6.796 tors. eta vs tors. theta energy: -6.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -54.059151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.059151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.059151 (E_RNA) where: Base-Base interactions energy: -21.589 where: short stacking energy: -14.086 Base-Backbone interact. energy: -0.514 local terms energy: -31.956033 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -8.109 flat angles P-C4'-P energy: -3.846 tors. eta vs tors. theta energy: -4.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -50.856483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.856483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.856483 (E_RNA) where: Base-Base interactions energy: -17.092 where: short stacking energy: -17.092 Base-Backbone interact. energy: 0.071 local terms energy: -33.835550 where: bonds (distance) C4'-P energy: -6.814 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -8.997 flat angles P-C4'-P energy: -5.052 tors. eta vs tors. theta energy: -4.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -43.389890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.389890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.389890 (E_RNA) where: Base-Base interactions energy: -17.816 where: short stacking energy: -15.971 Base-Backbone interact. energy: -0.014 local terms energy: -25.559562 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -4.801 flat angles C4'-P-C4' energy: -4.319 flat angles P-C4'-P energy: -4.693 tors. eta vs tors. theta energy: -4.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -41.047924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.047924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.047924 (E_RNA) where: Base-Base interactions energy: -15.740 where: short stacking energy: -11.667 Base-Backbone interact. energy: -0.116 local terms energy: -25.191762 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -6.309 flat angles C4'-P-C4' energy: -7.630 flat angles P-C4'-P energy: -2.489 tors. eta vs tors. theta energy: -1.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -44.977931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.977931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.977931 (E_RNA) where: Base-Base interactions energy: -20.353 where: short stacking energy: -20.115 Base-Backbone interact. energy: -0.024 local terms energy: -24.600803 where: bonds (distance) C4'-P energy: -5.265 bonds (distance) P-C4' energy: -3.723 flat angles C4'-P-C4' energy: -7.471 flat angles P-C4'-P energy: -4.003 tors. eta vs tors. theta energy: -4.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -66.285474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.285474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.285474 (E_RNA) where: Base-Base interactions energy: -32.114 where: short stacking energy: -27.091 Base-Backbone interact. energy: -0.094 local terms energy: -34.077443 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -7.062 flat angles C4'-P-C4' energy: -6.751 flat angles P-C4'-P energy: -3.999 tors. eta vs tors. theta energy: -7.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -65.616709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.616709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.616709 (E_RNA) where: Base-Base interactions energy: -27.446 where: short stacking energy: -27.446 Base-Backbone interact. energy: 0.029 local terms energy: -38.198828 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -8.846 flat angles P-C4'-P energy: -4.898 tors. eta vs tors. theta energy: -6.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -63.047833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.047833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.047833 (E_RNA) where: Base-Base interactions energy: -27.233 where: short stacking energy: -27.233 Base-Backbone interact. energy: -0.000 local terms energy: -35.815065 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -8.218 flat angles P-C4'-P energy: -2.707 tors. eta vs tors. theta energy: -7.851 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: 4, replica: 7 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -60.026402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.026402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.026402 (E_RNA) where: Base-Base interactions energy: -26.126 where: short stacking energy: -26.126 Base-Backbone interact. energy: -0.000 local terms energy: -33.899955 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.859 flat angles P-C4'-P energy: -3.517 tors. eta vs tors. theta energy: -8.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -56.313059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.313059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.313059 (E_RNA) where: Base-Base interactions energy: -24.395 where: short stacking energy: -8.098 Base-Backbone interact. energy: -0.286 local terms energy: -31.631950 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.818 flat angles P-C4'-P energy: -7.349 tors. eta vs tors. theta energy: -0.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -55.498020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.498020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.498020 (E_RNA) where: Base-Base interactions energy: -26.954 where: short stacking energy: -16.836 Base-Backbone interact. energy: 1.233 local terms energy: -29.777948 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.344 flat angles P-C4'-P energy: -4.375 tors. eta vs tors. theta energy: -2.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -46.584874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.584874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.584874 (E_RNA) where: Base-Base interactions energy: -19.068 where: short stacking energy: -19.068 Base-Backbone interact. energy: -0.004 local terms energy: -27.512398 where: bonds (distance) C4'-P energy: -5.943 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.485 flat angles P-C4'-P energy: -4.660 tors. eta vs tors. theta energy: -0.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -46.682512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.682512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.682512 (E_RNA) where: Base-Base interactions energy: -21.142 where: short stacking energy: -17.106 Base-Backbone interact. energy: -0.005 local terms energy: -25.535229 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -5.509 flat angles P-C4'-P energy: -2.579 tors. eta vs tors. theta energy: -2.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -43.134705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.134705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.134705 (E_RNA) where: Base-Base interactions energy: -16.850 where: short stacking energy: -16.850 Base-Backbone interact. energy: -0.443 local terms energy: -25.841919 where: bonds (distance) C4'-P energy: -6.488 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.103 flat angles P-C4'-P energy: 0.045 tors. eta vs tors. theta energy: -3.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -41.487249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.487249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.487249 (E_RNA) where: Base-Base interactions energy: -15.255 where: short stacking energy: -15.255 Base-Backbone interact. energy: -0.011 local terms energy: -26.221782 where: bonds (distance) C4'-P energy: -2.802 bonds (distance) P-C4' energy: -8.091 flat angles C4'-P-C4' energy: -6.346 flat angles P-C4'-P energy: -6.433 tors. eta vs tors. theta energy: -2.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -70.043594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.043594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.043594 (E_RNA) where: Base-Base interactions energy: -34.067 where: short stacking energy: -33.601 Base-Backbone interact. energy: -0.087 local terms energy: -35.889434 where: bonds (distance) C4'-P energy: -6.681 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -7.202 flat angles P-C4'-P energy: -6.243 tors. eta vs tors. theta energy: -7.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -68.976383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.976383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.976383 (E_RNA) where: Base-Base interactions energy: -39.113 where: short stacking energy: -20.768 Base-Backbone interact. energy: -0.001 local terms energy: -29.863227 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -7.689 flat angles P-C4'-P energy: -2.324 tors. eta vs tors. theta energy: -4.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -63.341269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.341269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.341269 (E_RNA) where: Base-Base interactions energy: -28.376 where: short stacking energy: -28.376 Base-Backbone interact. energy: -0.000 local terms energy: -34.964609 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.804 flat angles P-C4'-P energy: -6.936 tors. eta vs tors. theta energy: -4.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -60.821283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.821283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.821283 (E_RNA) where: Base-Base interactions energy: -26.035 where: short stacking energy: -26.035 Base-Backbone interact. energy: -0.000 local terms energy: -34.785450 where: bonds (distance) C4'-P energy: -7.695 bonds (distance) P-C4' energy: -8.382 flat angles C4'-P-C4' energy: -5.961 flat angles P-C4'-P energy: -5.964 tors. eta vs tors. theta energy: -6.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -53.043854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.043854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.043854 (E_RNA) where: Base-Base interactions energy: -23.232 where: short stacking energy: -13.792 Base-Backbone interact. energy: 3.042 local terms energy: -32.853649 where: bonds (distance) C4'-P energy: -5.534 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -8.204 flat angles P-C4'-P energy: -6.124 tors. eta vs tors. theta energy: -4.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -48.703128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.703128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.703128 (E_RNA) where: Base-Base interactions energy: -19.670 where: short stacking energy: -15.724 Base-Backbone interact. energy: -0.112 local terms energy: -28.921782 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -7.677 flat angles P-C4'-P energy: -2.940 tors. eta vs tors. theta energy: -2.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -55.991011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.991011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.991011 (E_RNA) where: Base-Base interactions energy: -21.163 where: short stacking energy: -21.163 Base-Backbone interact. energy: -0.001 local terms energy: -34.827096 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -5.897 flat angles P-C4'-P energy: -6.387 tors. eta vs tors. theta energy: -5.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -48.522872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.522872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.522872 (E_RNA) where: Base-Base interactions energy: -20.374 where: short stacking energy: -20.374 Base-Backbone interact. energy: -0.081 local terms energy: -28.067550 where: bonds (distance) C4'-P energy: -6.689 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.881 flat angles P-C4'-P energy: -4.020 tors. eta vs tors. theta energy: -2.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -49.280220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.280220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.280220 (E_RNA) where: Base-Base interactions energy: -18.258 where: short stacking energy: -18.258 Base-Backbone interact. energy: -0.001 local terms energy: -31.020811 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -8.796 flat angles C4'-P-C4' energy: -7.498 flat angles P-C4'-P energy: -6.041 tors. eta vs tors. theta energy: -3.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -38.900757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.900757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.900757 (E_RNA) where: Base-Base interactions energy: -9.862 where: short stacking energy: -9.862 Base-Backbone interact. energy: -0.026 local terms energy: -29.012411 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -8.075 flat angles P-C4'-P energy: -3.144 tors. eta vs tors. theta energy: -2.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -62.964438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.964438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.964438 (E_RNA) where: Base-Base interactions energy: -34.439 where: short stacking energy: -22.491 Base-Backbone interact. energy: -0.370 local terms energy: -28.155692 where: bonds (distance) C4'-P energy: -6.313 bonds (distance) P-C4' energy: -7.498 flat angles C4'-P-C4' energy: -7.635 flat angles P-C4'-P energy: -4.076 tors. eta vs tors. theta energy: -2.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -63.627147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.627147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.627147 (E_RNA) where: Base-Base interactions energy: -34.805 where: short stacking energy: -22.587 Base-Backbone interact. energy: -0.045 local terms energy: -28.776896 where: bonds (distance) C4'-P energy: -4.976 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.879 flat angles P-C4'-P energy: -4.587 tors. eta vs tors. theta energy: -3.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -57.263374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.263374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.263374 (E_RNA) where: Base-Base interactions energy: -23.218 where: short stacking energy: -23.218 Base-Backbone interact. energy: -0.097 local terms energy: -33.948196 where: bonds (distance) C4'-P energy: -6.640 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -6.390 flat angles P-C4'-P energy: -6.739 tors. eta vs tors. theta energy: -4.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -55.484112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.484112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.484112 (E_RNA) where: Base-Base interactions energy: -25.368 where: short stacking energy: -25.368 Base-Backbone interact. energy: -0.000 local terms energy: -30.116218 where: bonds (distance) C4'-P energy: -6.333 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.463 flat angles P-C4'-P energy: -0.537 tors. eta vs tors. theta energy: -7.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -58.289113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.289113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.289113 (E_RNA) where: Base-Base interactions energy: -22.853 where: short stacking energy: -22.853 Base-Backbone interact. energy: -0.000 local terms energy: -35.436166 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.567 flat angles P-C4'-P energy: -4.108 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: 6, replica: 1 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -50.025552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.025552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.025552 (E_RNA) where: Base-Base interactions energy: -21.069 where: short stacking energy: -21.069 Base-Backbone interact. energy: -0.000 local terms energy: -28.955934 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -7.017 flat angles C4'-P-C4' energy: -3.265 flat angles P-C4'-P energy: -5.758 tors. eta vs tors. theta energy: -5.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -43.347745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.347745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.347745 (E_RNA) where: Base-Base interactions energy: -17.827 where: short stacking energy: -15.554 Base-Backbone interact. energy: -0.046 local terms energy: -25.474789 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -3.700 flat angles P-C4'-P energy: -3.978 tors. eta vs tors. theta energy: -2.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -46.015897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.015897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.015897 (E_RNA) where: Base-Base interactions energy: -18.019 where: short stacking energy: -18.019 Base-Backbone interact. energy: -0.087 local terms energy: -27.909751 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -4.698 flat angles P-C4'-P energy: -2.649 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: 10 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -48.432308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.432308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.432308 (E_RNA) where: Base-Base interactions energy: -18.977 where: short stacking energy: -18.977 Base-Backbone interact. energy: -0.061 local terms energy: -29.394126 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -7.616 flat angles P-C4'-P energy: -5.024 tors. eta vs tors. theta energy: -2.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -45.803455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.803455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.803455 (E_RNA) where: Base-Base interactions energy: -19.546 where: short stacking energy: -19.546 Base-Backbone interact. energy: -0.000 local terms energy: -26.257154 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.682 flat angles C4'-P-C4' energy: -4.965 flat angles P-C4'-P energy: -3.667 tors. eta vs tors. theta energy: -5.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -73.886685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.886685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.886685 (E_RNA) where: Base-Base interactions energy: -38.555 where: short stacking energy: -26.668 Base-Backbone interact. energy: -0.101 local terms energy: -35.230680 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.162 flat angles P-C4'-P energy: -4.321 tors. eta vs tors. theta energy: -6.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -66.576330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.576330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.576330 (E_RNA) where: Base-Base interactions energy: -30.368 where: short stacking energy: -21.587 Base-Backbone interact. energy: -0.005 local terms energy: -36.203863 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -7.764 flat angles P-C4'-P energy: -6.569 tors. eta vs tors. theta energy: -4.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -51.444099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.444099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.444099 (E_RNA) where: Base-Base interactions energy: -20.657 where: short stacking energy: -19.105 Base-Backbone interact. energy: -0.055 local terms energy: -30.731610 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -7.364 flat angles C4'-P-C4' energy: -8.297 flat angles P-C4'-P energy: -4.342 tors. eta vs tors. theta energy: -3.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -71.621446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.621446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.621446 (E_RNA) where: Base-Base interactions energy: -35.776 where: short stacking energy: -26.106 Base-Backbone interact. energy: -0.000 local terms energy: -35.845791 where: bonds (distance) C4'-P energy: -6.177 bonds (distance) P-C4' energy: -7.584 flat angles C4'-P-C4' energy: -7.027 flat angles P-C4'-P energy: -6.932 tors. eta vs tors. theta energy: -8.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -57.824276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.824276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.824276 (E_RNA) where: Base-Base interactions energy: -25.159 where: short stacking energy: -25.159 Base-Backbone interact. energy: -0.000 local terms energy: -32.665646 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -6.250 flat angles P-C4'-P energy: -4.873 tors. eta vs tors. theta energy: -7.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -47.408995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.408995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.408995 (E_RNA) where: Base-Base interactions energy: -21.511 where: short stacking energy: -15.591 Base-Backbone interact. energy: -0.061 local terms energy: -25.836165 where: bonds (distance) C4'-P energy: -5.211 bonds (distance) P-C4' energy: -5.254 flat angles C4'-P-C4' energy: -6.243 flat angles P-C4'-P energy: -6.215 tors. eta vs tors. theta energy: -2.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -47.655239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.655239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.655239 (E_RNA) where: Base-Base interactions energy: -17.680 where: short stacking energy: -16.478 Base-Backbone interact. energy: -0.132 local terms energy: -29.843362 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -6.848 flat angles C4'-P-C4' energy: -8.160 flat angles P-C4'-P energy: -3.318 tors. eta vs tors. theta energy: -2.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -47.353644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.353644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.353644 (E_RNA) where: Base-Base interactions energy: -15.892 where: short stacking energy: -15.892 Base-Backbone interact. energy: -0.009 local terms energy: -31.452142 where: bonds (distance) C4'-P energy: -6.184 bonds (distance) P-C4' energy: -7.830 flat angles C4'-P-C4' energy: -7.583 flat angles P-C4'-P energy: -5.401 tors. eta vs tors. theta energy: -4.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -53.325857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.325857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.325857 (E_RNA) where: Base-Base interactions energy: -20.701 where: short stacking energy: -20.701 Base-Backbone interact. energy: -0.001 local terms energy: -32.623384 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -4.827 flat angles C4'-P-C4' energy: -7.739 flat angles P-C4'-P energy: -5.377 tors. eta vs tors. theta energy: -8.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -45.031176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.031176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.031176 (E_RNA) where: Base-Base interactions energy: -17.291 where: short stacking energy: -17.291 Base-Backbone interact. energy: -0.068 local terms energy: -27.672402 where: bonds (distance) C4'-P energy: -5.684 bonds (distance) P-C4' energy: -7.385 flat angles C4'-P-C4' energy: -5.916 flat angles P-C4'-P energy: -6.029 tors. eta vs tors. theta energy: -2.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -73.236586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.236586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.236586 (E_RNA) where: Base-Base interactions energy: -39.210 where: short stacking energy: -29.715 Base-Backbone interact. energy: -0.004 local terms energy: -34.022722 where: bonds (distance) C4'-P energy: -6.477 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -5.691 flat angles P-C4'-P energy: -6.285 tors. eta vs tors. theta energy: -6.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -59.151641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.151641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.151641 (E_RNA) where: Base-Base interactions energy: -26.143 where: short stacking energy: -16.603 Base-Backbone interact. energy: -0.033 local terms energy: -32.974953 where: bonds (distance) C4'-P energy: -7.683 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -7.347 flat angles P-C4'-P energy: -6.019 tors. eta vs tors. theta energy: -3.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -53.493473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.493473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.493473 (E_RNA) where: Base-Base interactions energy: -18.053 where: short stacking energy: -18.053 Base-Backbone interact. energy: -0.092 local terms energy: -35.348484 where: bonds (distance) C4'-P energy: -7.224 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -8.227 flat angles P-C4'-P energy: -6.710 tors. eta vs tors. theta energy: -4.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -60.038728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.038728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.038728 (E_RNA) where: Base-Base interactions energy: -27.521 where: short stacking energy: -24.824 Base-Backbone interact. energy: -0.026 local terms energy: -32.491798 where: bonds (distance) C4'-P energy: -7.783 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -7.450 flat angles P-C4'-P energy: -4.352 tors. eta vs tors. theta energy: -4.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -53.000151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.000151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.000151 (E_RNA) where: Base-Base interactions energy: -22.125 where: short stacking energy: -22.125 Base-Backbone interact. energy: -0.000 local terms energy: -30.875151 where: bonds (distance) C4'-P energy: -5.680 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.376 flat angles P-C4'-P energy: -3.858 tors. eta vs tors. theta energy: -7.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -42.908427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.908427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.908427 (E_RNA) where: Base-Base interactions energy: -18.372 where: short stacking energy: -18.372 Base-Backbone interact. energy: -0.000 local terms energy: -24.536047 where: bonds (distance) C4'-P energy: -4.074 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -3.165 flat angles P-C4'-P energy: -4.828 tors. eta vs tors. theta energy: -3.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -50.582238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.582238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.582238 (E_RNA) where: Base-Base interactions energy: -21.794 where: short stacking energy: -19.996 Base-Backbone interact. energy: -0.021 local terms energy: -28.767589 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -4.165 flat angles C4'-P-C4' energy: -6.156 flat angles P-C4'-P energy: -6.123 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: 8, replica: 8 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -47.069071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.069071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.069071 (E_RNA) where: Base-Base interactions energy: -17.268 where: short stacking energy: -17.268 Base-Backbone interact. energy: -0.012 local terms energy: -29.788992 where: bonds (distance) C4'-P energy: -5.174 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -6.810 flat angles P-C4'-P energy: -5.518 tors. eta vs tors. theta energy: -4.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -41.766449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.766449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.766449 (E_RNA) where: Base-Base interactions energy: -14.858 where: short stacking energy: -10.214 Base-Backbone interact. energy: -0.042 local terms energy: -26.866521 where: bonds (distance) C4'-P energy: -7.319 bonds (distance) P-C4' energy: -6.576 flat angles C4'-P-C4' energy: -7.163 flat angles P-C4'-P energy: -4.438 tors. eta vs tors. theta energy: -1.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -43.038980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.038980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.038980 (E_RNA) where: Base-Base interactions energy: -13.231 where: short stacking energy: -10.955 Base-Backbone interact. energy: -0.048 local terms energy: -29.759478 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -7.208 flat angles P-C4'-P energy: -5.878 tors. eta vs tors. theta energy: -1.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -69.565433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.565433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.565433 (E_RNA) where: Base-Base interactions energy: -31.995 where: short stacking energy: -31.995 Base-Backbone interact. energy: -0.000 local terms energy: -37.570353 where: bonds (distance) C4'-P energy: -8.751 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -8.229 flat angles P-C4'-P energy: -4.014 tors. eta vs tors. theta energy: -8.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -60.530143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.530143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.530143 (E_RNA) where: Base-Base interactions energy: -24.762 where: short stacking energy: -24.762 Base-Backbone interact. energy: -0.003 local terms energy: -35.765432 where: bonds (distance) C4'-P energy: -6.561 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -6.787 flat angles P-C4'-P energy: -7.155 tors. eta vs tors. theta energy: -6.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -63.198315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.198315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.198315 (E_RNA) where: Base-Base interactions energy: -26.647 where: short stacking energy: -26.647 Base-Backbone interact. energy: -0.016 local terms energy: -36.535058 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -6.425 flat angles P-C4'-P energy: -7.401 tors. eta vs tors. theta energy: -6.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -58.533359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.533359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.533359 (E_RNA) where: Base-Base interactions energy: -30.654 where: short stacking energy: -22.849 Base-Backbone interact. energy: -0.000 local terms energy: -27.879038 where: bonds (distance) C4'-P energy: -6.511 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.080 flat angles P-C4'-P energy: -2.946 tors. eta vs tors. theta energy: -5.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -53.474376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.474376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.474376 (E_RNA) where: Base-Base interactions energy: -27.644 where: short stacking energy: -14.579 Base-Backbone interact. energy: -0.408 local terms energy: -25.423367 where: bonds (distance) C4'-P energy: -6.859 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -5.553 flat angles P-C4'-P energy: -3.784 tors. eta vs tors. theta energy: -0.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -47.811500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.811500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.811500 (E_RNA) where: Base-Base interactions energy: -16.279 where: short stacking energy: -16.279 Base-Backbone interact. energy: -0.004 local terms energy: -31.528469 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.772 flat angles P-C4'-P energy: -6.383 tors. eta vs tors. theta energy: -3.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -46.617747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.617747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.617747 (E_RNA) where: Base-Base interactions energy: -20.391 where: short stacking energy: -20.391 Base-Backbone interact. energy: -0.027 local terms energy: -26.199492 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -3.976 flat angles P-C4'-P energy: -3.836 tors. eta vs tors. theta energy: -1.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -49.096243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.096243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.096243 (E_RNA) where: Base-Base interactions energy: -21.366 where: short stacking energy: -21.223 Base-Backbone interact. energy: -0.476 local terms energy: -27.254790 where: bonds (distance) C4'-P energy: -5.865 bonds (distance) P-C4' energy: -3.962 flat angles C4'-P-C4' energy: -7.844 flat angles P-C4'-P energy: -7.257 tors. eta vs tors. theta energy: -2.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -44.726669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.726669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.726669 (E_RNA) where: Base-Base interactions energy: -17.627 where: short stacking energy: -17.627 Base-Backbone interact. energy: -0.097 local terms energy: -27.002075 where: bonds (distance) C4'-P energy: -3.316 bonds (distance) P-C4' energy: -7.520 flat angles C4'-P-C4' energy: -8.212 flat angles P-C4'-P energy: -5.553 tors. eta vs tors. theta energy: -2.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -44.832017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.832017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.832017 (E_RNA) where: Base-Base interactions energy: -16.182 where: short stacking energy: -14.192 Base-Backbone interact. energy: -0.006 local terms energy: -28.643893 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -5.341 flat angles P-C4'-P energy: -4.991 tors. eta vs tors. theta energy: -2.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -62.068550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.068550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.068550 (E_RNA) where: Base-Base interactions energy: -31.275 where: short stacking energy: -31.275 Base-Backbone interact. energy: -0.000 local terms energy: -30.792854 where: bonds (distance) C4'-P energy: -5.845 bonds (distance) P-C4' energy: -9.041 flat angles C4'-P-C4' energy: -5.785 flat angles P-C4'-P energy: -3.371 tors. eta vs tors. theta energy: -6.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -71.262828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.262828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.262828 (E_RNA) where: Base-Base interactions energy: -34.593 where: short stacking energy: -31.585 Base-Backbone interact. energy: -0.000 local terms energy: -36.669930 where: bonds (distance) C4'-P energy: -6.798 bonds (distance) P-C4' energy: -6.731 flat angles C4'-P-C4' energy: -7.455 flat angles P-C4'-P energy: -4.791 tors. eta vs tors. theta energy: -10.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -56.519711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.519711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.519711 (E_RNA) where: Base-Base interactions energy: -21.346 where: short stacking energy: -21.346 Base-Backbone interact. energy: -0.114 local terms energy: -35.059380 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -8.494 flat angles P-C4'-P energy: -5.779 tors. eta vs tors. theta energy: -5.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -55.478209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.478209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.478209 (E_RNA) where: Base-Base interactions energy: -20.150 where: short stacking energy: -20.150 Base-Backbone interact. energy: -0.000 local terms energy: -35.328010 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.669 flat angles P-C4'-P energy: -4.904 tors. eta vs tors. theta energy: -7.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -47.140757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.140757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.140757 (E_RNA) where: Base-Base interactions energy: -23.046 where: short stacking energy: -18.688 Base-Backbone interact. energy: -0.142 local terms energy: -23.952920 where: bonds (distance) C4'-P energy: -3.150 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -4.454 flat angles P-C4'-P energy: -5.594 tors. eta vs tors. theta energy: -3.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -48.674323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.674323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.674323 (E_RNA) where: Base-Base interactions energy: -14.956 where: short stacking energy: -14.956 Base-Backbone interact. energy: -0.014 local terms energy: -33.704773 where: bonds (distance) C4'-P energy: -6.967 bonds (distance) P-C4' energy: -7.575 flat angles C4'-P-C4' energy: -8.451 flat angles P-C4'-P energy: -7.103 tors. eta vs tors. theta energy: -3.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -51.086696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.086696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.086696 (E_RNA) where: Base-Base interactions energy: -23.385 where: short stacking energy: -22.250 Base-Backbone interact. energy: 0.093 local terms energy: -27.795072 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -8.576 flat angles C4'-P-C4' energy: -6.717 flat angles P-C4'-P energy: -3.825 tors. eta vs tors. theta energy: -2.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -46.052951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.052951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.052951 (E_RNA) where: Base-Base interactions energy: -15.775 where: short stacking energy: -15.775 Base-Backbone interact. energy: -0.001 local terms energy: -30.276626 where: bonds (distance) C4'-P energy: -6.983 bonds (distance) P-C4' energy: -7.026 flat angles C4'-P-C4' energy: -5.647 flat angles P-C4'-P energy: -5.692 tors. eta vs tors. theta energy: -4.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -43.267271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.267271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.267271 (E_RNA) where: Base-Base interactions energy: -12.279 where: short stacking energy: -12.279 Base-Backbone interact. energy: -0.002 local terms energy: -30.986626 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -6.309 flat angles P-C4'-P energy: -4.708 tors. eta vs tors. theta energy: -5.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -40.759635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.759635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.759635 (E_RNA) where: Base-Base interactions energy: -14.792 where: short stacking energy: -14.792 Base-Backbone interact. energy: -0.026 local terms energy: -25.941294 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -5.710 flat angles C4'-P-C4' energy: -5.458 flat angles P-C4'-P energy: -5.056 tors. eta vs tors. theta energy: -1.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -74.508767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.508767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.508767 (E_RNA) where: Base-Base interactions energy: -40.265 where: short stacking energy: -28.660 Base-Backbone interact. energy: -0.002 local terms energy: -34.242098 where: bonds (distance) C4'-P energy: -5.701 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.995 flat angles P-C4'-P energy: -5.703 tors. eta vs tors. theta energy: -7.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -67.534927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.534927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.534927 (E_RNA) where: Base-Base interactions energy: -31.952 where: short stacking energy: -31.952 Base-Backbone interact. energy: -0.002 local terms energy: -35.580979 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -8.179 flat angles C4'-P-C4' energy: -8.107 flat angles P-C4'-P energy: -5.461 tors. eta vs tors. theta energy: -6.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -51.574184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.574184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.574184 (E_RNA) where: Base-Base interactions energy: -21.931 where: short stacking energy: -21.931 Base-Backbone interact. energy: -0.000 local terms energy: -29.643185 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -8.097 flat angles C4'-P-C4' energy: -5.179 flat angles P-C4'-P energy: -5.344 tors. eta vs tors. theta energy: -5.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -52.461435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.461435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.461435 (E_RNA) where: Base-Base interactions energy: -30.305 where: short stacking energy: -17.706 Base-Backbone interact. energy: -0.040 local terms energy: -22.116380 where: bonds (distance) C4'-P energy: -6.441 bonds (distance) P-C4' energy: -5.819 flat angles C4'-P-C4' energy: -5.921 flat angles P-C4'-P energy: -3.750 tors. eta vs tors. theta energy: -0.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -56.513894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.513894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.513894 (E_RNA) where: Base-Base interactions energy: -22.820 where: short stacking energy: -22.820 Base-Backbone interact. energy: -0.001 local terms energy: -33.693000 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -7.238 flat angles P-C4'-P energy: -5.725 tors. eta vs tors. theta energy: -4.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -56.132570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.132570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.132570 (E_RNA) where: Base-Base interactions energy: -23.089 where: short stacking energy: -23.089 Base-Backbone interact. energy: -0.007 local terms energy: -33.036785 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: -5.237 tors. eta vs tors. theta energy: -6.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -53.588889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.588889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.588889 (E_RNA) where: Base-Base interactions energy: -24.519 where: short stacking energy: -24.519 Base-Backbone interact. energy: -0.001 local terms energy: -29.068976 where: bonds (distance) C4'-P energy: -6.186 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -4.776 flat angles P-C4'-P energy: -6.045 tors. eta vs tors. theta energy: -6.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -42.394595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.394595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.394595 (E_RNA) where: Base-Base interactions energy: -14.446 where: short stacking energy: -14.446 Base-Backbone interact. energy: -0.021 local terms energy: -27.927275 where: bonds (distance) C4'-P energy: -3.576 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.278 flat angles P-C4'-P energy: -5.816 tors. eta vs tors. theta energy: -2.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -41.960836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.960836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.960836 (E_RNA) where: Base-Base interactions energy: -18.683 where: short stacking energy: -13.265 Base-Backbone interact. energy: -0.086 local terms energy: -23.191924 where: bonds (distance) C4'-P energy: -5.141 bonds (distance) P-C4' energy: -5.472 flat angles C4'-P-C4' energy: -8.194 flat angles P-C4'-P energy: -4.788 tors. eta vs tors. theta energy: 0.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -39.459769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.459769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.459769 (E_RNA) where: Base-Base interactions energy: -10.043 where: short stacking energy: -10.043 Base-Backbone interact. energy: -0.064 local terms energy: -29.353301 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -4.392 flat angles P-C4'-P energy: -7.118 tors. eta vs tors. theta energy: -1.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -70.167996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.167996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.167996 (E_RNA) where: Base-Base interactions energy: -34.711 where: short stacking energy: -25.075 Base-Backbone interact. energy: -0.397 local terms energy: -35.060231 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -7.438 flat angles C4'-P-C4' energy: -6.984 flat angles P-C4'-P energy: -5.344 tors. eta vs tors. theta energy: -7.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -69.262387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.262387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.262387 (E_RNA) where: Base-Base interactions energy: -31.362 where: short stacking energy: -31.362 Base-Backbone interact. energy: -0.000 local terms energy: -37.900280 where: bonds (distance) C4'-P energy: -4.545 bonds (distance) P-C4' energy: -7.597 flat angles C4'-P-C4' energy: -8.813 flat angles P-C4'-P energy: -6.217 tors. eta vs tors. theta energy: -10.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -58.970314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.970314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.970314 (E_RNA) where: Base-Base interactions energy: -23.699 where: short stacking energy: -23.699 Base-Backbone interact. energy: -0.000 local terms energy: -35.271391 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -7.290 flat angles P-C4'-P energy: -5.297 tors. eta vs tors. theta energy: -6.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -54.438694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.438694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.438694 (E_RNA) where: Base-Base interactions energy: -21.233 where: short stacking energy: -21.233 Base-Backbone interact. energy: -0.000 local terms energy: -33.205724 where: bonds (distance) C4'-P energy: -7.265 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -5.168 flat angles P-C4'-P energy: -7.181 tors. eta vs tors. theta energy: -3.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -54.924297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.924297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.924297 (E_RNA) where: Base-Base interactions energy: -21.346 where: short stacking energy: -21.346 Base-Backbone interact. energy: -0.006 local terms energy: -33.572119 where: bonds (distance) C4'-P energy: -6.850 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -9.074 flat angles P-C4'-P energy: -3.490 tors. eta vs tors. theta energy: -5.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -50.813030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.813030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.813030 (E_RNA) where: Base-Base interactions energy: -21.134 where: short stacking energy: -20.258 Base-Backbone interact. energy: -0.000 local terms energy: -29.678596 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -7.511 flat angles P-C4'-P energy: -1.546 tors. eta vs tors. theta energy: -5.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -47.420971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.420971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.420971 (E_RNA) where: Base-Base interactions energy: -21.523 where: short stacking energy: -16.797 Base-Backbone interact. energy: -0.013 local terms energy: -25.884729 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -5.085 flat angles C4'-P-C4' energy: -6.445 flat angles P-C4'-P energy: -5.389 tors. eta vs tors. theta energy: -3.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -52.425801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.425801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.425801 (E_RNA) where: Base-Base interactions energy: -33.725 where: short stacking energy: -22.590 Base-Backbone interact. energy: -0.003 local terms energy: -18.697679 where: bonds (distance) C4'-P energy: -3.688 bonds (distance) P-C4' energy: -6.696 flat angles C4'-P-C4' energy: -4.720 flat angles P-C4'-P energy: -2.082 tors. eta vs tors. theta energy: -1.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -42.211901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.211901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.211901 (E_RNA) where: Base-Base interactions energy: -14.144 where: short stacking energy: -14.144 Base-Backbone interact. energy: -0.321 local terms energy: -27.746443 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.107 flat angles P-C4'-P energy: -2.829 tors. eta vs tors. theta energy: -1.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -38.781169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.781169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.781169 (E_RNA) where: Base-Base interactions energy: -17.886 where: short stacking energy: -16.908 Base-Backbone interact. energy: 2.230 local terms energy: -23.125290 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -4.269 flat angles C4'-P-C4' energy: -5.645 flat angles P-C4'-P energy: -4.017 tors. eta vs tors. theta energy: -0.931 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: 1, replica: 6 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -63.196767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.196767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.196767 (E_RNA) where: Base-Base interactions energy: -31.678 where: short stacking energy: -22.525 Base-Backbone interact. energy: -0.143 local terms energy: -31.376338 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -6.524 flat angles P-C4'-P energy: -5.559 tors. eta vs tors. theta energy: -1.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -64.886764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.886764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.886764 (E_RNA) where: Base-Base interactions energy: -28.231 where: short stacking energy: -28.231 Base-Backbone interact. energy: -0.081 local terms energy: -36.574791 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -5.480 flat angles P-C4'-P energy: -5.756 tors. eta vs tors. theta energy: -8.756 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: 8 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -55.808014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.808014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.808014 (E_RNA) where: Base-Base interactions energy: -23.086 where: short stacking energy: -23.086 Base-Backbone interact. energy: -0.005 local terms energy: -32.717044 where: bonds (distance) C4'-P energy: -5.022 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -7.041 flat angles P-C4'-P energy: -6.549 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: 4, replica: 9 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -54.887659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.887659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.887659 (E_RNA) where: Base-Base interactions energy: -24.639 where: short stacking energy: -21.401 Base-Backbone interact. energy: -0.003 local terms energy: -30.245873 where: bonds (distance) C4'-P energy: -6.549 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -4.705 flat angles P-C4'-P energy: -5.159 tors. eta vs tors. theta energy: -4.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -52.525710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.525710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.525710 (E_RNA) where: Base-Base interactions energy: -24.733 where: short stacking energy: -20.889 Base-Backbone interact. energy: -0.442 local terms energy: -27.350327 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -7.270 flat angles P-C4'-P energy: -1.849 tors. eta vs tors. theta energy: -2.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -55.283133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.283133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.283133 (E_RNA) where: Base-Base interactions energy: -25.665 where: short stacking energy: -25.665 Base-Backbone interact. energy: -0.001 local terms energy: -29.617349 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -5.907 flat angles P-C4'-P energy: -2.970 tors. eta vs tors. theta energy: -4.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -59.470333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.470333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.470333 (E_RNA) where: Base-Base interactions energy: -28.973 where: short stacking energy: -21.170 Base-Backbone interact. energy: -0.006 local terms energy: -30.491168 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.891 flat angles P-C4'-P energy: -2.666 tors. eta vs tors. theta energy: -5.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -42.431128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.431128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.431128 (E_RNA) where: Base-Base interactions energy: -15.477 where: short stacking energy: -15.477 Base-Backbone interact. energy: -0.157 local terms energy: -26.797240 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -6.520 flat angles C4'-P-C4' energy: -7.060 flat angles P-C4'-P energy: -2.875 tors. eta vs tors. theta energy: -2.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -52.892541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.892541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.892541 (E_RNA) where: Base-Base interactions energy: -24.367 where: short stacking energy: -22.776 Base-Backbone interact. energy: -0.063 local terms energy: -28.462140 where: bonds (distance) C4'-P energy: -4.743 bonds (distance) P-C4' energy: -4.781 flat angles C4'-P-C4' energy: -6.813 flat angles P-C4'-P energy: -5.930 tors. eta vs tors. theta energy: -6.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -39.627202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.627202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.627202 (E_RNA) where: Base-Base interactions energy: -12.750 where: short stacking energy: -11.796 Base-Backbone interact. energy: -0.028 local terms energy: -26.848862 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.256 flat angles C4'-P-C4' energy: -5.823 flat angles P-C4'-P energy: -4.434 tors. eta vs tors. theta energy: -0.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -64.719747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.719747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.719747 (E_RNA) where: Base-Base interactions energy: -28.333 where: short stacking energy: -27.152 Base-Backbone interact. energy: -0.258 local terms energy: -36.129147 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -7.830 flat angles C4'-P-C4' energy: -6.201 flat angles P-C4'-P energy: -6.958 tors. eta vs tors. theta energy: -6.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -63.732388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.732388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.732388 (E_RNA) where: Base-Base interactions energy: -25.118 where: short stacking energy: -25.118 Base-Backbone interact. energy: -0.048 local terms energy: -38.566326 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.773 flat angles P-C4'-P energy: -5.824 tors. eta vs tors. theta energy: -7.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -61.446083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.446083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.446083 (E_RNA) where: Base-Base interactions energy: -27.722 where: short stacking energy: -27.722 Base-Backbone interact. energy: -0.002 local terms energy: -33.722618 where: bonds (distance) C4'-P energy: -6.761 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.596 flat angles P-C4'-P energy: -6.503 tors. eta vs tors. theta energy: -6.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -51.781771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.781771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.781771 (E_RNA) where: Base-Base interactions energy: -18.276 where: short stacking energy: -18.276 Base-Backbone interact. energy: -0.003 local terms energy: -33.502158 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -7.215 flat angles P-C4'-P energy: -4.424 tors. eta vs tors. theta energy: -5.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -48.526421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.526421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.526421 (E_RNA) where: Base-Base interactions energy: -18.345 where: short stacking energy: -18.040 Base-Backbone interact. energy: -0.000 local terms energy: -30.181099 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -7.023 flat angles C4'-P-C4' energy: -7.460 flat angles P-C4'-P energy: -4.679 tors. eta vs tors. theta energy: -3.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -56.416910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.416910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.416910 (E_RNA) where: Base-Base interactions energy: -23.389 where: short stacking energy: -23.389 Base-Backbone interact. energy: -0.000 local terms energy: -33.027434 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.231 flat angles P-C4'-P energy: -3.645 tors. eta vs tors. theta energy: -4.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -44.668983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.668983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.668983 (E_RNA) where: Base-Base interactions energy: -15.347 where: short stacking energy: -15.347 Base-Backbone interact. energy: -0.171 local terms energy: -29.150826 where: bonds (distance) C4'-P energy: -7.320 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.677 flat angles P-C4'-P energy: -5.085 tors. eta vs tors. theta energy: -0.175 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: 10 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -50.397525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.397525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.397525 (E_RNA) where: Base-Base interactions energy: -18.305 where: short stacking energy: -18.305 Base-Backbone interact. energy: -0.001 local terms energy: -32.091373 where: bonds (distance) C4'-P energy: -5.803 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -5.692 flat angles P-C4'-P energy: -5.307 tors. eta vs tors. theta energy: -5.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -44.791099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.791099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.791099 (E_RNA) where: Base-Base interactions energy: -15.440 where: short stacking energy: -15.440 Base-Backbone interact. energy: -0.001 local terms energy: -29.350208 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -5.761 flat angles P-C4'-P energy: -6.398 tors. eta vs tors. theta energy: -2.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -35.111665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.111665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.111665 (E_RNA) where: Base-Base interactions energy: -20.502 where: short stacking energy: -14.694 Base-Backbone interact. energy: -0.100 local terms energy: -14.510097 where: bonds (distance) C4'-P energy: -5.555 bonds (distance) P-C4' energy: -2.364 flat angles C4'-P-C4' energy: -6.259 flat angles P-C4'-P energy: -1.373 tors. eta vs tors. theta energy: 1.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -57.399674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.399674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.399674 (E_RNA) where: Base-Base interactions energy: -24.715 where: short stacking energy: -24.715 Base-Backbone interact. energy: -0.002 local terms energy: -32.682187 where: bonds (distance) C4'-P energy: -7.811 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -5.678 flat angles P-C4'-P energy: -7.187 tors. eta vs tors. theta energy: -4.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -61.062779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.062779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.062779 (E_RNA) where: Base-Base interactions energy: -26.974 where: short stacking energy: -25.327 Base-Backbone interact. energy: -0.059 local terms energy: -34.029592 where: bonds (distance) C4'-P energy: -5.804 bonds (distance) P-C4' energy: -8.500 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -5.392 tors. eta vs tors. theta energy: -6.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -55.726478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.726478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.726478 (E_RNA) where: Base-Base interactions energy: -19.491 where: short stacking energy: -19.491 Base-Backbone interact. energy: -0.015 local terms energy: -36.220270 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -8.780 flat angles P-C4'-P energy: -6.966 tors. eta vs tors. theta energy: -4.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -51.747031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.747031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.747031 (E_RNA) where: Base-Base interactions energy: -22.980 where: short stacking energy: -22.980 Base-Backbone interact. energy: -0.095 local terms energy: -28.672079 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -7.414 flat angles C4'-P-C4' energy: -5.371 flat angles P-C4'-P energy: -4.335 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: 5, replica: 2 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -60.559872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.559872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.559872 (E_RNA) where: Base-Base interactions energy: -31.249 where: short stacking energy: -29.214 Base-Backbone interact. energy: -0.084 local terms energy: -29.226581 where: bonds (distance) C4'-P energy: -6.876 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -2.956 flat angles P-C4'-P energy: -4.469 tors. eta vs tors. theta energy: -6.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -52.985931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.985931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.985931 (E_RNA) where: Base-Base interactions energy: -19.744 where: short stacking energy: -19.744 Base-Backbone interact. energy: -0.002 local terms energy: -33.240029 where: bonds (distance) C4'-P energy: -7.530 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.406 flat angles P-C4'-P energy: -5.174 tors. eta vs tors. theta energy: -4.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -48.091314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.091314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.091314 (E_RNA) where: Base-Base interactions energy: -17.438 where: short stacking energy: -17.438 Base-Backbone interact. energy: -0.010 local terms energy: -30.643849 where: bonds (distance) C4'-P energy: -6.147 bonds (distance) P-C4' energy: -8.072 flat angles C4'-P-C4' energy: -8.284 flat angles P-C4'-P energy: -4.813 tors. eta vs tors. theta energy: -3.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -49.535721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.535721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.535721 (E_RNA) where: Base-Base interactions energy: -19.337 where: short stacking energy: -17.765 Base-Backbone interact. energy: -0.035 local terms energy: -30.164382 where: bonds (distance) C4'-P energy: -3.974 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -8.094 flat angles P-C4'-P energy: -5.741 tors. eta vs tors. theta energy: -3.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -41.102469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.102469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.102469 (E_RNA) where: Base-Base interactions energy: -16.715 where: short stacking energy: -12.547 Base-Backbone interact. energy: -0.069 local terms energy: -24.317997 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -4.774 flat angles P-C4'-P energy: -3.484 tors. eta vs tors. theta energy: -1.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -49.044041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.044041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.044041 (E_RNA) where: Base-Base interactions energy: -23.316 where: short stacking energy: -23.316 Base-Backbone interact. energy: -0.010 local terms energy: -25.718060 where: bonds (distance) C4'-P energy: -5.166 bonds (distance) P-C4' energy: -4.895 flat angles C4'-P-C4' energy: -4.891 flat angles P-C4'-P energy: -4.816 tors. eta vs tors. theta energy: -5.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -63.714713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.714713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.714713 (E_RNA) where: Base-Base interactions energy: -29.764 where: short stacking energy: -20.991 Base-Backbone interact. energy: -0.007 local terms energy: -33.944497 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.691 flat angles P-C4'-P energy: -3.635 tors. eta vs tors. theta energy: -3.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -62.335301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.335301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.335301 (E_RNA) where: Base-Base interactions energy: -28.301 where: short stacking energy: -28.301 Base-Backbone interact. energy: -0.022 local terms energy: -34.012264 where: bonds (distance) C4'-P energy: -6.821 bonds (distance) P-C4' energy: -7.501 flat angles C4'-P-C4' energy: -8.378 flat angles P-C4'-P energy: -4.749 tors. eta vs tors. theta energy: -6.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -58.131070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.131070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.131070 (E_RNA) where: Base-Base interactions energy: -22.094 where: short stacking energy: -22.094 Base-Backbone interact. energy: -0.003 local terms energy: -36.033282 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -7.658 flat angles P-C4'-P energy: -7.545 tors. eta vs tors. theta energy: -5.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -69.647076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.647076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.647076 (E_RNA) where: Base-Base interactions energy: -39.721 where: short stacking energy: -24.640 Base-Backbone interact. energy: 0.141 local terms energy: -30.066999 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -5.899 flat angles P-C4'-P energy: -3.704 tors. eta vs tors. theta energy: -3.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -51.358200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.358200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.358200 (E_RNA) where: Base-Base interactions energy: -20.473 where: short stacking energy: -20.165 Base-Backbone interact. energy: -0.022 local terms energy: -30.863032 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -9.274 flat angles P-C4'-P energy: -5.108 tors. eta vs tors. theta energy: -1.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -47.723226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.723226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.723226 (E_RNA) where: Base-Base interactions energy: -19.998 where: short stacking energy: -19.998 Base-Backbone interact. energy: -0.031 local terms energy: -27.693822 where: bonds (distance) C4'-P energy: -7.125 bonds (distance) P-C4' energy: -6.579 flat angles C4'-P-C4' energy: -5.229 flat angles P-C4'-P energy: -3.182 tors. eta vs tors. theta energy: -5.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -52.127493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.127493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.127493 (E_RNA) where: Base-Base interactions energy: -22.817 where: short stacking energy: -22.817 Base-Backbone interact. energy: -0.008 local terms energy: -29.301613 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -5.934 flat angles P-C4'-P energy: -2.730 tors. eta vs tors. theta energy: -6.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -39.604500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.604500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.604500 (E_RNA) where: Base-Base interactions energy: -16.686 where: short stacking energy: -16.686 Base-Backbone interact. energy: 0.083 local terms energy: -23.000965 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -1.356 flat angles C4'-P-C4' energy: -8.730 flat angles P-C4'-P energy: -4.863 tors. eta vs tors. theta energy: -0.020 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: 9, replica: 5 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -49.496425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.496425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.496425 (E_RNA) where: Base-Base interactions energy: -19.849 where: short stacking energy: -19.849 Base-Backbone interact. energy: -0.001 local terms energy: -29.646565 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -4.326 flat angles P-C4'-P energy: -7.304 tors. eta vs tors. theta energy: -3.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -40.396895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.396895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.396895 (E_RNA) where: Base-Base interactions energy: -13.444 where: short stacking energy: -7.913 Base-Backbone interact. energy: -0.164 local terms energy: -26.789026 where: bonds (distance) C4'-P energy: -6.486 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -5.735 flat angles P-C4'-P energy: -6.005 tors. eta vs tors. theta energy: -0.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -68.459667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.459667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.459667 (E_RNA) where: Base-Base interactions energy: -31.418 where: short stacking energy: -24.681 Base-Backbone interact. energy: -0.000 local terms energy: -37.040977 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.171 flat angles P-C4'-P energy: -6.423 tors. eta vs tors. theta energy: -4.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -61.325882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.325882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.325882 (E_RNA) where: Base-Base interactions energy: -24.763 where: short stacking energy: -24.763 Base-Backbone interact. energy: -0.001 local terms energy: -36.562393 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -6.928 flat angles P-C4'-P energy: -6.773 tors. eta vs tors. theta energy: -7.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -62.556086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.556086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.556086 (E_RNA) where: Base-Base interactions energy: -27.628 where: short stacking energy: -27.628 Base-Backbone interact. energy: -0.007 local terms energy: -34.920790 where: bonds (distance) C4'-P energy: -6.059 bonds (distance) P-C4' energy: -8.792 flat angles C4'-P-C4' energy: -3.254 flat angles P-C4'-P energy: -5.371 tors. eta vs tors. theta energy: -11.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -51.928093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.928093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.928093 (E_RNA) where: Base-Base interactions energy: -16.600 where: short stacking energy: -16.600 Base-Backbone interact. energy: -0.013 local terms energy: -35.315236 where: bonds (distance) C4'-P energy: -8.859 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -7.818 flat angles P-C4'-P energy: -6.586 tors. eta vs tors. theta energy: -3.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -54.352072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.352072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.352072 (E_RNA) where: Base-Base interactions energy: -19.997 where: short stacking energy: -19.526 Base-Backbone interact. energy: -0.094 local terms energy: -34.261000 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -6.302 flat angles P-C4'-P energy: -5.922 tors. eta vs tors. theta energy: -4.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -54.955786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.955786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.955786 (E_RNA) where: Base-Base interactions energy: -19.806 where: short stacking energy: -19.003 Base-Backbone interact. energy: -0.001 local terms energy: -35.148754 where: bonds (distance) C4'-P energy: -6.561 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -6.877 flat angles P-C4'-P energy: -6.158 tors. eta vs tors. theta energy: -5.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -46.322284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.322284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.322284 (E_RNA) where: Base-Base interactions energy: -17.709 where: short stacking energy: -12.237 Base-Backbone interact. energy: -0.724 local terms energy: -27.889742 where: bonds (distance) C4'-P energy: -7.198 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -6.726 flat angles P-C4'-P energy: -5.439 tors. eta vs tors. theta energy: -0.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -46.898884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.898884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.898884 (E_RNA) where: Base-Base interactions energy: -19.727 where: short stacking energy: -18.589 Base-Backbone interact. energy: -0.000 local terms energy: -27.172061 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.796 flat angles C4'-P-C4' energy: -3.933 flat angles P-C4'-P energy: -2.238 tors. eta vs tors. theta energy: -4.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -43.657744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.657744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.657744 (E_RNA) where: Base-Base interactions energy: -16.685 where: short stacking energy: -8.606 Base-Backbone interact. energy: -0.031 local terms energy: -26.941166 where: bonds (distance) C4'-P energy: -4.206 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.326 flat angles P-C4'-P energy: -6.170 tors. eta vs tors. theta energy: -1.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -41.117482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.117482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.117482 (E_RNA) where: Base-Base interactions energy: -12.334 where: short stacking energy: -12.334 Base-Backbone interact. energy: -0.155 local terms energy: -28.628803 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -4.637 flat angles P-C4'-P energy: -5.151 tors. eta vs tors. theta energy: -1.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -73.938618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.938618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.938618 (E_RNA) where: Base-Base interactions energy: -37.004 where: short stacking energy: -37.004 Base-Backbone interact. energy: -0.000 local terms energy: -36.934026 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -5.785 flat angles C4'-P-C4' energy: -6.258 flat angles P-C4'-P energy: -5.734 tors. eta vs tors. theta energy: -11.206 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: 2 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -61.587946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.587946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.587946 (E_RNA) where: Base-Base interactions energy: -25.868 where: short stacking energy: -25.868 Base-Backbone interact. energy: -0.371 local terms energy: -35.349379 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -8.280 flat angles C4'-P-C4' energy: -8.877 flat angles P-C4'-P energy: -6.387 tors. eta vs tors. theta energy: -3.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -61.242338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.242338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.242338 (E_RNA) where: Base-Base interactions energy: -23.767 where: short stacking energy: -23.767 Base-Backbone interact. energy: -0.000 local terms energy: -37.475159 where: bonds (distance) C4'-P energy: -6.976 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -8.596 flat angles P-C4'-P energy: -7.424 tors. eta vs tors. theta energy: -6.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -60.518508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.518508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.518508 (E_RNA) where: Base-Base interactions energy: -28.859 where: short stacking energy: -28.859 Base-Backbone interact. energy: -0.003 local terms energy: -31.656631 where: bonds (distance) C4'-P energy: -8.172 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -6.105 flat angles P-C4'-P energy: -3.115 tors. eta vs tors. theta energy: -6.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -51.988107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.988107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.988107 (E_RNA) where: Base-Base interactions energy: -22.343 where: short stacking energy: -22.343 Base-Backbone interact. energy: -0.109 local terms energy: -29.536697 where: bonds (distance) C4'-P energy: -5.937 bonds (distance) P-C4' energy: -6.352 flat angles C4'-P-C4' energy: -6.511 flat angles P-C4'-P energy: -4.357 tors. eta vs tors. theta energy: -6.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -43.459930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.459930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.459930 (E_RNA) where: Base-Base interactions energy: -15.589 where: short stacking energy: -15.589 Base-Backbone interact. energy: -0.148 local terms energy: -27.722845 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -8.828 flat angles P-C4'-P energy: -2.029 tors. eta vs tors. theta energy: -1.533 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: 317 Temperature: 1.200000 Total energy: -44.355417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.355417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.355417 (E_RNA) where: Base-Base interactions energy: -16.078 where: short stacking energy: -16.078 Base-Backbone interact. energy: 0.036 local terms energy: -28.313310 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -5.106 flat angles C4'-P-C4' energy: -7.825 flat angles P-C4'-P energy: -5.111 tors. eta vs tors. theta energy: -1.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -39.702046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.702046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.702046 (E_RNA) where: Base-Base interactions energy: -12.579 where: short stacking energy: -12.579 Base-Backbone interact. energy: -0.003 local terms energy: -27.120496 where: bonds (distance) C4'-P energy: -6.938 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -4.125 tors. eta vs tors. theta energy: -3.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -43.610324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.610324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.610324 (E_RNA) where: Base-Base interactions energy: -14.234 where: short stacking energy: -13.781 Base-Backbone interact. energy: -0.023 local terms energy: -29.354105 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -7.925 flat angles C4'-P-C4' energy: -3.970 flat angles P-C4'-P energy: -5.117 tors. eta vs tors. theta energy: -3.848 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: 5 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -41.528432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.528432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.528432 (E_RNA) where: Base-Base interactions energy: -14.764 where: short stacking energy: -14.764 Base-Backbone interact. energy: -0.100 local terms energy: -26.664513 where: bonds (distance) C4'-P energy: -5.762 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -5.725 flat angles P-C4'-P energy: -3.987 tors. eta vs tors. theta energy: -2.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -64.026339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.026339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.026339 (E_RNA) where: Base-Base interactions energy: -26.977 where: short stacking energy: -26.977 Base-Backbone interact. energy: -0.000 local terms energy: -37.048891 where: bonds (distance) C4'-P energy: -8.904 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -7.522 flat angles P-C4'-P energy: -3.348 tors. eta vs tors. theta energy: -7.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -66.230260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.230260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.230260 (E_RNA) where: Base-Base interactions energy: -32.493 where: short stacking energy: -29.489 Base-Backbone interact. energy: -0.001 local terms energy: -33.736424 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -7.519 flat angles C4'-P-C4' energy: -8.618 flat angles P-C4'-P energy: -4.544 tors. eta vs tors. theta energy: -7.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -61.141091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.141091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.141091 (E_RNA) where: Base-Base interactions energy: -26.399 where: short stacking energy: -22.663 Base-Backbone interact. energy: -0.001 local terms energy: -34.741726 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.047 flat angles C4'-P-C4' energy: -7.735 flat angles P-C4'-P energy: -4.397 tors. eta vs tors. theta energy: -6.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -64.076636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.076636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.076636 (E_RNA) where: Base-Base interactions energy: -29.352 where: short stacking energy: -29.352 Base-Backbone interact. energy: -0.011 local terms energy: -34.713595 where: bonds (distance) C4'-P energy: -7.678 bonds (distance) P-C4' energy: -5.902 flat angles C4'-P-C4' energy: -8.268 flat angles P-C4'-P energy: -5.971 tors. eta vs tors. theta energy: -6.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -68.625898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.625898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.625898 (E_RNA) where: Base-Base interactions energy: -34.182 where: short stacking energy: -19.787 Base-Backbone interact. energy: -0.028 local terms energy: -34.416832 where: bonds (distance) C4'-P energy: -5.403 bonds (distance) P-C4' energy: -7.429 flat angles C4'-P-C4' energy: -7.912 flat angles P-C4'-P energy: -5.299 tors. eta vs tors. theta energy: -8.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -57.362813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.362813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.362813 (E_RNA) where: Base-Base interactions energy: -20.941 where: short stacking energy: -20.941 Base-Backbone interact. energy: -0.000 local terms energy: -36.421770 where: bonds (distance) C4'-P energy: -8.937 bonds (distance) P-C4' energy: -8.339 flat angles C4'-P-C4' energy: -7.834 flat angles P-C4'-P energy: -3.405 tors. eta vs tors. theta energy: -7.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -45.905531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.905531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.905531 (E_RNA) where: Base-Base interactions energy: -14.925 where: short stacking energy: -14.925 Base-Backbone interact. energy: -0.102 local terms energy: -30.878476 where: bonds (distance) C4'-P energy: -7.579 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -6.400 flat angles P-C4'-P energy: -4.778 tors. eta vs tors. theta energy: -4.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -43.412095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.412095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.412095 (E_RNA) where: Base-Base interactions energy: -18.041 where: short stacking energy: -3.642 Base-Backbone interact. energy: -0.252 local terms energy: -25.119104 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -4.771 flat angles P-C4'-P energy: -4.090 tors. eta vs tors. theta energy: -0.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -52.142684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.142684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.142684 (E_RNA) where: Base-Base interactions energy: -25.604 where: short stacking energy: -25.604 Base-Backbone interact. energy: -0.004 local terms energy: -26.534667 where: bonds (distance) C4'-P energy: -3.130 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -4.641 flat angles P-C4'-P energy: -4.564 tors. eta vs tors. theta energy: -4.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -43.720789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.720789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.720789 (E_RNA) where: Base-Base interactions energy: -14.332 where: short stacking energy: -13.875 Base-Backbone interact. energy: -0.002 local terms energy: -29.387426 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -5.840 flat angles P-C4'-P energy: -6.418 tors. eta vs tors. theta energy: -3.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -64.232688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.232688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.232688 (E_RNA) where: Base-Base interactions energy: -30.385 where: short stacking energy: -30.385 Base-Backbone interact. energy: -0.000 local terms energy: -33.847119 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -6.620 flat angles P-C4'-P energy: -4.273 tors. eta vs tors. theta energy: -8.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -68.373071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.373071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.373071 (E_RNA) where: Base-Base interactions energy: -39.658 where: short stacking energy: -23.305 Base-Backbone interact. energy: -0.002 local terms energy: -28.713014 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -6.779 flat angles C4'-P-C4' energy: -6.203 flat angles P-C4'-P energy: -2.590 tors. eta vs tors. theta energy: -5.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -65.944259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.944259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.944259 (E_RNA) where: Base-Base interactions energy: -32.279 where: short stacking energy: -32.279 Base-Backbone interact. energy: -0.000 local terms energy: -33.665098 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -5.340 flat angles C4'-P-C4' energy: -5.410 flat angles P-C4'-P energy: -4.460 tors. eta vs tors. theta energy: -9.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -54.477655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.477655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.477655 (E_RNA) where: Base-Base interactions energy: -19.821 where: short stacking energy: -19.821 Base-Backbone interact. energy: -0.006 local terms energy: -34.651066 where: bonds (distance) C4'-P energy: -6.140 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.088 flat angles P-C4'-P energy: -6.739 tors. eta vs tors. theta energy: -5.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -59.882009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.882009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.882009 (E_RNA) where: Base-Base interactions energy: -28.631 where: short stacking energy: -19.146 Base-Backbone interact. energy: -0.008 local terms energy: -31.242924 where: bonds (distance) C4'-P energy: -6.264 bonds (distance) P-C4' energy: -5.603 flat angles C4'-P-C4' energy: -8.056 flat angles P-C4'-P energy: -5.009 tors. eta vs tors. theta energy: -6.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -44.105614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.105614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.105614 (E_RNA) where: Base-Base interactions energy: -15.214 where: short stacking energy: -15.214 Base-Backbone interact. energy: -0.000 local terms energy: -28.891310 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -6.537 flat angles P-C4'-P energy: -0.147 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: 1 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -45.599939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.599939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.599939 (E_RNA) where: Base-Base interactions energy: -17.993 where: short stacking energy: -16.111 Base-Backbone interact. energy: -0.075 local terms energy: -27.531644 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -6.159 flat angles C4'-P-C4' energy: -7.832 flat angles P-C4'-P energy: -3.516 tors. eta vs tors. theta energy: -1.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -46.773575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.773575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.773575 (E_RNA) where: Base-Base interactions energy: -16.912 where: short stacking energy: -9.455 Base-Backbone interact. energy: -0.005 local terms energy: -29.856570 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -7.543 flat angles P-C4'-P energy: -5.289 tors. eta vs tors. theta energy: -0.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -43.210033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.210033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.210033 (E_RNA) where: Base-Base interactions energy: -13.400 where: short stacking energy: -11.541 Base-Backbone interact. energy: -0.091 local terms energy: -29.718219 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.769 flat angles P-C4'-P energy: -4.871 tors. eta vs tors. theta energy: -0.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -41.784050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.784050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.784050 (E_RNA) where: Base-Base interactions energy: -17.738 where: short stacking energy: -8.888 Base-Backbone interact. energy: -0.081 local terms energy: -23.965703 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -7.171 flat angles P-C4'-P energy: -2.249 tors. eta vs tors. theta energy: 1.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -55.215766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.215766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.215766 (E_RNA) where: Base-Base interactions energy: -23.446 where: short stacking energy: -23.446 Base-Backbone interact. energy: -0.031 local terms energy: -31.738438 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -8.672 flat angles C4'-P-C4' energy: -5.725 flat angles P-C4'-P energy: -5.505 tors. eta vs tors. theta energy: -6.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -55.557629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.557629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.557629 (E_RNA) where: Base-Base interactions energy: -24.506 where: short stacking energy: -24.073 Base-Backbone interact. energy: -0.000 local terms energy: -31.051560 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.234 flat angles C4'-P-C4' energy: -9.119 flat angles P-C4'-P energy: -2.978 tors. eta vs tors. theta energy: -3.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -63.432910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.432910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.432910 (E_RNA) where: Base-Base interactions energy: -30.792 where: short stacking energy: -27.454 Base-Backbone interact. energy: -2.829 local terms energy: -29.811710 where: bonds (distance) C4'-P energy: -5.778 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -6.261 flat angles P-C4'-P energy: -4.878 tors. eta vs tors. theta energy: -4.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -64.375928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.375928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.375928 (E_RNA) where: Base-Base interactions energy: -29.837 where: short stacking energy: -22.089 Base-Backbone interact. energy: -0.000 local terms energy: -34.538634 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -8.179 flat angles C4'-P-C4' energy: -6.667 flat angles P-C4'-P energy: -4.082 tors. eta vs tors. theta energy: -8.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -65.230914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.230914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.230914 (E_RNA) where: Base-Base interactions energy: -30.338 where: short stacking energy: -23.638 Base-Backbone interact. energy: -0.049 local terms energy: -34.843943 where: bonds (distance) C4'-P energy: -6.752 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -7.545 flat angles P-C4'-P energy: -6.392 tors. eta vs tors. theta energy: -5.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -56.856917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.856917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.856917 (E_RNA) where: Base-Base interactions energy: -29.681 where: short stacking energy: -18.764 Base-Backbone interact. energy: -0.016 local terms energy: -27.159605 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -5.709 flat angles C4'-P-C4' energy: -6.963 flat angles P-C4'-P energy: -3.501 tors. eta vs tors. theta energy: -3.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -55.645980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.645980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.645980 (E_RNA) where: Base-Base interactions energy: -27.618 where: short stacking energy: -13.831 Base-Backbone interact. energy: -0.004 local terms energy: -28.023981 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -5.247 flat angles P-C4'-P energy: -5.186 tors. eta vs tors. theta energy: -3.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -48.536619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.536619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.536619 (E_RNA) where: Base-Base interactions energy: -16.927 where: short stacking energy: -16.927 Base-Backbone interact. energy: -0.001 local terms energy: -31.608420 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -6.709 flat angles P-C4'-P energy: -3.113 tors. eta vs tors. theta energy: -3.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -49.979598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.979598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.979598 (E_RNA) where: Base-Base interactions energy: -16.498 where: short stacking energy: -16.498 Base-Backbone interact. energy: -0.000 local terms energy: -33.481301 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -8.920 flat angles P-C4'-P energy: -2.577 tors. eta vs tors. theta energy: -7.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -44.962479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.962479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.962479 (E_RNA) where: Base-Base interactions energy: -18.838 where: short stacking energy: -17.045 Base-Backbone interact. energy: -0.002 local terms energy: -26.122410 where: bonds (distance) C4'-P energy: -7.331 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -5.106 flat angles P-C4'-P energy: -2.493 tors. eta vs tors. theta energy: -2.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -60.788455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.788455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.788455 (E_RNA) where: Base-Base interactions energy: -27.194 where: short stacking energy: -27.194 Base-Backbone interact. energy: -0.002 local terms energy: -33.592048 where: bonds (distance) C4'-P energy: -6.475 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.411 flat angles P-C4'-P energy: -4.762 tors. eta vs tors. theta energy: -6.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -65.605751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.605751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.605751 (E_RNA) where: Base-Base interactions energy: -29.050 where: short stacking energy: -20.466 Base-Backbone interact. energy: -2.655 local terms energy: -33.900839 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.612 flat angles P-C4'-P energy: -4.845 tors. eta vs tors. theta energy: -5.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -65.160309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.160309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.160309 (E_RNA) where: Base-Base interactions energy: -28.240 where: short stacking energy: -28.240 Base-Backbone interact. energy: -0.000 local terms energy: -36.919903 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -8.336 flat angles C4'-P-C4' energy: -6.461 flat angles P-C4'-P energy: -7.476 tors. eta vs tors. theta energy: -7.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -53.911932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.911932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.911932 (E_RNA) where: Base-Base interactions energy: -19.527 where: short stacking energy: -18.765 Base-Backbone interact. energy: -0.035 local terms energy: -34.350222 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -6.663 flat angles P-C4'-P energy: -5.298 tors. eta vs tors. theta energy: -5.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -64.347388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.347388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.347388 (E_RNA) where: Base-Base interactions energy: -31.524 where: short stacking energy: -22.062 Base-Backbone interact. energy: -0.011 local terms energy: -32.812127 where: bonds (distance) C4'-P energy: -5.954 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -7.651 flat angles P-C4'-P energy: -5.574 tors. eta vs tors. theta energy: -6.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -60.562063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.562063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.562063 (E_RNA) where: Base-Base interactions energy: -31.926 where: short stacking energy: -12.685 Base-Backbone interact. energy: -0.533 local terms energy: -28.103037 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -4.047 flat angles P-C4'-P energy: -3.755 tors. eta vs tors. theta energy: -4.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -51.583232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.583232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.583232 (E_RNA) where: Base-Base interactions energy: -25.150 where: short stacking energy: -17.856 Base-Backbone interact. energy: -0.028 local terms energy: -26.405045 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -5.886 flat angles C4'-P-C4' energy: -6.086 flat angles P-C4'-P energy: -3.692 tors. eta vs tors. theta energy: -2.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -56.683128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.683128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.683128 (E_RNA) where: Base-Base interactions energy: -22.213 where: short stacking energy: -22.213 Base-Backbone interact. energy: -0.001 local terms energy: -34.469630 where: bonds (distance) C4'-P energy: -7.121 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -5.467 flat angles P-C4'-P energy: -5.838 tors. eta vs tors. theta energy: -7.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -49.219333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.219333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.219333 (E_RNA) where: Base-Base interactions energy: -25.032 where: short stacking energy: -25.032 Base-Backbone interact. energy: -0.069 local terms energy: -24.117945 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -2.008 flat angles C4'-P-C4' energy: -4.434 flat angles P-C4'-P energy: -4.258 tors. eta vs tors. theta energy: -5.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -39.688429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.688429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.688429 (E_RNA) where: Base-Base interactions energy: -16.558 where: short stacking energy: -16.558 Base-Backbone interact. energy: -0.005 local terms energy: -23.125790 where: bonds (distance) C4'-P energy: -6.375 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -5.024 flat angles P-C4'-P energy: -3.308 tors. eta vs tors. theta energy: -0.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -70.844451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.844451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.844451 (E_RNA) where: Base-Base interactions energy: -30.701 where: short stacking energy: -30.701 Base-Backbone interact. energy: -0.000 local terms energy: -40.143495 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.370 flat angles P-C4'-P energy: -7.585 tors. eta vs tors. theta energy: -9.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -63.436926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.436926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.436926 (E_RNA) where: Base-Base interactions energy: -27.567 where: short stacking energy: -27.567 Base-Backbone interact. energy: -0.000 local terms energy: -35.869893 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.320 flat angles C4'-P-C4' energy: -6.997 flat angles P-C4'-P energy: -5.516 tors. eta vs tors. theta energy: -7.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -54.478928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.478928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.478928 (E_RNA) where: Base-Base interactions energy: -24.185 where: short stacking energy: -24.185 Base-Backbone interact. energy: -0.143 local terms energy: -30.150850 where: bonds (distance) C4'-P energy: -5.596 bonds (distance) P-C4' energy: -7.671 flat angles C4'-P-C4' energy: -8.552 flat angles P-C4'-P energy: -3.660 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: 4, replica: 6 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -48.044963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.044963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.044963 (E_RNA) where: Base-Base interactions energy: -14.654 where: short stacking energy: -14.654 Base-Backbone interact. energy: -0.022 local terms energy: -33.369266 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -8.707 flat angles P-C4'-P energy: -5.619 tors. eta vs tors. theta energy: -4.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -53.256046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.256046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.256046 (E_RNA) where: Base-Base interactions energy: -30.277 where: short stacking energy: -18.705 Base-Backbone interact. energy: -0.127 local terms energy: -22.851602 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -6.748 flat angles C4'-P-C4' energy: -7.353 flat angles P-C4'-P energy: -0.181 tors. eta vs tors. theta energy: -2.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -48.550726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.550726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.550726 (E_RNA) where: Base-Base interactions energy: -18.182 where: short stacking energy: -18.182 Base-Backbone interact. energy: -0.037 local terms energy: -30.332232 where: bonds (distance) C4'-P energy: -6.906 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -7.082 flat angles P-C4'-P energy: -4.993 tors. eta vs tors. theta energy: -2.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -48.797666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.797666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.797666 (E_RNA) where: Base-Base interactions energy: -20.304 where: short stacking energy: -20.304 Base-Backbone interact. energy: -0.068 local terms energy: -28.425429 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -7.760 flat angles C4'-P-C4' energy: -6.264 flat angles P-C4'-P energy: -3.148 tors. eta vs tors. theta energy: -4.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -59.463620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.463620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.463620 (E_RNA) where: Base-Base interactions energy: -32.739 where: short stacking energy: -19.833 Base-Backbone interact. energy: -0.132 local terms energy: -26.592389 where: bonds (distance) C4'-P energy: -5.742 bonds (distance) P-C4' energy: -6.429 flat angles C4'-P-C4' energy: -8.200 flat angles P-C4'-P energy: -6.796 tors. eta vs tors. theta energy: 0.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -42.336998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.336998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.336998 (E_RNA) where: Base-Base interactions energy: -17.282 where: short stacking energy: -16.238 Base-Backbone interact. energy: -0.100 local terms energy: -24.954981 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -7.247 flat angles P-C4'-P energy: 0.672 tors. eta vs tors. theta energy: -1.379 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: 1 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -51.443932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.443932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.443932 (E_RNA) where: Base-Base interactions energy: -22.572 where: short stacking energy: -13.317 Base-Backbone interact. energy: -0.000 local terms energy: -28.872003 where: bonds (distance) C4'-P energy: -7.099 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -6.204 flat angles P-C4'-P energy: -3.498 tors. eta vs tors. theta energy: -2.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -64.300194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.300194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.300194 (E_RNA) where: Base-Base interactions energy: -31.373 where: short stacking energy: -29.384 Base-Backbone interact. energy: 0.295 local terms energy: -33.221415 where: bonds (distance) C4'-P energy: -5.439 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.242 flat angles P-C4'-P energy: -6.669 tors. eta vs tors. theta energy: -5.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -64.522388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.522388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.522388 (E_RNA) where: Base-Base interactions energy: -28.812 where: short stacking energy: -28.812 Base-Backbone interact. energy: -0.000 local terms energy: -35.710432 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -9.546 flat angles C4'-P-C4' energy: -3.251 flat angles P-C4'-P energy: -5.852 tors. eta vs tors. theta energy: -8.505 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: 3, replica: 8 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -53.539513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.539513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.539513 (E_RNA) where: Base-Base interactions energy: -24.129 where: short stacking energy: -24.129 Base-Backbone interact. energy: -0.032 local terms energy: -29.378535 where: bonds (distance) C4'-P energy: -5.937 bonds (distance) P-C4' energy: -5.142 flat angles C4'-P-C4' energy: -7.949 flat angles P-C4'-P energy: -3.649 tors. eta vs tors. theta energy: -6.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -58.362090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.362090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.362090 (E_RNA) where: Base-Base interactions energy: -22.728 where: short stacking energy: -18.909 Base-Backbone interact. energy: -0.179 local terms energy: -35.455334 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -7.063 flat angles C4'-P-C4' energy: -8.297 flat angles P-C4'-P energy: -4.938 tors. eta vs tors. theta energy: -7.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -49.965612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.965612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.965612 (E_RNA) where: Base-Base interactions energy: -18.137 where: short stacking energy: -18.137 Base-Backbone interact. energy: -0.010 local terms energy: -31.818603 where: bonds (distance) C4'-P energy: -8.308 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -3.487 flat angles P-C4'-P energy: -3.964 tors. eta vs tors. theta energy: -6.969 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: 9 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -49.073578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.073578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.073578 (E_RNA) where: Base-Base interactions energy: -18.990 where: short stacking energy: -18.990 Base-Backbone interact. energy: -0.090 local terms energy: -29.994015 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -5.885 flat angles P-C4'-P energy: -4.371 tors. eta vs tors. theta energy: -2.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -46.793483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.793483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.793483 (E_RNA) where: Base-Base interactions energy: -20.992 where: short stacking energy: -20.992 Base-Backbone interact. energy: -0.000 local terms energy: -25.801264 where: bonds (distance) C4'-P energy: -5.253 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -6.911 flat angles P-C4'-P energy: 0.157 tors. eta vs tors. theta energy: -6.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -47.298870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.298870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.298870 (E_RNA) where: Base-Base interactions energy: -16.383 where: short stacking energy: -16.383 Base-Backbone interact. energy: -0.083 local terms energy: -30.833026 where: bonds (distance) C4'-P energy: -5.819 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -7.527 flat angles P-C4'-P energy: -3.974 tors. eta vs tors. theta energy: -5.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -51.320736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.320736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.320736 (E_RNA) where: Base-Base interactions energy: -19.124 where: short stacking energy: -19.124 Base-Backbone interact. energy: -0.005 local terms energy: -32.191163 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -5.591 flat angles P-C4'-P energy: -4.881 tors. eta vs tors. theta energy: -5.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -44.004464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.004464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.004464 (E_RNA) where: Base-Base interactions energy: -14.251 where: short stacking energy: -14.251 Base-Backbone interact. energy: -0.004 local terms energy: -29.749558 where: bonds (distance) C4'-P energy: -6.306 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -9.153 flat angles P-C4'-P energy: -4.394 tors. eta vs tors. theta energy: -2.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -71.711417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.711417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.711417 (E_RNA) where: Base-Base interactions energy: -38.499 where: short stacking energy: -26.811 Base-Backbone interact. energy: -0.007 local terms energy: -33.206007 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -7.636 flat angles P-C4'-P energy: -2.786 tors. eta vs tors. theta energy: -7.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -60.597674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.597674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.597674 (E_RNA) where: Base-Base interactions energy: -25.952 where: short stacking energy: -25.350 Base-Backbone interact. energy: -0.000 local terms energy: -34.645582 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -7.919 flat angles P-C4'-P energy: -5.115 tors. eta vs tors. theta energy: -5.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -53.998160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.998160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.998160 (E_RNA) where: Base-Base interactions energy: -17.020 where: short stacking energy: -17.020 Base-Backbone interact. energy: -0.071 local terms energy: -36.907877 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -9.150 flat angles P-C4'-P energy: -5.746 tors. eta vs tors. theta energy: -4.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -51.541768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.541768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.541768 (E_RNA) where: Base-Base interactions energy: -20.127 where: short stacking energy: -20.127 Base-Backbone interact. energy: -0.003 local terms energy: -31.411444 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -5.213 flat angles C4'-P-C4' energy: -5.999 flat angles P-C4'-P energy: -3.880 tors. eta vs tors. theta energy: -7.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -56.674980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.674980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.674980 (E_RNA) where: Base-Base interactions energy: -21.002 where: short stacking energy: -20.593 Base-Backbone interact. energy: -0.000 local terms energy: -35.672478 where: bonds (distance) C4'-P energy: -6.615 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.880 flat angles P-C4'-P energy: -3.781 tors. eta vs tors. theta energy: -8.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -54.763780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.763780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.763780 (E_RNA) where: Base-Base interactions energy: -20.197 where: short stacking energy: -20.197 Base-Backbone interact. energy: -0.000 local terms energy: -34.566965 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -5.989 flat angles P-C4'-P energy: -5.356 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: 7, replica: 7 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -52.365059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.365059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.365059 (E_RNA) where: Base-Base interactions energy: -22.177 where: short stacking energy: -22.177 Base-Backbone interact. energy: -0.009 local terms energy: -30.179298 where: bonds (distance) C4'-P energy: -8.002 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -4.785 flat angles P-C4'-P energy: -5.377 tors. eta vs tors. theta energy: -3.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -41.041573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.041573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.041573 (E_RNA) where: Base-Base interactions energy: -13.217 where: short stacking energy: -13.217 Base-Backbone interact. energy: -0.003 local terms energy: -27.821998 where: bonds (distance) C4'-P energy: -7.149 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -7.386 flat angles P-C4'-P energy: -3.270 tors. eta vs tors. theta energy: -2.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -44.010361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.010361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.010361 (E_RNA) where: Base-Base interactions energy: -17.412 where: short stacking energy: -16.096 Base-Backbone interact. energy: -0.331 local terms energy: -26.266889 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -5.481 flat angles C4'-P-C4' energy: -3.992 flat angles P-C4'-P energy: -2.491 tors. eta vs tors. theta energy: -5.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -45.933704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.933704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.933704 (E_RNA) where: Base-Base interactions energy: -18.066 where: short stacking energy: -17.757 Base-Backbone interact. energy: -0.049 local terms energy: -27.818892 where: bonds (distance) C4'-P energy: -2.538 bonds (distance) P-C4' energy: -7.757 flat angles C4'-P-C4' energy: -6.747 flat angles P-C4'-P energy: -3.551 tors. eta vs tors. theta energy: -7.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -62.881309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.881309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.881309 (E_RNA) where: Base-Base interactions energy: -25.380 where: short stacking energy: -25.380 Base-Backbone interact. energy: -0.039 local terms energy: -37.463092 where: bonds (distance) C4'-P energy: -7.977 bonds (distance) P-C4' energy: -8.030 flat angles C4'-P-C4' energy: -7.727 flat angles P-C4'-P energy: -5.867 tors. eta vs tors. theta energy: -7.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -55.844061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.844061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.844061 (E_RNA) where: Base-Base interactions energy: -23.177 where: short stacking energy: -22.442 Base-Backbone interact. energy: 0.442 local terms energy: -33.109478 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.613 flat angles P-C4'-P energy: -3.924 tors. eta vs tors. theta energy: -3.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -65.171582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.171582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.171582 (E_RNA) where: Base-Base interactions energy: -30.700 where: short stacking energy: -28.364 Base-Backbone interact. energy: -0.017 local terms energy: -34.454742 where: bonds (distance) C4'-P energy: -6.843 bonds (distance) P-C4' energy: -8.087 flat angles C4'-P-C4' energy: -6.675 flat angles P-C4'-P energy: -5.997 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: 4, replica: 9 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -46.594383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.594383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.594383 (E_RNA) where: Base-Base interactions energy: -17.094 where: short stacking energy: -17.094 Base-Backbone interact. energy: 0.014 local terms energy: -29.514769 where: bonds (distance) C4'-P energy: -3.232 bonds (distance) P-C4' energy: -8.354 flat angles C4'-P-C4' energy: -8.699 flat angles P-C4'-P energy: -4.368 tors. eta vs tors. theta energy: -4.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -53.270808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.270808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.270808 (E_RNA) where: Base-Base interactions energy: -24.432 where: short stacking energy: -19.538 Base-Backbone interact. energy: -0.438 local terms energy: -28.400686 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -6.346 flat angles C4'-P-C4' energy: -8.026 flat angles P-C4'-P energy: -0.784 tors. eta vs tors. theta energy: -4.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -43.181225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.181225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.181225 (E_RNA) where: Base-Base interactions energy: -13.147 where: short stacking energy: -12.843 Base-Backbone interact. energy: -0.001 local terms energy: -30.033951 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -6.064 flat angles P-C4'-P energy: -3.889 tors. eta vs tors. theta energy: -3.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -50.122912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.122912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.122912 (E_RNA) where: Base-Base interactions energy: -23.248 where: short stacking energy: -14.019 Base-Backbone interact. energy: -0.231 local terms energy: -26.644301 where: bonds (distance) C4'-P energy: -5.431 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -7.234 flat angles P-C4'-P energy: -4.452 tors. eta vs tors. theta energy: -1.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -44.523683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.523683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.523683 (E_RNA) where: Base-Base interactions energy: -15.135 where: short stacking energy: -10.552 Base-Backbone interact. energy: -0.003 local terms energy: -29.385534 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -7.757 flat angles C4'-P-C4' energy: -5.941 flat angles P-C4'-P energy: -5.881 tors. eta vs tors. theta energy: -1.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -44.204359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.204359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.204359 (E_RNA) where: Base-Base interactions energy: -17.616 where: short stacking energy: -17.616 Base-Backbone interact. energy: -0.011 local terms energy: -26.577540 where: bonds (distance) C4'-P energy: -6.761 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -7.223 flat angles P-C4'-P energy: -5.121 tors. eta vs tors. theta energy: -0.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -40.674513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.674513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.674513 (E_RNA) where: Base-Base interactions energy: -13.940 where: short stacking energy: -13.940 Base-Backbone interact. energy: 0.934 local terms energy: -27.668629 where: bonds (distance) C4'-P energy: -6.955 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -3.794 flat angles P-C4'-P energy: -5.702 tors. eta vs tors. theta energy: -1.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -75.229994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.229994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.229994 (E_RNA) where: Base-Base interactions energy: -42.249 where: short stacking energy: -28.090 Base-Backbone interact. energy: -0.000 local terms energy: -32.980322 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -7.005 flat angles C4'-P-C4' energy: -8.113 flat angles P-C4'-P energy: -3.461 tors. eta vs tors. theta energy: -5.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -74.666851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.666851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.666851 (E_RNA) where: Base-Base interactions energy: -35.766 where: short stacking energy: -28.126 Base-Backbone interact. energy: -0.025 local terms energy: -38.875459 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -8.556 flat angles P-C4'-P energy: -6.733 tors. eta vs tors. theta energy: -7.663 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: 9 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -62.447076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.447076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.447076 (E_RNA) where: Base-Base interactions energy: -27.093 where: short stacking energy: -27.093 Base-Backbone interact. energy: -0.016 local terms energy: -35.338022 where: bonds (distance) C4'-P energy: -8.006 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -8.248 flat angles P-C4'-P energy: -3.388 tors. eta vs tors. theta energy: -7.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -53.333525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.333525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.333525 (E_RNA) where: Base-Base interactions energy: -22.191 where: short stacking energy: -22.191 Base-Backbone interact. energy: -0.009 local terms energy: -31.134091 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -8.865 flat angles P-C4'-P energy: -2.131 tors. eta vs tors. theta energy: -3.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -47.980188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.980188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.980188 (E_RNA) where: Base-Base interactions energy: -27.818 where: short stacking energy: -17.649 Base-Backbone interact. energy: -0.041 local terms energy: -20.121263 where: bonds (distance) C4'-P energy: -5.449 bonds (distance) P-C4' energy: -4.614 flat angles C4'-P-C4' energy: -5.306 flat angles P-C4'-P energy: -4.292 tors. eta vs tors. theta energy: -0.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -54.618090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.618090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.618090 (E_RNA) where: Base-Base interactions energy: -19.414 where: short stacking energy: -19.414 Base-Backbone interact. energy: -0.005 local terms energy: -35.199179 where: bonds (distance) C4'-P energy: -7.812 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -8.348 flat angles P-C4'-P energy: -7.556 tors. eta vs tors. theta energy: -4.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -51.016276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.016276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.016276 (E_RNA) where: Base-Base interactions energy: -18.424 where: short stacking energy: -18.424 Base-Backbone interact. energy: -0.000 local terms energy: -32.592385 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -4.014 flat angles P-C4'-P energy: -5.402 tors. eta vs tors. theta energy: -6.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -47.667780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.667780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.667780 (E_RNA) where: Base-Base interactions energy: -18.895 where: short stacking energy: -18.895 Base-Backbone interact. energy: -0.302 local terms energy: -28.470742 where: bonds (distance) C4'-P energy: -6.768 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.813 flat angles P-C4'-P energy: -2.546 tors. eta vs tors. theta energy: -3.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -38.331894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.331894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.331894 (E_RNA) where: Base-Base interactions energy: -14.530 where: short stacking energy: -12.291 Base-Backbone interact. energy: -0.083 local terms energy: -23.718311 where: bonds (distance) C4'-P energy: -4.695 bonds (distance) P-C4' energy: -6.461 flat angles C4'-P-C4' energy: -6.335 flat angles P-C4'-P energy: -4.846 tors. eta vs tors. theta energy: -1.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -40.815086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.815086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.815086 (E_RNA) where: Base-Base interactions energy: -14.721 where: short stacking energy: -10.683 Base-Backbone interact. energy: -0.006 local terms energy: -26.088231 where: bonds (distance) C4'-P energy: -1.175 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.323 flat angles P-C4'-P energy: -6.019 tors. eta vs tors. theta energy: -5.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -68.977991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.977991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.977991 (E_RNA) where: Base-Base interactions energy: -36.856 where: short stacking energy: -28.226 Base-Backbone interact. energy: -0.010 local terms energy: -32.111176 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -5.262 flat angles C4'-P-C4' energy: -8.304 flat angles P-C4'-P energy: -5.176 tors. eta vs tors. theta energy: -5.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -73.817873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.817873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.817873 (E_RNA) where: Base-Base interactions energy: -35.727 where: short stacking energy: -35.727 Base-Backbone interact. energy: -0.000 local terms energy: -38.090972 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -7.582 flat angles P-C4'-P energy: -5.457 tors. eta vs tors. theta energy: -9.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -57.835552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.835552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.835552 (E_RNA) where: Base-Base interactions energy: -24.468 where: short stacking energy: -22.145 Base-Backbone interact. energy: -0.049 local terms energy: -33.318779 where: bonds (distance) C4'-P energy: -7.852 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -6.862 flat angles P-C4'-P energy: -4.368 tors. eta vs tors. theta energy: -6.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -66.750992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.750992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.750992 (E_RNA) where: Base-Base interactions energy: -38.307 where: short stacking energy: -21.205 Base-Backbone interact. energy: -0.000 local terms energy: -28.443678 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.629 flat angles P-C4'-P energy: -3.066 tors. eta vs tors. theta energy: -2.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -58.763573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.763573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.763573 (E_RNA) where: Base-Base interactions energy: -25.140 where: short stacking energy: -25.140 Base-Backbone interact. energy: -0.010 local terms energy: -33.613729 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -6.917 flat angles P-C4'-P energy: -5.827 tors. eta vs tors. theta energy: -3.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -52.572880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.572880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.572880 (E_RNA) where: Base-Base interactions energy: -18.151 where: short stacking energy: -18.151 Base-Backbone interact. energy: -0.006 local terms energy: -34.415884 where: bonds (distance) C4'-P energy: -6.805 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -6.915 flat angles P-C4'-P energy: -3.895 tors. eta vs tors. theta energy: -7.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -46.061370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.061370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.061370 (E_RNA) where: Base-Base interactions energy: -17.726 where: short stacking energy: -17.726 Base-Backbone interact. energy: -0.000 local terms energy: -28.334595 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -7.736 flat angles P-C4'-P energy: -3.157 tors. eta vs tors. theta energy: -4.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -48.710743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.710743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.710743 (E_RNA) where: Base-Base interactions energy: -20.414 where: short stacking energy: -20.414 Base-Backbone interact. energy: -0.013 local terms energy: -28.282876 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.277 flat angles P-C4'-P energy: -1.883 tors. eta vs tors. theta energy: -2.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -45.912512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.912512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.912512 (E_RNA) where: Base-Base interactions energy: -16.084 where: short stacking energy: -16.084 Base-Backbone interact. energy: -0.012 local terms energy: -29.816422 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.758 flat angles P-C4'-P energy: -5.048 tors. eta vs tors. theta energy: -1.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -42.406774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.406774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.406774 (E_RNA) where: Base-Base interactions energy: -17.687 where: short stacking energy: -16.797 Base-Backbone interact. energy: -0.034 local terms energy: -24.686117 where: bonds (distance) C4'-P energy: -5.146 bonds (distance) P-C4' energy: -3.289 flat angles C4'-P-C4' energy: -7.670 flat angles P-C4'-P energy: -4.717 tors. eta vs tors. theta energy: -3.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -66.402172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.402172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.402172 (E_RNA) where: Base-Base interactions energy: -29.620 where: short stacking energy: -29.620 Base-Backbone interact. energy: 1.392 local terms energy: -38.174403 where: bonds (distance) C4'-P energy: -7.369 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.606 flat angles P-C4'-P energy: -6.270 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: 2, replica: 5 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -69.432291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.432291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.432291 (E_RNA) where: Base-Base interactions energy: -38.258 where: short stacking energy: -21.331 Base-Backbone interact. energy: -0.002 local terms energy: -31.172315 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -6.703 flat angles P-C4'-P energy: -2.523 tors. eta vs tors. theta energy: -5.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -53.244690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.244690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.244690 (E_RNA) where: Base-Base interactions energy: -20.771 where: short stacking energy: -20.771 Base-Backbone interact. energy: -0.002 local terms energy: -32.471846 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -6.981 flat angles P-C4'-P energy: -3.474 tors. eta vs tors. theta energy: -5.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -59.874039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.874039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.874039 (E_RNA) where: Base-Base interactions energy: -27.724 where: short stacking energy: -16.193 Base-Backbone interact. energy: 0.270 local terms energy: -32.420631 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -8.037 flat angles P-C4'-P energy: -4.747 tors. eta vs tors. theta energy: -1.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -55.927247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.927247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.927247 (E_RNA) where: Base-Base interactions energy: -26.704 where: short stacking energy: -20.162 Base-Backbone interact. energy: -0.021 local terms energy: -29.202144 where: bonds (distance) C4'-P energy: -6.930 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -7.090 flat angles P-C4'-P energy: -2.530 tors. eta vs tors. theta energy: -4.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -50.348258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.348258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.348258 (E_RNA) where: Base-Base interactions energy: -19.104 where: short stacking energy: -19.104 Base-Backbone interact. energy: -0.071 local terms energy: -31.173738 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -8.201 flat angles P-C4'-P energy: -2.848 tors. eta vs tors. theta energy: -3.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -53.678870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.678870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.678870 (E_RNA) where: Base-Base interactions energy: -28.533 where: short stacking energy: -16.171 Base-Backbone interact. energy: -0.000 local terms energy: -25.145384 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.431 flat angles P-C4'-P energy: -4.462 tors. eta vs tors. theta energy: -2.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -49.454425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.454425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.454425 (E_RNA) where: Base-Base interactions energy: -21.423 where: short stacking energy: -21.423 Base-Backbone interact. energy: -0.000 local terms energy: -28.031481 where: bonds (distance) C4'-P energy: -4.806 bonds (distance) P-C4' energy: -4.951 flat angles C4'-P-C4' energy: -8.655 flat angles P-C4'-P energy: -3.220 tors. eta vs tors. theta energy: -6.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -58.719960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.719960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.719960 (E_RNA) where: Base-Base interactions energy: -33.596 where: short stacking energy: -11.242 Base-Backbone interact. energy: -1.242 local terms energy: -23.882244 where: bonds (distance) C4'-P energy: -5.395 bonds (distance) P-C4' energy: -5.849 flat angles C4'-P-C4' energy: -5.570 flat angles P-C4'-P energy: -4.945 tors. eta vs tors. theta energy: -2.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -43.505608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.505608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.505608 (E_RNA) where: Base-Base interactions energy: -13.848 where: short stacking energy: -13.222 Base-Backbone interact. energy: -0.072 local terms energy: -29.586340 where: bonds (distance) C4'-P energy: -4.631 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -8.403 flat angles P-C4'-P energy: -4.592 tors. eta vs tors. theta energy: -2.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -63.416860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.416860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.416860 (E_RNA) where: Base-Base interactions energy: -29.466 where: short stacking energy: -26.729 Base-Backbone interact. energy: -0.041 local terms energy: -33.909950 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.850 flat angles P-C4'-P energy: -5.978 tors. eta vs tors. theta energy: -4.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -64.792370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.792370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.792370 (E_RNA) where: Base-Base interactions energy: -28.502 where: short stacking energy: -28.502 Base-Backbone interact. energy: -0.000 local terms energy: -36.290135 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -5.926 flat angles P-C4'-P energy: -7.071 tors. eta vs tors. theta energy: -7.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -58.289654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.289654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.289654 (E_RNA) where: Base-Base interactions energy: -22.341 where: short stacking energy: -22.341 Base-Backbone interact. energy: -0.000 local terms energy: -35.948800 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -8.389 flat angles C4'-P-C4' energy: -6.720 flat angles P-C4'-P energy: -3.066 tors. eta vs tors. theta energy: -9.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -56.777739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.777739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.777739 (E_RNA) where: Base-Base interactions energy: -23.471 where: short stacking energy: -23.017 Base-Backbone interact. energy: 0.599 local terms energy: -33.906444 where: bonds (distance) C4'-P energy: -7.314 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -7.227 flat angles P-C4'-P energy: -5.414 tors. eta vs tors. theta energy: -6.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -62.314052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.314052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.314052 (E_RNA) where: Base-Base interactions energy: -30.146 where: short stacking energy: -22.327 Base-Backbone interact. energy: -0.008 local terms energy: -32.160666 where: bonds (distance) C4'-P energy: -8.466 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -8.126 flat angles P-C4'-P energy: -3.685 tors. eta vs tors. theta energy: -3.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -60.888414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.888414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.888414 (E_RNA) where: Base-Base interactions energy: -26.703 where: short stacking energy: -22.570 Base-Backbone interact. energy: -0.022 local terms energy: -34.163267 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -8.535 flat angles C4'-P-C4' energy: -7.540 flat angles P-C4'-P energy: -4.786 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: 7, replica: 8 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -50.348485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.348485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.348485 (E_RNA) where: Base-Base interactions energy: -22.157 where: short stacking energy: -22.157 Base-Backbone interact. energy: -0.058 local terms energy: -28.133536 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -4.722 flat angles C4'-P-C4' energy: -7.843 flat angles P-C4'-P energy: -4.869 tors. eta vs tors. theta energy: -2.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -54.187469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.187469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.187469 (E_RNA) where: Base-Base interactions energy: -22.649 where: short stacking energy: -9.533 Base-Backbone interact. energy: -1.074 local terms energy: -30.464781 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -5.247 flat angles C4'-P-C4' energy: -9.444 flat angles P-C4'-P energy: -4.782 tors. eta vs tors. theta energy: -4.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -41.689488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.689488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.689488 (E_RNA) where: Base-Base interactions energy: -13.730 where: short stacking energy: -12.788 Base-Backbone interact. energy: -0.024 local terms energy: -27.935639 where: bonds (distance) C4'-P energy: -6.710 bonds (distance) P-C4' energy: -8.675 flat angles C4'-P-C4' energy: -3.827 flat angles P-C4'-P energy: -6.669 tors. eta vs tors. theta energy: -2.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -47.283697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.283697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.283697 (E_RNA) where: Base-Base interactions energy: -23.586 where: short stacking energy: -23.586 Base-Backbone interact. energy: -0.001 local terms energy: -23.697040 where: bonds (distance) C4'-P energy: -2.367 bonds (distance) P-C4' energy: -5.171 flat angles C4'-P-C4' energy: -7.674 flat angles P-C4'-P energy: -4.109 tors. eta vs tors. theta energy: -4.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -66.244967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.244967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.244967 (E_RNA) where: Base-Base interactions energy: -29.650 where: short stacking energy: -29.650 Base-Backbone interact. energy: -0.000 local terms energy: -36.595133 where: bonds (distance) C4'-P energy: -8.077 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -7.603 flat angles P-C4'-P energy: -4.001 tors. eta vs tors. theta energy: -9.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -58.100448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.100448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.100448 (E_RNA) where: Base-Base interactions energy: -28.592 where: short stacking energy: -26.572 Base-Backbone interact. energy: -0.000 local terms energy: -29.508112 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -5.898 flat angles C4'-P-C4' energy: -5.887 flat angles P-C4'-P energy: -1.176 tors. eta vs tors. theta energy: -8.604 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: 3 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -61.019254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.019254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.019254 (E_RNA) where: Base-Base interactions energy: -22.883 where: short stacking energy: -22.883 Base-Backbone interact. energy: -0.000 local terms energy: -38.135771 where: bonds (distance) C4'-P energy: -7.514 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -7.956 flat angles P-C4'-P energy: -5.791 tors. eta vs tors. theta energy: -8.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -67.079146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.079146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.079146 (E_RNA) where: Base-Base interactions energy: -28.585 where: short stacking energy: -28.585 Base-Backbone interact. energy: -0.000 local terms energy: -38.493612 where: bonds (distance) C4'-P energy: -6.950 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -6.498 flat angles P-C4'-P energy: -5.891 tors. eta vs tors. theta energy: -10.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -50.817217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.817217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.817217 (E_RNA) where: Base-Base interactions energy: -17.294 where: short stacking energy: -17.175 Base-Backbone interact. energy: -0.121 local terms energy: -33.402496 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.026 flat angles C4'-P-C4' energy: -5.511 flat angles P-C4'-P energy: -6.704 tors. eta vs tors. theta energy: -4.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -52.815476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.815476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.815476 (E_RNA) where: Base-Base interactions energy: -24.845 where: short stacking energy: -21.017 Base-Backbone interact. energy: -0.057 local terms energy: -27.913060 where: bonds (distance) C4'-P energy: -6.239 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -2.921 flat angles P-C4'-P energy: -5.705 tors. eta vs tors. theta energy: -4.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -52.823259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.823259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.823259 (E_RNA) where: Base-Base interactions energy: -21.976 where: short stacking energy: -21.976 Base-Backbone interact. energy: -0.001 local terms energy: -30.846917 where: bonds (distance) C4'-P energy: -8.105 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -4.273 flat angles P-C4'-P energy: -5.769 tors. eta vs tors. theta energy: -3.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -50.373886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.373886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.373886 (E_RNA) where: Base-Base interactions energy: -20.829 where: short stacking energy: -20.829 Base-Backbone interact. energy: -0.000 local terms energy: -29.544472 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -7.998 flat angles P-C4'-P energy: -3.387 tors. eta vs tors. theta energy: -4.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -41.952253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.952253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.952253 (E_RNA) where: Base-Base interactions energy: -12.199 where: short stacking energy: -12.673 Base-Backbone interact. energy: -1.101 local terms energy: -28.651831 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -4.414 flat angles P-C4'-P energy: -6.878 tors. eta vs tors. theta energy: -0.469 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: 10, replica: 10 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -39.575816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.575816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.575816 (E_RNA) where: Base-Base interactions energy: -15.677 where: short stacking energy: -14.736 Base-Backbone interact. energy: -0.055 local terms energy: -23.843546 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.261 flat angles P-C4'-P energy: -3.527 tors. eta vs tors. theta energy: 1.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -71.333214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.333214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.333214 (E_RNA) where: Base-Base interactions energy: -32.689 where: short stacking energy: -32.689 Base-Backbone interact. energy: -0.000 local terms energy: -38.644644 where: bonds (distance) C4'-P energy: -7.320 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.807 flat angles P-C4'-P energy: -4.845 tors. eta vs tors. theta energy: -9.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -54.540001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.540001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.540001 (E_RNA) where: Base-Base interactions energy: -18.004 where: short stacking energy: -18.004 Base-Backbone interact. energy: -0.031 local terms energy: -36.505697 where: bonds (distance) C4'-P energy: -8.780 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -9.134 flat angles P-C4'-P energy: -6.244 tors. eta vs tors. theta energy: -3.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -58.139991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.139991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.139991 (E_RNA) where: Base-Base interactions energy: -27.042 where: short stacking energy: -27.042 Base-Backbone interact. energy: -0.000 local terms energy: -31.097377 where: bonds (distance) C4'-P energy: -5.911 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -4.835 flat angles P-C4'-P energy: -5.198 tors. eta vs tors. theta energy: -7.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -54.316671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.316671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.316671 (E_RNA) where: Base-Base interactions energy: -27.992 where: short stacking energy: -11.239 Base-Backbone interact. energy: -0.175 local terms energy: -26.150011 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -7.001 flat angles P-C4'-P energy: -5.684 tors. eta vs tors. theta energy: 1.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -55.070708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.070708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.070708 (E_RNA) where: Base-Base interactions energy: -25.802 where: short stacking energy: -25.802 Base-Backbone interact. energy: -0.038 local terms energy: -29.231056 where: bonds (distance) C4'-P energy: -6.291 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -7.501 flat angles P-C4'-P energy: -3.071 tors. eta vs tors. theta energy: -4.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -49.007365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.007365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.007365 (E_RNA) where: Base-Base interactions energy: -18.322 where: short stacking energy: -18.322 Base-Backbone interact. energy: -0.107 local terms energy: -30.578788 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -7.062 flat angles C4'-P-C4' energy: -7.748 flat angles P-C4'-P energy: -5.543 tors. eta vs tors. theta energy: -3.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -42.199254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.199254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.199254 (E_RNA) where: Base-Base interactions energy: -14.399 where: short stacking energy: -14.399 Base-Backbone interact. energy: -0.081 local terms energy: -27.718701 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -8.138 flat angles P-C4'-P energy: -3.982 tors. eta vs tors. theta energy: -1.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -44.457887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.457887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.457887 (E_RNA) where: Base-Base interactions energy: -15.327 where: short stacking energy: -15.327 Base-Backbone interact. energy: -0.001 local terms energy: -29.129913 where: bonds (distance) C4'-P energy: -6.201 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -5.804 flat angles P-C4'-P energy: -6.105 tors. eta vs tors. theta energy: -3.924 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: 8 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -42.253969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.253969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.253969 (E_RNA) where: Base-Base interactions energy: -12.584 where: short stacking energy: -12.584 Base-Backbone interact. energy: -0.004 local terms energy: -29.665221 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -8.072 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -6.397 tors. eta vs tors. theta energy: -2.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -42.480022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.480022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.480022 (E_RNA) where: Base-Base interactions energy: -11.736 where: short stacking energy: -12.980 Base-Backbone interact. energy: -0.007 local terms energy: -30.737035 where: bonds (distance) C4'-P energy: -7.423 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -6.234 flat angles P-C4'-P energy: -6.992 tors. eta vs tors. theta energy: -2.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -65.614124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.614124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.614124 (E_RNA) where: Base-Base interactions energy: -27.360 where: short stacking energy: -27.360 Base-Backbone interact. energy: -0.085 local terms energy: -38.169582 where: bonds (distance) C4'-P energy: -7.683 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -8.702 flat angles P-C4'-P energy: -6.492 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: 2, replica: 5 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -75.219550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.219550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.219550 (E_RNA) where: Base-Base interactions energy: -36.507 where: short stacking energy: -36.177 Base-Backbone interact. energy: -0.001 local terms energy: -38.711266 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.553 flat angles C4'-P-C4' energy: -7.697 flat angles P-C4'-P energy: -6.560 tors. eta vs tors. theta energy: -8.506 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: 6 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -59.866184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.866184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.866184 (E_RNA) where: Base-Base interactions energy: -25.097 where: short stacking energy: -25.097 Base-Backbone interact. energy: -0.000 local terms energy: -34.769425 where: bonds (distance) C4'-P energy: -4.641 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -7.421 flat angles P-C4'-P energy: -5.909 tors. eta vs tors. theta energy: -7.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -56.856574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.856574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.856574 (E_RNA) where: Base-Base interactions energy: -22.876 where: short stacking energy: -22.876 Base-Backbone interact. energy: -1.267 local terms energy: -32.712919 where: bonds (distance) C4'-P energy: -4.906 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -8.648 flat angles P-C4'-P energy: -5.342 tors. eta vs tors. theta energy: -5.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -55.407506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.407506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.407506 (E_RNA) where: Base-Base interactions energy: -18.635 where: short stacking energy: -18.635 Base-Backbone interact. energy: -0.045 local terms energy: -36.727621 where: bonds (distance) C4'-P energy: -6.963 bonds (distance) P-C4' energy: -8.570 flat angles C4'-P-C4' energy: -8.031 flat angles P-C4'-P energy: -6.223 tors. eta vs tors. theta energy: -6.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -53.353963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.353963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.353963 (E_RNA) where: Base-Base interactions energy: -23.842 where: short stacking energy: -22.681 Base-Backbone interact. energy: -0.041 local terms energy: -29.470737 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -3.197 flat angles P-C4'-P energy: -7.244 tors. eta vs tors. theta energy: -3.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -47.190224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.190224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.190224 (E_RNA) where: Base-Base interactions energy: -20.337 where: short stacking energy: -20.337 Base-Backbone interact. energy: -0.000 local terms energy: -26.853445 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -2.253 flat angles C4'-P-C4' energy: -4.366 flat angles P-C4'-P energy: -4.800 tors. eta vs tors. theta energy: -6.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -40.911717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.911717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.911717 (E_RNA) where: Base-Base interactions energy: -18.656 where: short stacking energy: -17.020 Base-Backbone interact. energy: -0.028 local terms energy: -22.227384 where: bonds (distance) C4'-P energy: -3.331 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -7.539 flat angles P-C4'-P energy: -0.779 tors. eta vs tors. theta energy: -2.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -46.985225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.985225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.985225 (E_RNA) where: Base-Base interactions energy: -21.758 where: short stacking energy: -21.758 Base-Backbone interact. energy: 1.148 local terms energy: -26.374995 where: bonds (distance) C4'-P energy: -4.232 bonds (distance) P-C4' energy: -7.183 flat angles C4'-P-C4' energy: -8.002 flat angles P-C4'-P energy: -4.927 tors. eta vs tors. theta energy: -2.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -38.290670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.290670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.290670 (E_RNA) where: Base-Base interactions energy: -12.142 where: short stacking energy: -12.142 Base-Backbone interact. energy: -0.013 local terms energy: -26.136195 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.855 flat angles C4'-P-C4' energy: -6.286 flat angles P-C4'-P energy: -5.847 tors. eta vs tors. theta energy: -2.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -64.536531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.536531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.536531 (E_RNA) where: Base-Base interactions energy: -27.692 where: short stacking energy: -27.692 Base-Backbone interact. energy: -0.006 local terms energy: -36.837985 where: bonds (distance) C4'-P energy: -7.223 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -8.478 flat angles P-C4'-P energy: -7.006 tors. eta vs tors. theta energy: -6.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -72.140316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.140316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.140316 (E_RNA) where: Base-Base interactions energy: -36.186 where: short stacking energy: -36.186 Base-Backbone interact. energy: -0.000 local terms energy: -35.954306 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -7.135 flat angles C4'-P-C4' energy: -7.601 flat angles P-C4'-P energy: -5.857 tors. eta vs tors. theta energy: -10.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -53.956727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.956727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.956727 (E_RNA) where: Base-Base interactions energy: -24.665 where: short stacking energy: -24.665 Base-Backbone interact. energy: -0.000 local terms energy: -29.291406 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.250 flat angles P-C4'-P energy: -5.010 tors. eta vs tors. theta energy: -5.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -61.652272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.652272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.652272 (E_RNA) where: Base-Base interactions energy: -22.816 where: short stacking energy: -22.816 Base-Backbone interact. energy: -0.000 local terms energy: -38.836275 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -8.394 flat angles P-C4'-P energy: -7.156 tors. eta vs tors. theta energy: -5.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -54.556743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.556743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.556743 (E_RNA) where: Base-Base interactions energy: -18.890 where: short stacking energy: -18.890 Base-Backbone interact. energy: -0.001 local terms energy: -35.665593 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -7.270 flat angles C4'-P-C4' energy: -8.774 flat angles P-C4'-P energy: -6.537 tors. eta vs tors. theta energy: -5.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -48.723632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.723632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.723632 (E_RNA) where: Base-Base interactions energy: -19.711 where: short stacking energy: -18.622 Base-Backbone interact. energy: -0.062 local terms energy: -28.949915 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.943 flat angles P-C4'-P energy: -5.419 tors. eta vs tors. theta energy: -4.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -50.020220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.020220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.020220 (E_RNA) where: Base-Base interactions energy: -18.106 where: short stacking energy: -18.106 Base-Backbone interact. energy: -0.017 local terms energy: -31.897428 where: bonds (distance) C4'-P energy: -7.730 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -7.486 flat angles P-C4'-P energy: -3.213 tors. eta vs tors. theta energy: -5.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -53.627407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.627407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.627407 (E_RNA) where: Base-Base interactions energy: -21.708 where: short stacking energy: -21.708 Base-Backbone interact. energy: -0.009 local terms energy: -31.910404 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -6.709 flat angles C4'-P-C4' energy: -6.216 flat angles P-C4'-P energy: -5.521 tors. eta vs tors. theta energy: -7.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -46.174150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.174150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.174150 (E_RNA) where: Base-Base interactions energy: -20.714 where: short stacking energy: -18.511 Base-Backbone interact. energy: -0.118 local terms energy: -25.342026 where: bonds (distance) C4'-P energy: -7.323 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -3.363 flat angles P-C4'-P energy: -3.529 tors. eta vs tors. theta energy: -2.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -43.712782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.712782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.712782 (E_RNA) where: Base-Base interactions energy: -15.123 where: short stacking energy: -11.376 Base-Backbone interact. energy: -0.012 local terms energy: -28.577386 where: bonds (distance) C4'-P energy: -4.383 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.096 flat angles P-C4'-P energy: -4.159 tors. eta vs tors. theta energy: -5.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -73.752752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.752752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.752752 (E_RNA) where: Base-Base interactions energy: -34.888 where: short stacking energy: -34.888 Base-Backbone interact. energy: -0.000 local terms energy: -38.864862 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -8.374 flat angles P-C4'-P energy: -5.160 tors. eta vs tors. theta energy: -8.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -61.228062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.228062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.228062 (E_RNA) where: Base-Base interactions energy: -21.632 where: short stacking energy: -21.632 Base-Backbone interact. energy: -0.003 local terms energy: -39.592833 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.062 flat angles P-C4'-P energy: -6.243 tors. eta vs tors. theta energy: -8.864 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: 5 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -69.211189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.211189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.211189 (E_RNA) where: Base-Base interactions energy: -34.995 where: short stacking energy: -26.005 Base-Backbone interact. energy: -0.000 local terms energy: -34.215809 where: bonds (distance) C4'-P energy: -5.821 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -7.494 flat angles P-C4'-P energy: -7.059 tors. eta vs tors. theta energy: -6.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -55.290129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.290129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.290129 (E_RNA) where: Base-Base interactions energy: -22.097 where: short stacking energy: -21.480 Base-Backbone interact. energy: -0.026 local terms energy: -33.167468 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -7.512 flat angles P-C4'-P energy: -3.308 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: 5, replica: 1 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -59.633178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.633178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.633178 (E_RNA) where: Base-Base interactions energy: -28.555 where: short stacking energy: -17.559 Base-Backbone interact. energy: -0.240 local terms energy: -30.837735 where: bonds (distance) C4'-P energy: -5.386 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.947 flat angles P-C4'-P energy: -5.073 tors. eta vs tors. theta energy: -3.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -49.845741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.845741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.845741 (E_RNA) where: Base-Base interactions energy: -21.598 where: short stacking energy: -21.598 Base-Backbone interact. energy: -0.000 local terms energy: -28.247737 where: bonds (distance) C4'-P energy: -6.370 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -4.187 flat angles P-C4'-P energy: -4.836 tors. eta vs tors. theta energy: -6.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -47.195207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.195207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.195207 (E_RNA) where: Base-Base interactions energy: -18.852 where: short stacking energy: -18.852 Base-Backbone interact. energy: -0.020 local terms energy: -28.323249 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -6.334 flat angles P-C4'-P energy: -4.424 tors. eta vs tors. theta energy: -2.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -41.059999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.059999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.059999 (E_RNA) where: Base-Base interactions energy: -17.266 where: short stacking energy: -17.266 Base-Backbone interact. energy: -0.065 local terms energy: -23.728896 where: bonds (distance) C4'-P energy: -3.816 bonds (distance) P-C4' energy: -7.296 flat angles C4'-P-C4' energy: -5.345 flat angles P-C4'-P energy: -7.173 tors. eta vs tors. theta energy: -0.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -47.224359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.224359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.224359 (E_RNA) where: Base-Base interactions energy: -19.276 where: short stacking energy: -19.276 Base-Backbone interact. energy: -0.006 local terms energy: -27.942711 where: bonds (distance) C4'-P energy: -4.836 bonds (distance) P-C4' energy: -6.063 flat angles C4'-P-C4' energy: -5.442 flat angles P-C4'-P energy: -3.583 tors. eta vs tors. theta energy: -8.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -40.217369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.217369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.217369 (E_RNA) where: Base-Base interactions energy: -14.542 where: short stacking energy: -14.542 Base-Backbone interact. energy: -0.005 local terms energy: -25.670041 where: bonds (distance) C4'-P energy: -6.488 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -5.639 flat angles P-C4'-P energy: -5.059 tors. eta vs tors. theta energy: -1.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -69.798807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.798807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.798807 (E_RNA) where: Base-Base interactions energy: -29.757 where: short stacking energy: -29.757 Base-Backbone interact. energy: -0.000 local terms energy: -40.041761 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.431 flat angles P-C4'-P energy: -6.355 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: 2, replica: 6 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -50.276391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.276391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.276391 (E_RNA) where: Base-Base interactions energy: -19.526 where: short stacking energy: -18.237 Base-Backbone interact. energy: -0.006 local terms energy: -30.744820 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -7.495 flat angles C4'-P-C4' energy: -7.460 flat angles P-C4'-P energy: -3.035 tors. eta vs tors. theta energy: -4.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -61.314466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.314466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.314466 (E_RNA) where: Base-Base interactions energy: -29.476 where: short stacking energy: -29.476 Base-Backbone interact. energy: -0.000 local terms energy: -31.837570 where: bonds (distance) C4'-P energy: -6.747 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -8.039 flat angles P-C4'-P energy: -5.180 tors. eta vs tors. theta energy: -4.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -63.989684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.989684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.989684 (E_RNA) where: Base-Base interactions energy: -32.109 where: short stacking energy: -20.273 Base-Backbone interact. energy: -0.000 local terms energy: -31.880944 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -8.452 flat angles P-C4'-P energy: -3.800 tors. eta vs tors. theta energy: -5.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -59.002414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.002414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.002414 (E_RNA) where: Base-Base interactions energy: -20.900 where: short stacking energy: -20.900 Base-Backbone interact. energy: -0.000 local terms energy: -38.101799 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -8.705 flat angles P-C4'-P energy: -6.406 tors. eta vs tors. theta energy: -7.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -47.983330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.983330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.983330 (E_RNA) where: Base-Base interactions energy: -14.696 where: short stacking energy: -13.742 Base-Backbone interact. energy: -0.071 local terms energy: -33.216197 where: bonds (distance) C4'-P energy: -6.999 bonds (distance) P-C4' energy: -7.947 flat angles C4'-P-C4' energy: -8.954 flat angles P-C4'-P energy: -5.556 tors. eta vs tors. theta energy: -3.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -46.895389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.895389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.895389 (E_RNA) where: Base-Base interactions energy: -18.700 where: short stacking energy: -16.285 Base-Backbone interact. energy: -0.012 local terms energy: -28.183546 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.340 flat angles P-C4'-P energy: -4.018 tors. eta vs tors. theta energy: -2.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -48.529249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.529249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.529249 (E_RNA) where: Base-Base interactions energy: -18.276 where: short stacking energy: -18.276 Base-Backbone interact. energy: -0.076 local terms energy: -30.177121 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -5.996 flat angles P-C4'-P energy: -3.949 tors. eta vs tors. theta energy: -4.073 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: 2 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -50.671322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.671322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.671322 (E_RNA) where: Base-Base interactions energy: -23.056 where: short stacking energy: -13.594 Base-Backbone interact. energy: -0.075 local terms energy: -27.539854 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -7.389 flat angles C4'-P-C4' energy: -4.958 flat angles P-C4'-P energy: -4.593 tors. eta vs tors. theta energy: -2.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -39.853465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.853465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.853465 (E_RNA) where: Base-Base interactions energy: -13.520 where: short stacking energy: -13.520 Base-Backbone interact. energy: -0.043 local terms energy: -26.290072 where: bonds (distance) C4'-P energy: -5.485 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -8.342 flat angles P-C4'-P energy: -3.101 tors. eta vs tors. theta energy: -1.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -72.675604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.675604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.675604 (E_RNA) where: Base-Base interactions energy: -30.846 where: short stacking energy: -30.846 Base-Backbone interact. energy: -0.000 local terms energy: -41.829369 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -8.359 flat angles P-C4'-P energy: -6.256 tors. eta vs tors. theta energy: -9.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -75.317574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.317574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.317574 (E_RNA) where: Base-Base interactions energy: -40.638 where: short stacking energy: -29.103 Base-Backbone interact. energy: -0.014 local terms energy: -34.666232 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -8.101 flat angles P-C4'-P energy: -5.975 tors. eta vs tors. theta energy: -5.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -73.376513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.376513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.376513 (E_RNA) where: Base-Base interactions energy: -38.393 where: short stacking energy: -24.485 Base-Backbone interact. energy: -0.021 local terms energy: -34.962420 where: bonds (distance) C4'-P energy: -7.328 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -7.137 flat angles P-C4'-P energy: -4.909 tors. eta vs tors. theta energy: -7.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -56.491916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.491916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.491916 (E_RNA) where: Base-Base interactions energy: -24.896 where: short stacking energy: -23.703 Base-Backbone interact. energy: -0.000 local terms energy: -31.595233 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -6.330 flat angles P-C4'-P energy: -2.426 tors. eta vs tors. theta energy: -7.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -63.016434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.016434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.016434 (E_RNA) where: Base-Base interactions energy: -27.492 where: short stacking energy: -27.492 Base-Backbone interact. energy: -0.000 local terms energy: -35.524801 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.267 flat angles P-C4'-P energy: -3.901 tors. eta vs tors. theta energy: -7.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -45.674378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.674378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.674378 (E_RNA) where: Base-Base interactions energy: -16.334 where: short stacking energy: -12.361 Base-Backbone interact. energy: -0.057 local terms energy: -29.283455 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -5.078 flat angles P-C4'-P energy: -1.555 tors. eta vs tors. theta energy: -4.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -54.243060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.243060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.243060 (E_RNA) where: Base-Base interactions energy: -22.032 where: short stacking energy: -22.032 Base-Backbone interact. energy: -0.006 local terms energy: -32.204891 where: bonds (distance) C4'-P energy: -6.201 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -8.514 flat angles P-C4'-P energy: -4.734 tors. eta vs tors. theta energy: -3.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -42.650917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.650917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.650917 (E_RNA) where: Base-Base interactions energy: -11.922 where: short stacking energy: -11.922 Base-Backbone interact. energy: 0.632 local terms energy: -31.361551 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.660 flat angles P-C4'-P energy: -3.903 tors. eta vs tors. theta energy: -1.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -47.354667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.354667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.354667 (E_RNA) where: Base-Base interactions energy: -21.061 where: short stacking energy: -21.061 Base-Backbone interact. energy: -0.002 local terms energy: -26.291351 where: bonds (distance) C4'-P energy: -6.793 bonds (distance) P-C4' energy: -5.053 flat angles C4'-P-C4' energy: -5.798 flat angles P-C4'-P energy: -3.409 tors. eta vs tors. theta energy: -5.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -57.553384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.553384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.553384 (E_RNA) where: Base-Base interactions energy: -25.059 where: short stacking energy: -22.350 Base-Backbone interact. energy: -0.006 local terms energy: -32.488749 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -6.595 flat angles P-C4'-P energy: -4.778 tors. eta vs tors. theta energy: -6.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -63.276327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.276327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.276327 (E_RNA) where: Base-Base interactions energy: -27.435 where: short stacking energy: -27.435 Base-Backbone interact. energy: -0.000 local terms energy: -35.841229 where: bonds (distance) C4'-P energy: -6.193 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -8.450 flat angles P-C4'-P energy: -6.612 tors. eta vs tors. theta energy: -7.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -84.473026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.473026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.473026 (E_RNA) where: Base-Base interactions energy: -46.057 where: short stacking energy: -30.848 Base-Backbone interact. energy: -0.504 local terms energy: -37.912425 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -8.373 flat angles P-C4'-P energy: -5.373 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: 3, replica: 6 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -57.012167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.012167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.012167 (E_RNA) where: Base-Base interactions energy: -27.449 where: short stacking energy: -23.955 Base-Backbone interact. energy: -0.001 local terms energy: -29.562168 where: bonds (distance) C4'-P energy: -6.457 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -6.782 flat angles P-C4'-P energy: -4.036 tors. eta vs tors. theta energy: -3.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -53.687613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.687613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.687613 (E_RNA) where: Base-Base interactions energy: -21.312 where: short stacking energy: -21.312 Base-Backbone interact. energy: -0.007 local terms energy: -32.369031 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -6.275 flat angles P-C4'-P energy: -7.350 tors. eta vs tors. theta energy: -3.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -54.189842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.189842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.189842 (E_RNA) where: Base-Base interactions energy: -21.861 where: short stacking energy: -21.861 Base-Backbone interact. energy: -0.024 local terms energy: -32.304472 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -8.085 flat angles P-C4'-P energy: -3.655 tors. eta vs tors. theta energy: -4.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -55.723860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.723860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.723860 (E_RNA) where: Base-Base interactions energy: -23.090 where: short stacking energy: -18.624 Base-Backbone interact. energy: -0.001 local terms energy: -32.633546 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -6.488 flat angles P-C4'-P energy: -3.893 tors. eta vs tors. theta energy: -8.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -49.688691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.688691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.688691 (E_RNA) where: Base-Base interactions energy: -22.299 where: short stacking energy: -19.699 Base-Backbone interact. energy: -0.244 local terms energy: -27.145030 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -5.278 flat angles P-C4'-P energy: -2.603 tors. eta vs tors. theta energy: -2.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -48.180060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.180060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.180060 (E_RNA) where: Base-Base interactions energy: -15.063 where: short stacking energy: -15.063 Base-Backbone interact. energy: -0.003 local terms energy: -33.114083 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -5.872 flat angles P-C4'-P energy: -6.368 tors. eta vs tors. theta energy: -3.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -44.008750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.008750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.008750 (E_RNA) where: Base-Base interactions energy: -16.337 where: short stacking energy: -16.337 Base-Backbone interact. energy: -0.002 local terms energy: -27.669675 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -4.555 flat angles P-C4'-P energy: -4.649 tors. eta vs tors. theta energy: -1.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -40.751087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.751087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.751087 (E_RNA) where: Base-Base interactions energy: -14.381 where: short stacking energy: -13.196 Base-Backbone interact. energy: -0.102 local terms energy: -26.268438 where: bonds (distance) C4'-P energy: -4.658 bonds (distance) P-C4' energy: -8.563 flat angles C4'-P-C4' energy: -7.915 flat angles P-C4'-P energy: -5.818 tors. eta vs tors. theta energy: 0.685 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: 1 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -75.064198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.064198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.064198 (E_RNA) where: Base-Base interactions energy: -33.578 where: short stacking energy: -31.496 Base-Backbone interact. energy: -0.000 local terms energy: -41.485429 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.076 flat angles P-C4'-P energy: -5.097 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: 2, replica: 3 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -63.430336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.430336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.430336 (E_RNA) where: Base-Base interactions energy: -30.348 where: short stacking energy: -30.348 Base-Backbone interact. energy: -0.000 local terms energy: -33.081778 where: bonds (distance) C4'-P energy: -3.531 bonds (distance) P-C4' energy: -7.076 flat angles C4'-P-C4' energy: -8.009 flat angles P-C4'-P energy: -5.929 tors. eta vs tors. theta energy: -8.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -53.833736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.833736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.833736 (E_RNA) where: Base-Base interactions energy: -23.658 where: short stacking energy: -23.501 Base-Backbone interact. energy: -0.001 local terms energy: -30.174975 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -6.823 flat angles P-C4'-P energy: -4.517 tors. eta vs tors. theta energy: -3.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -60.270502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.270502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.270502 (E_RNA) where: Base-Base interactions energy: -24.556 where: short stacking energy: -24.556 Base-Backbone interact. energy: -0.011 local terms energy: -35.702938 where: bonds (distance) C4'-P energy: -6.300 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -7.937 flat angles P-C4'-P energy: -5.389 tors. eta vs tors. theta energy: -8.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -57.111075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.111075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.111075 (E_RNA) where: Base-Base interactions energy: -26.085 where: short stacking energy: -20.447 Base-Backbone interact. energy: -0.104 local terms energy: -30.922705 where: bonds (distance) C4'-P energy: -6.893 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -7.284 flat angles P-C4'-P energy: -5.160 tors. eta vs tors. theta energy: -3.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -45.168363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.168363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.168363 (E_RNA) where: Base-Base interactions energy: -19.251 where: short stacking energy: -15.252 Base-Backbone interact. energy: 0.434 local terms energy: -26.351229 where: bonds (distance) C4'-P energy: -6.976 bonds (distance) P-C4' energy: -6.449 flat angles C4'-P-C4' energy: -6.082 flat angles P-C4'-P energy: -4.951 tors. eta vs tors. theta energy: -1.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -46.860920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.860920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.860920 (E_RNA) where: Base-Base interactions energy: -16.527 where: short stacking energy: -16.527 Base-Backbone interact. energy: 0.225 local terms energy: -30.559275 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -7.315 flat angles P-C4'-P energy: -4.848 tors. eta vs tors. theta energy: -4.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -41.208656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.208656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.208656 (E_RNA) where: Base-Base interactions energy: -16.476 where: short stacking energy: -16.476 Base-Backbone interact. energy: -0.082 local terms energy: -24.650151 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -3.466 flat angles P-C4'-P energy: -5.731 tors. eta vs tors. theta energy: 1.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -38.220497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.220497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.220497 (E_RNA) where: Base-Base interactions energy: -9.213 where: short stacking energy: -9.213 Base-Backbone interact. energy: -0.033 local terms energy: -28.974592 where: bonds (distance) C4'-P energy: -8.954 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -5.913 flat angles P-C4'-P energy: -3.519 tors. eta vs tors. theta energy: -2.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -47.937912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.937912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.937912 (E_RNA) where: Base-Base interactions energy: -18.131 where: short stacking energy: -18.131 Base-Backbone interact. energy: -0.535 local terms energy: -29.272419 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.420 flat angles P-C4'-P energy: -4.561 tors. eta vs tors. theta energy: -2.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -70.838246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.838246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.838246 (E_RNA) where: Base-Base interactions energy: -33.048 where: short stacking energy: -25.941 Base-Backbone interact. energy: -0.001 local terms energy: -37.789199 where: bonds (distance) C4'-P energy: -8.714 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -6.970 flat angles P-C4'-P energy: -4.789 tors. eta vs tors. theta energy: -9.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -61.980950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.980950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.980950 (E_RNA) where: Base-Base interactions energy: -27.088 where: short stacking energy: -27.088 Base-Backbone interact. energy: -0.092 local terms energy: -34.800969 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -9.051 flat angles P-C4'-P energy: -3.448 tors. eta vs tors. theta energy: -7.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -57.074593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.074593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.074593 (E_RNA) where: Base-Base interactions energy: -31.291 where: short stacking energy: -18.921 Base-Backbone interact. energy: -0.701 local terms energy: -25.082210 where: bonds (distance) C4'-P energy: -4.246 bonds (distance) P-C4' energy: -6.585 flat angles C4'-P-C4' energy: -4.947 flat angles P-C4'-P energy: -7.222 tors. eta vs tors. theta energy: -2.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -53.250565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.250565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.250565 (E_RNA) where: Base-Base interactions energy: -21.285 where: short stacking energy: -21.285 Base-Backbone interact. energy: 0.866 local terms energy: -32.831663 where: bonds (distance) C4'-P energy: -7.969 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -7.839 flat angles P-C4'-P energy: -5.021 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: 5, replica: 6 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -47.188287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.188287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.188287 (E_RNA) where: Base-Base interactions energy: -13.878 where: short stacking energy: -13.878 Base-Backbone interact. energy: -0.051 local terms energy: -33.258942 where: bonds (distance) C4'-P energy: -6.798 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.908 flat angles P-C4'-P energy: -6.349 tors. eta vs tors. theta energy: -2.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -50.316210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.316210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.316210 (E_RNA) where: Base-Base interactions energy: -19.959 where: short stacking energy: -19.959 Base-Backbone interact. energy: -0.044 local terms energy: -30.312787 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -5.926 flat angles P-C4'-P energy: -5.595 tors. eta vs tors. theta energy: -2.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -48.797185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.797185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.797185 (E_RNA) where: Base-Base interactions energy: -17.639 where: short stacking energy: -13.795 Base-Backbone interact. energy: -1.021 local terms energy: -30.137374 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -5.566 flat angles P-C4'-P energy: -5.474 tors. eta vs tors. theta energy: -2.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -48.697930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.697930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.697930 (E_RNA) where: Base-Base interactions energy: -27.014 where: short stacking energy: -16.690 Base-Backbone interact. energy: -0.019 local terms energy: -21.664935 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -5.710 flat angles C4'-P-C4' energy: -7.374 flat angles P-C4'-P energy: -1.100 tors. eta vs tors. theta energy: -0.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -38.907434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.907434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.907434 (E_RNA) where: Base-Base interactions energy: -10.070 where: short stacking energy: -10.070 Base-Backbone interact. energy: -0.092 local terms energy: -28.745004 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -7.881 flat angles P-C4'-P energy: -3.628 tors. eta vs tors. theta energy: -0.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -36.613264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.613264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.613264 (E_RNA) where: Base-Base interactions energy: -10.161 where: short stacking energy: -10.161 Base-Backbone interact. energy: -0.001 local terms energy: -26.450628 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.565 flat angles P-C4'-P energy: -4.618 tors. eta vs tors. theta energy: -1.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -63.744851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.744851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.744851 (E_RNA) where: Base-Base interactions energy: -28.691 where: short stacking energy: -28.691 Base-Backbone interact. energy: -0.000 local terms energy: -35.053413 where: bonds (distance) C4'-P energy: -7.683 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -7.054 flat angles P-C4'-P energy: -7.002 tors. eta vs tors. theta energy: -5.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -59.320021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.320021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.320021 (E_RNA) where: Base-Base interactions energy: -25.705 where: short stacking energy: -25.705 Base-Backbone interact. energy: -0.001 local terms energy: -33.614303 where: bonds (distance) C4'-P energy: -7.485 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.934 flat angles P-C4'-P energy: -5.716 tors. eta vs tors. theta energy: -4.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -58.785542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.785542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.785542 (E_RNA) where: Base-Base interactions energy: -28.189 where: short stacking energy: -28.189 Base-Backbone interact. energy: -0.001 local terms energy: -30.595948 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -4.713 flat angles P-C4'-P energy: -4.001 tors. eta vs tors. theta energy: -7.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -54.854694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.854694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.854694 (E_RNA) where: Base-Base interactions energy: -25.278 where: short stacking energy: -16.951 Base-Backbone interact. energy: -0.001 local terms energy: -29.575370 where: bonds (distance) C4'-P energy: -4.762 bonds (distance) P-C4' energy: -7.492 flat angles C4'-P-C4' energy: -7.792 flat angles P-C4'-P energy: -5.386 tors. eta vs tors. theta energy: -4.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -46.227564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.227564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.227564 (E_RNA) where: Base-Base interactions energy: -17.557 where: short stacking energy: -17.557 Base-Backbone interact. energy: -0.100 local terms energy: -28.570733 where: bonds (distance) C4'-P energy: -6.015 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -9.603 flat angles P-C4'-P energy: -5.032 tors. eta vs tors. theta energy: -0.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -45.957430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.957430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.957430 (E_RNA) where: Base-Base interactions energy: -13.367 where: short stacking energy: -13.367 Base-Backbone interact. energy: -0.043 local terms energy: -32.548111 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -7.450 flat angles P-C4'-P energy: -5.017 tors. eta vs tors. theta energy: -3.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -43.808247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.808247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.808247 (E_RNA) where: Base-Base interactions energy: -15.941 where: short stacking energy: -15.941 Base-Backbone interact. energy: -0.005 local terms energy: -27.862703 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -7.318 flat angles P-C4'-P energy: -3.628 tors. eta vs tors. theta energy: -0.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -44.570181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.570181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.570181 (E_RNA) where: Base-Base interactions energy: -16.572 where: short stacking energy: -16.572 Base-Backbone interact. energy: -0.039 local terms energy: -27.959580 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -5.269 flat angles C4'-P-C4' energy: -6.375 flat angles P-C4'-P energy: -3.704 tors. eta vs tors. theta energy: -4.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -46.521214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.521214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.521214 (E_RNA) where: Base-Base interactions energy: -17.192 where: short stacking energy: -17.192 Base-Backbone interact. energy: -0.009 local terms energy: -29.320666 where: bonds (distance) C4'-P energy: -6.852 bonds (distance) P-C4' energy: -8.091 flat angles C4'-P-C4' energy: -3.191 flat angles P-C4'-P energy: -4.660 tors. eta vs tors. theta energy: -6.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -39.201900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.201900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.201900 (E_RNA) where: Base-Base interactions energy: -12.895 where: short stacking energy: -12.895 Base-Backbone interact. energy: -0.000 local terms energy: -26.306993 where: bonds (distance) C4'-P energy: -7.214 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -6.683 flat angles P-C4'-P energy: -3.967 tors. eta vs tors. theta energy: -0.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -64.400044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.400044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.400044 (E_RNA) where: Base-Base interactions energy: -32.121 where: short stacking energy: -26.570 Base-Backbone interact. energy: -0.041 local terms energy: -32.238024 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -8.320 flat angles P-C4'-P energy: -3.838 tors. eta vs tors. theta energy: -5.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -59.631121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.631121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.631121 (E_RNA) where: Base-Base interactions energy: -26.501 where: short stacking energy: -26.501 Base-Backbone interact. energy: -0.000 local terms energy: -33.129435 where: bonds (distance) C4'-P energy: -5.787 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -6.855 flat angles P-C4'-P energy: -6.364 tors. eta vs tors. theta energy: -5.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -60.042387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.042387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.042387 (E_RNA) where: Base-Base interactions energy: -23.323 where: short stacking energy: -23.323 Base-Backbone interact. energy: -0.000 local terms energy: -36.719069 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -7.749 flat angles P-C4'-P energy: -6.249 tors. eta vs tors. theta energy: -7.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -56.279820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.279820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.279820 (E_RNA) where: Base-Base interactions energy: -24.775 where: short stacking energy: -15.974 Base-Backbone interact. energy: -1.071 local terms energy: -30.434238 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -7.677 flat angles C4'-P-C4' energy: -6.002 flat angles P-C4'-P energy: -6.167 tors. eta vs tors. theta energy: -2.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -63.589849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.589849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.589849 (E_RNA) where: Base-Base interactions energy: -25.856 where: short stacking energy: -25.856 Base-Backbone interact. energy: -0.000 local terms energy: -37.733417 where: bonds (distance) C4'-P energy: -6.226 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -7.747 flat angles P-C4'-P energy: -4.270 tors. eta vs tors. theta energy: -10.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -56.515065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.515065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.515065 (E_RNA) where: Base-Base interactions energy: -25.434 where: short stacking energy: -25.434 Base-Backbone interact. energy: -0.060 local terms energy: -31.020899 where: bonds (distance) C4'-P energy: -6.843 bonds (distance) P-C4' energy: -8.121 flat angles C4'-P-C4' energy: -5.840 flat angles P-C4'-P energy: -6.292 tors. eta vs tors. theta energy: -3.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -46.725078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.725078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.725078 (E_RNA) where: Base-Base interactions energy: -19.710 where: short stacking energy: -18.549 Base-Backbone interact. energy: -0.150 local terms energy: -26.864975 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -5.725 flat angles P-C4'-P energy: -3.303 tors. eta vs tors. theta energy: -2.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -51.646417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.646417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.646417 (E_RNA) where: Base-Base interactions energy: -19.888 where: short stacking energy: -19.888 Base-Backbone interact. energy: -0.021 local terms energy: -31.737135 where: bonds (distance) C4'-P energy: -3.076 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -7.220 flat angles P-C4'-P energy: -6.549 tors. eta vs tors. theta energy: -6.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -45.341804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.341804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.341804 (E_RNA) where: Base-Base interactions energy: -16.230 where: short stacking energy: -16.230 Base-Backbone interact. energy: -0.801 local terms energy: -28.310293 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -7.940 flat angles P-C4'-P energy: -5.315 tors. eta vs tors. theta energy: 1.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -43.557566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.557566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.557566 (E_RNA) where: Base-Base interactions energy: -16.045 where: short stacking energy: -14.295 Base-Backbone interact. energy: -0.069 local terms energy: -27.443151 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -5.751 flat angles C4'-P-C4' energy: -6.801 flat angles P-C4'-P energy: -3.942 tors. eta vs tors. theta energy: -4.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -70.800495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.800495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.800495 (E_RNA) where: Base-Base interactions energy: -35.058 where: short stacking energy: -22.686 Base-Backbone interact. energy: -0.049 local terms energy: -35.693014 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.282 flat angles P-C4'-P energy: -5.608 tors. eta vs tors. theta energy: -6.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -62.459643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.459643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.459643 (E_RNA) where: Base-Base interactions energy: -28.258 where: short stacking energy: -28.258 Base-Backbone interact. energy: -0.000 local terms energy: -34.201260 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -6.778 flat angles C4'-P-C4' energy: -8.065 flat angles P-C4'-P energy: -6.005 tors. eta vs tors. theta energy: -6.246 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: 4 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -64.627881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.627881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.627881 (E_RNA) where: Base-Base interactions energy: -25.198 where: short stacking energy: -25.198 Base-Backbone interact. energy: -0.000 local terms energy: -39.430275 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -7.836 flat angles C4'-P-C4' energy: -8.846 flat angles P-C4'-P energy: -5.250 tors. eta vs tors. theta energy: -9.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -63.724059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.724059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.724059 (E_RNA) where: Base-Base interactions energy: -29.191 where: short stacking energy: -25.311 Base-Backbone interact. energy: -0.086 local terms energy: -34.446903 where: bonds (distance) C4'-P energy: -6.681 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -6.928 flat angles P-C4'-P energy: -5.432 tors. eta vs tors. theta energy: -7.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -53.231737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.231737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.231737 (E_RNA) where: Base-Base interactions energy: -17.374 where: short stacking energy: -17.374 Base-Backbone interact. energy: -0.008 local terms energy: -35.849775 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.125 flat angles C4'-P-C4' energy: -8.032 flat angles P-C4'-P energy: -4.711 tors. eta vs tors. theta energy: -6.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -49.691066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.691066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.691066 (E_RNA) where: Base-Base interactions energy: -20.611 where: short stacking energy: -20.611 Base-Backbone interact. energy: -0.006 local terms energy: -29.074006 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -6.713 flat angles C4'-P-C4' energy: -6.157 flat angles P-C4'-P energy: -4.360 tors. eta vs tors. theta energy: -4.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -50.990747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.990747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.990747 (E_RNA) where: Base-Base interactions energy: -19.620 where: short stacking energy: -19.620 Base-Backbone interact. energy: -0.072 local terms energy: -31.298534 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -6.211 flat angles P-C4'-P energy: -5.464 tors. eta vs tors. theta energy: -3.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -41.288730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.288730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.288730 (E_RNA) where: Base-Base interactions energy: -17.027 where: short stacking energy: -17.027 Base-Backbone interact. energy: -0.169 local terms energy: -24.093167 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -7.091 flat angles C4'-P-C4' energy: -4.386 flat angles P-C4'-P energy: -3.349 tors. eta vs tors. theta energy: -0.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -42.947982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.947982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.947982 (E_RNA) where: Base-Base interactions energy: -10.683 where: short stacking energy: -10.683 Base-Backbone interact. energy: -0.080 local terms energy: -32.185618 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -7.326 flat angles P-C4'-P energy: -5.971 tors. eta vs tors. theta energy: -2.431 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: 2 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -43.815051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.815051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.815051 (E_RNA) where: Base-Base interactions energy: -12.948 where: short stacking energy: -12.948 Base-Backbone interact. energy: -0.113 local terms energy: -30.753855 where: bonds (distance) C4'-P energy: -6.019 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.826 flat angles P-C4'-P energy: -5.359 tors. eta vs tors. theta energy: -2.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -73.421553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.421553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.421553 (E_RNA) where: Base-Base interactions energy: -32.913 where: short stacking energy: -30.260 Base-Backbone interact. energy: -0.000 local terms energy: -40.508244 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.623 flat angles P-C4'-P energy: -7.375 tors. eta vs tors. theta energy: -8.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -60.366716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.366716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.366716 (E_RNA) where: Base-Base interactions energy: -23.903 where: short stacking energy: -23.903 Base-Backbone interact. energy: -0.000 local terms energy: -36.464069 where: bonds (distance) C4'-P energy: -7.137 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -7.269 flat angles P-C4'-P energy: -4.788 tors. eta vs tors. theta energy: -7.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -71.821162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.821162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.821162 (E_RNA) where: Base-Base interactions energy: -32.819 where: short stacking energy: -32.819 Base-Backbone interact. energy: -0.000 local terms energy: -39.001701 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -7.412 flat angles P-C4'-P energy: -6.184 tors. eta vs tors. theta energy: -8.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -55.262855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.262855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.262855 (E_RNA) where: Base-Base interactions energy: -24.968 where: short stacking energy: -24.968 Base-Backbone interact. energy: -0.015 local terms energy: -30.280228 where: bonds (distance) C4'-P energy: -6.681 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -5.179 flat angles P-C4'-P energy: -2.001 tors. eta vs tors. theta energy: -7.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -70.924038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.924038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.924038 (E_RNA) where: Base-Base interactions energy: -38.741 where: short stacking energy: -26.570 Base-Backbone interact. energy: -0.000 local terms energy: -32.182241 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.579 flat angles P-C4'-P energy: -3.989 tors. eta vs tors. theta energy: -5.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -55.701141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.701141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.701141 (E_RNA) where: Base-Base interactions energy: -29.667 where: short stacking energy: -11.693 Base-Backbone interact. energy: -0.020 local terms energy: -26.014053 where: bonds (distance) C4'-P energy: -5.124 bonds (distance) P-C4' energy: -7.646 flat angles C4'-P-C4' energy: -7.679 flat angles P-C4'-P energy: -4.798 tors. eta vs tors. theta energy: -0.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -44.039619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.039619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.039619 (E_RNA) where: Base-Base interactions energy: -20.887 where: short stacking energy: -9.739 Base-Backbone interact. energy: 1.537 local terms energy: -24.689772 where: bonds (distance) C4'-P energy: -8.420 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -4.387 flat angles P-C4'-P energy: -5.878 tors. eta vs tors. theta energy: 3.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -49.315688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.315688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.315688 (E_RNA) where: Base-Base interactions energy: -26.008 where: short stacking energy: -12.829 Base-Backbone interact. energy: -0.335 local terms energy: -22.973233 where: bonds (distance) C4'-P energy: -6.372 bonds (distance) P-C4' energy: -5.688 flat angles C4'-P-C4' energy: -7.919 flat angles P-C4'-P energy: -0.287 tors. eta vs tors. theta energy: -2.707 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: 8 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -47.906926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.906926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.906926 (E_RNA) where: Base-Base interactions energy: -18.876 where: short stacking energy: -18.876 Base-Backbone interact. energy: -0.000 local terms energy: -29.030577 where: bonds (distance) C4'-P energy: -5.390 bonds (distance) P-C4' energy: -3.616 flat angles C4'-P-C4' energy: -7.645 flat angles P-C4'-P energy: -6.680 tors. eta vs tors. theta energy: -5.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -38.334849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.334849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.334849 (E_RNA) where: Base-Base interactions energy: -11.802 where: short stacking energy: -11.802 Base-Backbone interact. energy: -0.004 local terms energy: -26.529140 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -3.066 flat angles P-C4'-P energy: -5.822 tors. eta vs tors. theta energy: -1.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -77.557937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.557937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.557937 (E_RNA) where: Base-Base interactions energy: -39.535 where: short stacking energy: -36.002 Base-Backbone interact. energy: -0.000 local terms energy: -38.023023 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -7.964 flat angles P-C4'-P energy: -6.678 tors. eta vs tors. theta energy: -8.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -54.006002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.006002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.006002 (E_RNA) where: Base-Base interactions energy: -17.881 where: short stacking energy: -14.723 Base-Backbone interact. energy: -0.693 local terms energy: -35.431931 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.619 flat angles P-C4'-P energy: -7.278 tors. eta vs tors. theta energy: -2.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -58.701744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.701744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.701744 (E_RNA) where: Base-Base interactions energy: -23.213 where: short stacking energy: -23.213 Base-Backbone interact. energy: -0.011 local terms energy: -35.477722 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -8.097 flat angles C4'-P-C4' energy: -8.625 flat angles P-C4'-P energy: -5.301 tors. eta vs tors. theta energy: -5.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -52.381386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.381386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.381386 (E_RNA) where: Base-Base interactions energy: -23.707 where: short stacking energy: -16.856 Base-Backbone interact. energy: -0.008 local terms energy: -28.666311 where: bonds (distance) C4'-P energy: -5.693 bonds (distance) P-C4' energy: -6.834 flat angles C4'-P-C4' energy: -6.768 flat angles P-C4'-P energy: -4.061 tors. eta vs tors. theta energy: -5.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -48.352254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.352254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.352254 (E_RNA) where: Base-Base interactions energy: -17.382 where: short stacking energy: -17.382 Base-Backbone interact. energy: -0.078 local terms energy: -30.892509 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.445 flat angles P-C4'-P energy: -5.950 tors. eta vs tors. theta energy: -2.431 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: 3 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -51.756024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.756024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.756024 (E_RNA) where: Base-Base interactions energy: -19.921 where: short stacking energy: -19.921 Base-Backbone interact. energy: -0.099 local terms energy: -31.735839 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -6.158 flat angles P-C4'-P energy: -4.529 tors. eta vs tors. theta energy: -4.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -41.975709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.975709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.975709 (E_RNA) where: Base-Base interactions energy: -13.034 where: short stacking energy: -13.034 Base-Backbone interact. energy: -0.012 local terms energy: -28.929361 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -7.533 flat angles C4'-P-C4' energy: -7.568 flat angles P-C4'-P energy: -5.312 tors. eta vs tors. theta energy: -2.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -43.357351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.357351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.357351 (E_RNA) where: Base-Base interactions energy: -14.629 where: short stacking energy: -14.629 Base-Backbone interact. energy: -0.010 local terms energy: -28.718041 where: bonds (distance) C4'-P energy: -6.202 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.086 flat angles P-C4'-P energy: -6.073 tors. eta vs tors. theta energy: -1.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -40.814032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.814032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.814032 (E_RNA) where: Base-Base interactions energy: -13.090 where: short stacking energy: -13.090 Base-Backbone interact. energy: -0.002 local terms energy: -27.722359 where: bonds (distance) C4'-P energy: -5.935 bonds (distance) P-C4' energy: -6.187 flat angles C4'-P-C4' energy: -6.494 flat angles P-C4'-P energy: -6.199 tors. eta vs tors. theta energy: -2.907 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: 8 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -43.528086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.528086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.528086 (E_RNA) where: Base-Base interactions energy: -22.623 where: short stacking energy: -18.173 Base-Backbone interact. energy: -0.004 local terms energy: -20.901392 where: bonds (distance) C4'-P energy: -6.516 bonds (distance) P-C4' energy: -7.210 flat angles C4'-P-C4' energy: -5.164 flat angles P-C4'-P energy: -1.500 tors. eta vs tors. theta energy: -0.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -69.764409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.764409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.764409 (E_RNA) where: Base-Base interactions energy: -33.605 where: short stacking energy: -26.108 Base-Backbone interact. energy: -0.001 local terms energy: -36.158095 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -8.030 flat angles P-C4'-P energy: -1.677 tors. eta vs tors. theta energy: -9.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -58.467031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.467031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.467031 (E_RNA) where: Base-Base interactions energy: -23.017 where: short stacking energy: -23.017 Base-Backbone interact. energy: -0.001 local terms energy: -35.449009 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.357 flat angles P-C4'-P energy: -5.664 tors. eta vs tors. theta energy: -6.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -58.429081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.429081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.429081 (E_RNA) where: Base-Base interactions energy: -27.557 where: short stacking energy: -23.623 Base-Backbone interact. energy: -0.003 local terms energy: -30.868920 where: bonds (distance) C4'-P energy: -6.442 bonds (distance) P-C4' energy: -7.265 flat angles C4'-P-C4' energy: -7.292 flat angles P-C4'-P energy: -5.553 tors. eta vs tors. theta energy: -4.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -68.752285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.752285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.752285 (E_RNA) where: Base-Base interactions energy: -36.133 where: short stacking energy: -21.290 Base-Backbone interact. energy: -0.009 local terms energy: -32.610261 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -7.917 flat angles C4'-P-C4' energy: -7.694 flat angles P-C4'-P energy: -4.817 tors. eta vs tors. theta energy: -4.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -52.559240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.559240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.559240 (E_RNA) where: Base-Base interactions energy: -22.903 where: short stacking energy: -19.858 Base-Backbone interact. energy: -0.000 local terms energy: -29.656189 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -4.332 flat angles C4'-P-C4' energy: -7.268 flat angles P-C4'-P energy: -4.763 tors. eta vs tors. theta energy: -5.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -48.382113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.382113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.382113 (E_RNA) where: Base-Base interactions energy: -22.453 where: short stacking energy: -22.453 Base-Backbone interact. energy: -0.000 local terms energy: -25.928364 where: bonds (distance) C4'-P energy: -0.999 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.089 flat angles P-C4'-P energy: -5.042 tors. eta vs tors. theta energy: -6.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -49.734531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.734531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.734531 (E_RNA) where: Base-Base interactions energy: -21.550 where: short stacking energy: -21.550 Base-Backbone interact. energy: -0.084 local terms energy: -28.100786 where: bonds (distance) C4'-P energy: -8.006 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.329 flat angles P-C4'-P energy: -5.463 tors. eta vs tors. theta energy: -4.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -44.583070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.583070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.583070 (E_RNA) where: Base-Base interactions energy: -16.159 where: short stacking energy: -16.069 Base-Backbone interact. energy: -0.067 local terms energy: -28.356684 where: bonds (distance) C4'-P energy: -5.873 bonds (distance) P-C4' energy: -7.435 flat angles C4'-P-C4' energy: -7.171 flat angles P-C4'-P energy: -4.297 tors. eta vs tors. theta energy: -3.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -45.506234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.506234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.506234 (E_RNA) where: Base-Base interactions energy: -24.036 where: short stacking energy: -12.363 Base-Backbone interact. energy: -0.090 local terms energy: -21.380240 where: bonds (distance) C4'-P energy: -3.879 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -5.011 flat angles P-C4'-P energy: -4.414 tors. eta vs tors. theta energy: 0.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -42.066907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.066907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.066907 (E_RNA) where: Base-Base interactions energy: -17.241 where: short stacking energy: -17.241 Base-Backbone interact. energy: -0.006 local terms energy: -24.819836 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -8.001 flat angles P-C4'-P energy: -1.614 tors. eta vs tors. theta energy: -2.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -68.571639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.571639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.571639 (E_RNA) where: Base-Base interactions energy: -36.776 where: short stacking energy: -18.849 Base-Backbone interact. energy: -0.124 local terms energy: -31.671193 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.887 flat angles P-C4'-P energy: -6.669 tors. eta vs tors. theta energy: -2.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -60.648259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.648259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.648259 (E_RNA) where: Base-Base interactions energy: -27.728 where: short stacking energy: -27.728 Base-Backbone interact. energy: -0.017 local terms energy: -32.903607 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -8.121 flat angles C4'-P-C4' energy: -6.226 flat angles P-C4'-P energy: -4.963 tors. eta vs tors. theta energy: -6.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -79.703308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.703308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.703308 (E_RNA) where: Base-Base interactions energy: -47.700 where: short stacking energy: -22.005 Base-Backbone interact. energy: -0.002 local terms energy: -32.001263 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -7.407 flat angles P-C4'-P energy: -3.914 tors. eta vs tors. theta energy: -4.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -51.145294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.145294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.145294 (E_RNA) where: Base-Base interactions energy: -21.961 where: short stacking energy: -21.961 Base-Backbone interact. energy: -0.000 local terms energy: -29.184111 where: bonds (distance) C4'-P energy: -8.056 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -6.578 flat angles P-C4'-P energy: -3.854 tors. eta vs tors. theta energy: -4.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -50.151361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.151361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.151361 (E_RNA) where: Base-Base interactions energy: -20.483 where: short stacking energy: -19.366 Base-Backbone interact. energy: -0.000 local terms energy: -29.668706 where: bonds (distance) C4'-P energy: -7.216 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -7.197 flat angles P-C4'-P energy: -2.559 tors. eta vs tors. theta energy: -5.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -45.646368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.646368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.646368 (E_RNA) where: Base-Base interactions energy: -18.162 where: short stacking energy: -14.877 Base-Backbone interact. energy: 0.603 local terms energy: -28.087343 where: bonds (distance) C4'-P energy: -3.452 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -7.837 flat angles P-C4'-P energy: -4.513 tors. eta vs tors. theta energy: -3.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -47.956417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.956417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.956417 (E_RNA) where: Base-Base interactions energy: -17.157 where: short stacking energy: -15.904 Base-Backbone interact. energy: -0.147 local terms energy: -30.652640 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -6.701 flat angles P-C4'-P energy: -5.955 tors. eta vs tors. theta energy: -4.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -54.363448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.363448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.363448 (E_RNA) where: Base-Base interactions energy: -26.049 where: short stacking energy: -26.049 Base-Backbone interact. energy: -0.004 local terms energy: -28.309784 where: bonds (distance) C4'-P energy: -6.007 bonds (distance) P-C4' energy: -7.864 flat angles C4'-P-C4' energy: -3.662 flat angles P-C4'-P energy: -4.016 tors. eta vs tors. theta energy: -6.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -44.993038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.993038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.993038 (E_RNA) where: Base-Base interactions energy: -15.267 where: short stacking energy: -15.267 Base-Backbone interact. energy: -0.084 local terms energy: -29.641374 where: bonds (distance) C4'-P energy: -8.308 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -5.397 flat angles P-C4'-P energy: -2.617 tors. eta vs tors. theta energy: -4.214 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: 10, replica: 9 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -45.279511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.279511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.279511 (E_RNA) where: Base-Base interactions energy: -29.904 where: short stacking energy: -12.578 Base-Backbone interact. energy: 4.119 local terms energy: -19.494297 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -5.647 flat angles P-C4'-P energy: -1.018 tors. eta vs tors. theta energy: -1.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -66.458400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.458400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.458400 (E_RNA) where: Base-Base interactions energy: -25.997 where: short stacking energy: -25.997 Base-Backbone interact. energy: -0.000 local terms energy: -40.461619 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.690 flat angles P-C4'-P energy: -6.754 tors. eta vs tors. theta energy: -9.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -81.233725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.233725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.233725 (E_RNA) where: Base-Base interactions energy: -49.221 where: short stacking energy: -22.917 Base-Backbone interact. energy: -0.001 local terms energy: -32.011895 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -7.885 flat angles C4'-P-C4' energy: -8.252 flat angles P-C4'-P energy: -2.289 tors. eta vs tors. theta energy: -5.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -58.798343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.798343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.798343 (E_RNA) where: Base-Base interactions energy: -25.751 where: short stacking energy: -22.932 Base-Backbone interact. energy: -0.106 local terms energy: -32.941659 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.495 flat angles P-C4'-P energy: -4.182 tors. eta vs tors. theta energy: -1.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -48.831597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.831597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.831597 (E_RNA) where: Base-Base interactions energy: -17.086 where: short stacking energy: -15.734 Base-Backbone interact. energy: -0.012 local terms energy: -31.732784 where: bonds (distance) C4'-P energy: -6.467 bonds (distance) P-C4' energy: -7.296 flat angles C4'-P-C4' energy: -7.935 flat angles P-C4'-P energy: -5.515 tors. eta vs tors. theta energy: -4.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -55.578362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.578362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.578362 (E_RNA) where: Base-Base interactions energy: -22.916 where: short stacking energy: -22.916 Base-Backbone interact. energy: -0.000 local terms energy: -32.661714 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -5.887 flat angles P-C4'-P energy: -5.259 tors. eta vs tors. theta energy: -6.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -56.899110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.899110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.899110 (E_RNA) where: Base-Base interactions energy: -24.854 where: short stacking energy: -24.854 Base-Backbone interact. energy: -0.000 local terms energy: -32.044649 where: bonds (distance) C4'-P energy: -6.541 bonds (distance) P-C4' energy: -6.815 flat angles C4'-P-C4' energy: -7.503 flat angles P-C4'-P energy: -2.417 tors. eta vs tors. theta energy: -8.769 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: 2 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -50.732665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.732665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.732665 (E_RNA) where: Base-Base interactions energy: -16.849 where: short stacking energy: -16.495 Base-Backbone interact. energy: -0.018 local terms energy: -33.865604 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.825 flat angles P-C4'-P energy: -6.252 tors. eta vs tors. theta energy: -2.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -44.331350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.331350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.331350 (E_RNA) where: Base-Base interactions energy: -16.201 where: short stacking energy: -13.663 Base-Backbone interact. energy: 0.019 local terms energy: -28.149047 where: bonds (distance) C4'-P energy: -8.283 bonds (distance) P-C4' energy: -6.378 flat angles C4'-P-C4' energy: -7.476 flat angles P-C4'-P energy: -5.021 tors. eta vs tors. theta energy: -0.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -41.266716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.266716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.266716 (E_RNA) where: Base-Base interactions energy: -14.979 where: short stacking energy: -8.064 Base-Backbone interact. energy: -0.023 local terms energy: -26.265428 where: bonds (distance) C4'-P energy: -7.046 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -4.886 flat angles P-C4'-P energy: -4.443 tors. eta vs tors. theta energy: -0.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -37.922407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.922407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.922407 (E_RNA) where: Base-Base interactions energy: -9.977 where: short stacking energy: -9.977 Base-Backbone interact. energy: -0.003 local terms energy: -27.943332 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -8.439 flat angles C4'-P-C4' energy: -6.641 flat angles P-C4'-P energy: -4.747 tors. eta vs tors. theta energy: -0.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -78.600434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.600434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.600434 (E_RNA) where: Base-Base interactions energy: -43.663 where: short stacking energy: -33.098 Base-Backbone interact. energy: -0.000 local terms energy: -34.936863 where: bonds (distance) C4'-P energy: -6.834 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -6.852 flat angles P-C4'-P energy: -5.774 tors. eta vs tors. theta energy: -7.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -58.591234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.591234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.591234 (E_RNA) where: Base-Base interactions energy: -25.484 where: short stacking energy: -25.484 Base-Backbone interact. energy: -0.000 local terms energy: -33.107592 where: bonds (distance) C4'-P energy: -6.040 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -6.628 flat angles P-C4'-P energy: -4.976 tors. eta vs tors. theta energy: -6.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -67.358117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.358117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.358117 (E_RNA) where: Base-Base interactions energy: -28.470 where: short stacking energy: -28.470 Base-Backbone interact. energy: -0.000 local terms energy: -38.887795 where: bonds (distance) C4'-P energy: -7.315 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.935 flat angles P-C4'-P energy: -6.822 tors. eta vs tors. theta energy: -8.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -58.679861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.679861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.679861 (E_RNA) where: Base-Base interactions energy: -23.602 where: short stacking energy: -20.205 Base-Backbone interact. energy: -0.027 local terms energy: -35.050106 where: bonds (distance) C4'-P energy: -6.842 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.009 flat angles P-C4'-P energy: -5.700 tors. eta vs tors. theta energy: -7.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -47.261665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.261665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.261665 (E_RNA) where: Base-Base interactions energy: -19.114 where: short stacking energy: -19.114 Base-Backbone interact. energy: -0.009 local terms energy: -28.139055 where: bonds (distance) C4'-P energy: -5.654 bonds (distance) P-C4' energy: -7.564 flat angles C4'-P-C4' energy: -7.403 flat angles P-C4'-P energy: -3.656 tors. eta vs tors. theta energy: -3.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -47.142384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.142384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.142384 (E_RNA) where: Base-Base interactions energy: -16.832 where: short stacking energy: -16.832 Base-Backbone interact. energy: -0.026 local terms energy: -30.284150 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -9.584 flat angles P-C4'-P energy: -2.153 tors. eta vs tors. theta energy: -0.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -48.440629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.440629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.440629 (E_RNA) where: Base-Base interactions energy: -18.813 where: short stacking energy: -15.270 Base-Backbone interact. energy: -0.346 local terms energy: -29.281778 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -8.302 flat angles C4'-P-C4' energy: -6.602 flat angles P-C4'-P energy: -5.616 tors. eta vs tors. theta energy: -0.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -46.079586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.079586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.079586 (E_RNA) where: Base-Base interactions energy: -16.223 where: short stacking energy: -16.223 Base-Backbone interact. energy: -0.021 local terms energy: -29.835747 where: bonds (distance) C4'-P energy: -6.537 bonds (distance) P-C4' energy: -8.451 flat angles C4'-P-C4' energy: -7.487 flat angles P-C4'-P energy: -4.319 tors. eta vs tors. theta energy: -3.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -44.138473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.138473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.138473 (E_RNA) where: Base-Base interactions energy: -10.614 where: short stacking energy: -7.381 Base-Backbone interact. energy: -0.034 local terms energy: -33.490281 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.671 flat angles C4'-P-C4' energy: -7.172 flat angles P-C4'-P energy: -6.468 tors. eta vs tors. theta energy: -3.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -41.585400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.585400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.585400 (E_RNA) where: Base-Base interactions energy: -13.599 where: short stacking energy: -13.599 Base-Backbone interact. energy: -0.016 local terms energy: -27.971183 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -4.255 flat angles P-C4'-P energy: -5.442 tors. eta vs tors. theta energy: -3.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -72.934363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.934363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.934363 (E_RNA) where: Base-Base interactions energy: -34.919 where: short stacking energy: -26.057 Base-Backbone interact. energy: -0.073 local terms energy: -37.942752 where: bonds (distance) C4'-P energy: -7.446 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.455 flat angles P-C4'-P energy: -5.829 tors. eta vs tors. theta energy: -7.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -58.661289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.661289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.661289 (E_RNA) where: Base-Base interactions energy: -21.718 where: short stacking energy: -21.718 Base-Backbone interact. energy: -0.000 local terms energy: -36.943120 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -8.476 flat angles P-C4'-P energy: -5.342 tors. eta vs tors. theta energy: -6.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -56.855923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.855923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.855923 (E_RNA) where: Base-Base interactions energy: -21.351 where: short stacking energy: -21.351 Base-Backbone interact. energy: -0.001 local terms energy: -35.503719 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -8.193 flat angles P-C4'-P energy: -4.940 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: 4, replica: 10 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -58.766824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.766824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.766824 (E_RNA) where: Base-Base interactions energy: -24.918 where: short stacking energy: -15.435 Base-Backbone interact. energy: -0.000 local terms energy: -33.848384 where: bonds (distance) C4'-P energy: -6.934 bonds (distance) P-C4' energy: -7.790 flat angles C4'-P-C4' energy: -9.153 flat angles P-C4'-P energy: -6.079 tors. eta vs tors. theta energy: -3.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -55.781529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.781529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.781529 (E_RNA) where: Base-Base interactions energy: -20.995 where: short stacking energy: -20.995 Base-Backbone interact. energy: -0.000 local terms energy: -34.786113 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -8.489 flat angles P-C4'-P energy: -6.858 tors. eta vs tors. theta energy: -3.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -44.849949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.849949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.849949 (E_RNA) where: Base-Base interactions energy: -16.115 where: short stacking energy: -16.115 Base-Backbone interact. energy: -0.063 local terms energy: -28.671938 where: bonds (distance) C4'-P energy: -6.790 bonds (distance) P-C4' energy: -5.189 flat angles C4'-P-C4' energy: -8.880 flat angles P-C4'-P energy: -5.418 tors. eta vs tors. theta energy: -2.395 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: 4 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -48.010269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.010269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.010269 (E_RNA) where: Base-Base interactions energy: -23.931 where: short stacking energy: -23.701 Base-Backbone interact. energy: -0.000 local terms energy: -24.078688 where: bonds (distance) C4'-P energy: -6.549 bonds (distance) P-C4' energy: -5.936 flat angles C4'-P-C4' energy: -6.370 flat angles P-C4'-P energy: 2.543 tors. eta vs tors. theta energy: -7.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -45.428699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.428699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.428699 (E_RNA) where: Base-Base interactions energy: -16.728 where: short stacking energy: -16.497 Base-Backbone interact. energy: -0.061 local terms energy: -28.640392 where: bonds (distance) C4'-P energy: -7.638 bonds (distance) P-C4' energy: -6.551 flat angles C4'-P-C4' energy: -4.363 flat angles P-C4'-P energy: -6.043 tors. eta vs tors. theta energy: -4.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -40.419533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.419533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.419533 (E_RNA) where: Base-Base interactions energy: -10.851 where: short stacking energy: -10.617 Base-Backbone interact. energy: -0.631 local terms energy: -28.937829 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -7.121 flat angles P-C4'-P energy: -5.630 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: 10, replica: 3 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -43.279100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.279100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.279100 (E_RNA) where: Base-Base interactions energy: -19.241 where: short stacking energy: -11.631 Base-Backbone interact. energy: -0.100 local terms energy: -23.937283 where: bonds (distance) C4'-P energy: -6.291 bonds (distance) P-C4' energy: -4.090 flat angles C4'-P-C4' energy: -6.848 flat angles P-C4'-P energy: -3.578 tors. eta vs tors. theta energy: -3.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -73.391984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.391984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.391984 (E_RNA) where: Base-Base interactions energy: -39.857 where: short stacking energy: -23.261 Base-Backbone interact. energy: -0.000 local terms energy: -33.534777 where: bonds (distance) C4'-P energy: -6.338 bonds (distance) P-C4' energy: -8.352 flat angles C4'-P-C4' energy: -5.232 flat angles P-C4'-P energy: -7.659 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: 2, replica: 6 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -61.233509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.233509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.233509 (E_RNA) where: Base-Base interactions energy: -24.494 where: short stacking energy: -24.494 Base-Backbone interact. energy: -0.004 local terms energy: -36.735317 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -7.667 flat angles C4'-P-C4' energy: -8.502 flat angles P-C4'-P energy: -4.196 tors. eta vs tors. theta energy: -7.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -57.712798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.712798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.712798 (E_RNA) where: Base-Base interactions energy: -20.418 where: short stacking energy: -20.418 Base-Backbone interact. energy: -0.003 local terms energy: -37.292319 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.907 flat angles C4'-P-C4' energy: -7.729 flat angles P-C4'-P energy: -5.852 tors. eta vs tors. theta energy: -7.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -59.455551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.455551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.455551 (E_RNA) where: Base-Base interactions energy: -24.621 where: short stacking energy: -24.621 Base-Backbone interact. energy: -0.277 local terms energy: -34.557655 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -7.223 flat angles P-C4'-P energy: -5.610 tors. eta vs tors. theta energy: -4.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -55.188182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.188182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.188182 (E_RNA) where: Base-Base interactions energy: -22.628 where: short stacking energy: -22.628 Base-Backbone interact. energy: -0.011 local terms energy: -32.548942 where: bonds (distance) C4'-P energy: -5.332 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -6.817 flat angles P-C4'-P energy: -5.723 tors. eta vs tors. theta energy: -6.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -64.343934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.343934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.343934 (E_RNA) where: Base-Base interactions energy: -26.239 where: short stacking energy: -26.239 Base-Backbone interact. energy: -0.013 local terms energy: -38.092677 where: bonds (distance) C4'-P energy: -8.581 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.052 flat angles P-C4'-P energy: -3.496 tors. eta vs tors. theta energy: -9.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -47.403880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.403880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.403880 (E_RNA) where: Base-Base interactions energy: -19.098 where: short stacking energy: -17.589 Base-Backbone interact. energy: -0.074 local terms energy: -28.231269 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -6.487 flat angles P-C4'-P energy: -7.864 tors. eta vs tors. theta energy: -0.383 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: 9 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -52.262270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.262270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.262270 (E_RNA) where: Base-Base interactions energy: -21.540 where: short stacking energy: -21.540 Base-Backbone interact. energy: -0.000 local terms energy: -30.722405 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -4.547 flat angles C4'-P-C4' energy: -5.919 flat angles P-C4'-P energy: -5.811 tors. eta vs tors. theta energy: -6.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -44.125499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.125499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.125499 (E_RNA) where: Base-Base interactions energy: -19.489 where: short stacking energy: -19.489 Base-Backbone interact. energy: -0.001 local terms energy: -24.635586 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -6.716 flat angles C4'-P-C4' energy: -5.477 flat angles P-C4'-P energy: -1.965 tors. eta vs tors. theta energy: -2.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -38.273714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.273714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.273714 (E_RNA) where: Base-Base interactions energy: -13.170 where: short stacking energy: -13.000 Base-Backbone interact. energy: -0.025 local terms energy: -25.078990 where: bonds (distance) C4'-P energy: -7.559 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -5.128 flat angles P-C4'-P energy: -4.592 tors. eta vs tors. theta energy: 1.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -81.356585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.356585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.356585 (E_RNA) where: Base-Base interactions energy: -48.285 where: short stacking energy: -27.764 Base-Backbone interact. energy: -0.001 local terms energy: -33.070256 where: bonds (distance) C4'-P energy: -5.311 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -7.348 flat angles P-C4'-P energy: -5.649 tors. eta vs tors. theta energy: -6.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -65.834041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.834041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.834041 (E_RNA) where: Base-Base interactions energy: -28.374 where: short stacking energy: -24.085 Base-Backbone interact. energy: -0.003 local terms energy: -37.457573 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -5.741 flat angles P-C4'-P energy: -6.063 tors. eta vs tors. theta energy: -7.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -68.278057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.278057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.278057 (E_RNA) where: Base-Base interactions energy: -29.108 where: short stacking energy: -29.108 Base-Backbone interact. energy: -0.000 local terms energy: -39.170116 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.387 flat angles P-C4'-P energy: -5.718 tors. eta vs tors. theta energy: -10.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -49.147266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.147266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.147266 (E_RNA) where: Base-Base interactions energy: -20.584 where: short stacking energy: -13.009 Base-Backbone interact. energy: -0.059 local terms energy: -28.504470 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -5.025 flat angles C4'-P-C4' energy: -9.036 flat angles P-C4'-P energy: -4.827 tors. eta vs tors. theta energy: -1.222 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: 5, replica: 5 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -51.008704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.008704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.008704 (E_RNA) where: Base-Base interactions energy: -20.166 where: short stacking energy: -20.166 Base-Backbone interact. energy: -0.009 local terms energy: -30.833827 where: bonds (distance) C4'-P energy: -6.085 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -6.255 flat angles P-C4'-P energy: -4.656 tors. eta vs tors. theta energy: -4.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -52.024792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.024792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.024792 (E_RNA) where: Base-Base interactions energy: -20.838 where: short stacking energy: -16.733 Base-Backbone interact. energy: -0.282 local terms energy: -30.905375 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -6.818 flat angles C4'-P-C4' energy: -8.126 flat angles P-C4'-P energy: -3.247 tors. eta vs tors. theta energy: -4.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -50.646290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.646290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.646290 (E_RNA) where: Base-Base interactions energy: -26.251 where: short stacking energy: -14.008 Base-Backbone interact. energy: -0.131 local terms energy: -24.264396 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -2.137 flat angles P-C4'-P energy: -5.945 tors. eta vs tors. theta energy: 1.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -41.537050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.537050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.537050 (E_RNA) where: Base-Base interactions energy: -13.206 where: short stacking energy: -13.206 Base-Backbone interact. energy: -0.010 local terms energy: -28.321109 where: bonds (distance) C4'-P energy: -7.455 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -8.067 flat angles P-C4'-P energy: -3.309 tors. eta vs tors. theta energy: -1.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -37.522343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.522343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.522343 (E_RNA) where: Base-Base interactions energy: -10.808 where: short stacking energy: -7.075 Base-Backbone interact. energy: 0.119 local terms energy: -26.832736 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -5.134 flat angles P-C4'-P energy: -3.963 tors. eta vs tors. theta energy: -0.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -44.051222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.051222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.051222 (E_RNA) where: Base-Base interactions energy: -21.889 where: short stacking energy: -10.258 Base-Backbone interact. energy: -0.001 local terms energy: -22.161177 where: bonds (distance) C4'-P energy: -3.825 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.083 flat angles P-C4'-P energy: -3.393 tors. eta vs tors. theta energy: 0.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -86.082427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.082427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.082427 (E_RNA) where: Base-Base interactions energy: -48.837 where: short stacking energy: -33.747 Base-Backbone interact. energy: -0.001 local terms energy: -37.244462 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -6.880 flat angles P-C4'-P energy: -5.907 tors. eta vs tors. theta energy: -8.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -66.489309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.489309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.489309 (E_RNA) where: Base-Base interactions energy: -29.251 where: short stacking energy: -29.251 Base-Backbone interact. energy: -0.000 local terms energy: -37.238434 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -7.118 flat angles P-C4'-P energy: -6.752 tors. eta vs tors. theta energy: -8.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -72.917585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.917585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.917585 (E_RNA) where: Base-Base interactions energy: -37.574 where: short stacking energy: -23.974 Base-Backbone interact. energy: -0.029 local terms energy: -35.314258 where: bonds (distance) C4'-P energy: -7.811 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -6.111 flat angles P-C4'-P energy: -6.340 tors. eta vs tors. theta energy: -6.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -54.494330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.494330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.494330 (E_RNA) where: Base-Base interactions energy: -22.600 where: short stacking energy: -22.600 Base-Backbone interact. energy: -0.095 local terms energy: -31.798978 where: bonds (distance) C4'-P energy: -6.785 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -9.098 flat angles P-C4'-P energy: -5.726 tors. eta vs tors. theta energy: -4.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -52.465099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.465099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.465099 (E_RNA) where: Base-Base interactions energy: -18.991 where: short stacking energy: -15.883 Base-Backbone interact. energy: -0.100 local terms energy: -33.373756 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.901 flat angles P-C4'-P energy: -5.866 tors. eta vs tors. theta energy: -2.119 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: 4 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -53.336165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.336165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.336165 (E_RNA) where: Base-Base interactions energy: -22.433 where: short stacking energy: -22.433 Base-Backbone interact. energy: -0.020 local terms energy: -30.883391 where: bonds (distance) C4'-P energy: -6.645 bonds (distance) P-C4' energy: -6.582 flat angles C4'-P-C4' energy: -8.698 flat angles P-C4'-P energy: -3.850 tors. eta vs tors. theta energy: -5.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -53.057529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.057529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.057529 (E_RNA) where: Base-Base interactions energy: -22.086 where: short stacking energy: -22.086 Base-Backbone interact. energy: -0.000 local terms energy: -30.971122 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.168 flat angles P-C4'-P energy: -5.375 tors. eta vs tors. theta energy: -4.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -42.398870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.398870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.398870 (E_RNA) where: Base-Base interactions energy: -13.027 where: short stacking energy: -12.856 Base-Backbone interact. energy: -0.009 local terms energy: -29.363619 where: bonds (distance) C4'-P energy: -6.877 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -7.702 flat angles P-C4'-P energy: -4.581 tors. eta vs tors. theta energy: -3.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -45.948754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.948754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.948754 (E_RNA) where: Base-Base interactions energy: -21.087 where: short stacking energy: -10.796 Base-Backbone interact. energy: -0.094 local terms energy: -24.768090 where: bonds (distance) C4'-P energy: -5.157 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -5.436 flat angles P-C4'-P energy: -4.814 tors. eta vs tors. theta energy: -0.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -44.470898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.470898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.470898 (E_RNA) where: Base-Base interactions energy: -17.048 where: short stacking energy: -17.048 Base-Backbone interact. energy: -0.001 local terms energy: -27.422175 where: bonds (distance) C4'-P energy: -4.082 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.060 flat angles P-C4'-P energy: -3.347 tors. eta vs tors. theta energy: -5.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -72.775725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.775725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.775725 (E_RNA) where: Base-Base interactions energy: -40.971 where: short stacking energy: -29.113 Base-Backbone interact. energy: -0.006 local terms energy: -31.798914 where: bonds (distance) C4'-P energy: -6.404 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -8.488 flat angles P-C4'-P energy: -5.736 tors. eta vs tors. theta energy: -2.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -71.025470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.025470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.025470 (E_RNA) where: Base-Base interactions energy: -33.381 where: short stacking energy: -33.381 Base-Backbone interact. energy: -0.000 local terms energy: -37.643971 where: bonds (distance) C4'-P energy: -6.550 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.366 flat angles P-C4'-P energy: -4.193 tors. eta vs tors. theta energy: -9.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -70.018815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.018815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.018815 (E_RNA) where: Base-Base interactions energy: -35.299 where: short stacking energy: -22.410 Base-Backbone interact. energy: -0.035 local terms energy: -34.684353 where: bonds (distance) C4'-P energy: -6.355 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -7.243 flat angles P-C4'-P energy: -6.779 tors. eta vs tors. theta energy: -5.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -60.052418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.052418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.052418 (E_RNA) where: Base-Base interactions energy: -26.360 where: short stacking energy: -26.360 Base-Backbone interact. energy: -0.356 local terms energy: -33.336310 where: bonds (distance) C4'-P energy: -5.883 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.391 flat angles P-C4'-P energy: -6.259 tors. eta vs tors. theta energy: -8.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -55.369344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.369344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.369344 (E_RNA) where: Base-Base interactions energy: -22.753 where: short stacking energy: -22.753 Base-Backbone interact. energy: -0.084 local terms energy: -32.533263 where: bonds (distance) C4'-P energy: -4.968 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -6.719 flat angles P-C4'-P energy: -5.668 tors. eta vs tors. theta energy: -6.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -55.888233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.888233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.888233 (E_RNA) where: Base-Base interactions energy: -28.347 where: short stacking energy: -23.679 Base-Backbone interact. energy: -0.001 local terms energy: -27.540417 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -6.184 flat angles C4'-P-C4' energy: -8.356 flat angles P-C4'-P energy: -2.483 tors. eta vs tors. theta energy: -3.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -48.808463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.808463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.808463 (E_RNA) where: Base-Base interactions energy: -25.834 where: short stacking energy: -21.762 Base-Backbone interact. energy: -0.007 local terms energy: -22.967221 where: bonds (distance) C4'-P energy: -5.432 bonds (distance) P-C4' energy: -5.159 flat angles C4'-P-C4' energy: -7.512 flat angles P-C4'-P energy: -3.566 tors. eta vs tors. theta energy: -1.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -46.100866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.100866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.100866 (E_RNA) where: Base-Base interactions energy: -20.019 where: short stacking energy: -11.979 Base-Backbone interact. energy: -0.071 local terms energy: -26.010660 where: bonds (distance) C4'-P energy: -7.079 bonds (distance) P-C4' energy: -6.412 flat angles C4'-P-C4' energy: -6.915 flat angles P-C4'-P energy: -5.552 tors. eta vs tors. theta energy: -0.053 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: 9, replica: 7 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -43.476963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.476963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.476963 (E_RNA) where: Base-Base interactions energy: -15.872 where: short stacking energy: -13.691 Base-Backbone interact. energy: -0.027 local terms energy: -27.577209 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.230 flat angles P-C4'-P energy: -4.314 tors. eta vs tors. theta energy: 1.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -41.879505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.879505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.879505 (E_RNA) where: Base-Base interactions energy: -17.423 where: short stacking energy: -12.987 Base-Backbone interact. energy: -0.041 local terms energy: -24.416389 where: bonds (distance) C4'-P energy: -6.495 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -7.121 flat angles P-C4'-P energy: -4.984 tors. eta vs tors. theta energy: 0.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -68.429099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.429099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.429099 (E_RNA) where: Base-Base interactions energy: -30.885 where: short stacking energy: -30.012 Base-Backbone interact. energy: -0.000 local terms energy: -37.544206 where: bonds (distance) C4'-P energy: -6.868 bonds (distance) P-C4' energy: -8.351 flat angles C4'-P-C4' energy: -8.720 flat angles P-C4'-P energy: -4.735 tors. eta vs tors. theta energy: -8.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -79.075850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.075850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.075850 (E_RNA) where: Base-Base interactions energy: -40.633 where: short stacking energy: -23.889 Base-Backbone interact. energy: -0.002 local terms energy: -38.441781 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -9.035 flat angles C4'-P-C4' energy: -7.968 flat angles P-C4'-P energy: -7.428 tors. eta vs tors. theta energy: -5.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -63.258155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.258155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.258155 (E_RNA) where: Base-Base interactions energy: -23.443 where: short stacking energy: -23.443 Base-Backbone interact. energy: -0.000 local terms energy: -39.814591 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.650 flat angles C4'-P-C4' energy: -7.545 flat angles P-C4'-P energy: -5.213 tors. eta vs tors. theta energy: -9.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -57.832930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.832930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.832930 (E_RNA) where: Base-Base interactions energy: -24.324 where: short stacking energy: -22.389 Base-Backbone interact. energy: -0.021 local terms energy: -33.488472 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -6.459 flat angles P-C4'-P energy: -4.672 tors. eta vs tors. theta energy: -6.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -50.569505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.569505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.569505 (E_RNA) where: Base-Base interactions energy: -19.273 where: short stacking energy: -19.273 Base-Backbone interact. energy: -0.099 local terms energy: -31.197185 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -6.019 flat angles C4'-P-C4' energy: -5.367 flat angles P-C4'-P energy: -4.652 tors. eta vs tors. theta energy: -7.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -57.349441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.349441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.349441 (E_RNA) where: Base-Base interactions energy: -28.135 where: short stacking energy: -28.135 Base-Backbone interact. energy: -0.000 local terms energy: -29.214258 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -5.032 flat angles C4'-P-C4' energy: -4.767 flat angles P-C4'-P energy: -2.289 tors. eta vs tors. theta energy: -8.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -47.080786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.080786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.080786 (E_RNA) where: Base-Base interactions energy: -25.258 where: short stacking energy: -16.176 Base-Backbone interact. energy: -0.270 local terms energy: -21.552032 where: bonds (distance) C4'-P energy: -0.791 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -5.450 flat angles P-C4'-P energy: -5.432 tors. eta vs tors. theta energy: -1.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -51.681656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.681656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.681656 (E_RNA) where: Base-Base interactions energy: -27.994 where: short stacking energy: -20.382 Base-Backbone interact. energy: 0.799 local terms energy: -24.487103 where: bonds (distance) C4'-P energy: -4.114 bonds (distance) P-C4' energy: -3.788 flat angles C4'-P-C4' energy: -7.654 flat angles P-C4'-P energy: -4.990 tors. eta vs tors. theta energy: -3.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -38.205720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.205720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.205720 (E_RNA) where: Base-Base interactions energy: -10.659 where: short stacking energy: -10.417 Base-Backbone interact. energy: -0.013 local terms energy: -27.533347 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -7.820 flat angles C4'-P-C4' energy: -6.307 flat angles P-C4'-P energy: -5.109 tors. eta vs tors. theta energy: -0.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -39.462444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.462444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.462444 (E_RNA) where: Base-Base interactions energy: -14.480 where: short stacking energy: -13.284 Base-Backbone interact. energy: -0.087 local terms energy: -24.895787 where: bonds (distance) C4'-P energy: -5.581 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.676 flat angles P-C4'-P energy: -5.635 tors. eta vs tors. theta energy: -0.333 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: 8 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -71.296430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.296430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.296430 (E_RNA) where: Base-Base interactions energy: -39.503 where: short stacking energy: -23.247 Base-Backbone interact. energy: -1.422 local terms energy: -30.372130 where: bonds (distance) C4'-P energy: -8.056 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -4.417 flat angles P-C4'-P energy: -6.064 tors. eta vs tors. theta energy: -4.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -75.381107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.381107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.381107 (E_RNA) where: Base-Base interactions energy: -33.104 where: short stacking energy: -33.104 Base-Backbone interact. energy: -0.000 local terms energy: -42.277104 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -8.865 flat angles C4'-P-C4' energy: -8.470 flat angles P-C4'-P energy: -5.865 tors. eta vs tors. theta energy: -11.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -78.377688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.377688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.377688 (E_RNA) where: Base-Base interactions energy: -43.954 where: short stacking energy: -25.377 Base-Backbone interact. energy: -0.005 local terms energy: -34.418447 where: bonds (distance) C4'-P energy: -7.320 bonds (distance) P-C4' energy: -6.740 flat angles C4'-P-C4' energy: -8.749 flat angles P-C4'-P energy: -5.899 tors. eta vs tors. theta energy: -5.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -52.946224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.946224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.946224 (E_RNA) where: Base-Base interactions energy: -25.702 where: short stacking energy: -17.756 Base-Backbone interact. energy: -0.433 local terms energy: -26.810650 where: bonds (distance) C4'-P energy: -6.643 bonds (distance) P-C4' energy: -4.961 flat angles C4'-P-C4' energy: -6.308 flat angles P-C4'-P energy: -6.377 tors. eta vs tors. theta energy: -2.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -50.053091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.053091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.053091 (E_RNA) where: Base-Base interactions energy: -19.762 where: short stacking energy: -19.762 Base-Backbone interact. energy: -0.001 local terms energy: -30.290587 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.125 flat angles C4'-P-C4' energy: -7.059 flat angles P-C4'-P energy: -4.194 tors. eta vs tors. theta energy: -2.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -57.373473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.373473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.373473 (E_RNA) where: Base-Base interactions energy: -22.465 where: short stacking energy: -22.465 Base-Backbone interact. energy: -0.000 local terms energy: -34.907681 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -6.555 flat angles P-C4'-P energy: -5.327 tors. eta vs tors. theta energy: -6.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -47.246100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.246100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.246100 (E_RNA) where: Base-Base interactions energy: -16.683 where: short stacking energy: -16.683 Base-Backbone interact. energy: -0.006 local terms energy: -30.556853 where: bonds (distance) C4'-P energy: -7.074 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -8.510 flat angles P-C4'-P energy: -2.645 tors. eta vs tors. theta energy: -2.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -44.494799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.494799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.494799 (E_RNA) where: Base-Base interactions energy: -14.591 where: short stacking energy: -13.300 Base-Backbone interact. energy: -0.004 local terms energy: -29.900172 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -7.389 flat angles P-C4'-P energy: -4.619 tors. eta vs tors. theta energy: 0.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -45.044297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.044297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.044297 (E_RNA) where: Base-Base interactions energy: -11.399 where: short stacking energy: -11.399 Base-Backbone interact. energy: -0.010 local terms energy: -33.635422 where: bonds (distance) C4'-P energy: -6.495 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -8.654 flat angles P-C4'-P energy: -6.000 tors. eta vs tors. theta energy: -3.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -41.590076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.590076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.590076 (E_RNA) where: Base-Base interactions energy: -16.385 where: short stacking energy: -16.385 Base-Backbone interact. energy: -0.009 local terms energy: -25.196297 where: bonds (distance) C4'-P energy: -5.555 bonds (distance) P-C4' energy: -6.119 flat angles C4'-P-C4' energy: -8.361 flat angles P-C4'-P energy: -1.837 tors. eta vs tors. theta energy: -3.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -68.361942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.361942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.361942 (E_RNA) where: Base-Base interactions energy: -31.737 where: short stacking energy: -31.567 Base-Backbone interact. energy: -0.000 local terms energy: -36.625287 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -7.509 flat angles P-C4'-P energy: -5.768 tors. eta vs tors. theta energy: -7.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -78.809563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.809563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.809563 (E_RNA) where: Base-Base interactions energy: -39.372 where: short stacking energy: -22.365 Base-Backbone interact. energy: -0.000 local terms energy: -39.436809 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -8.592 flat angles P-C4'-P energy: -7.096 tors. eta vs tors. theta energy: -6.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -55.658136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.658136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.658136 (E_RNA) where: Base-Base interactions energy: -20.648 where: short stacking energy: -20.648 Base-Backbone interact. energy: -0.093 local terms energy: -34.916944 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.925 flat angles P-C4'-P energy: -5.841 tors. eta vs tors. theta energy: -5.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -67.449995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.449995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.449995 (E_RNA) where: Base-Base interactions energy: -30.241 where: short stacking energy: -30.241 Base-Backbone interact. energy: -0.000 local terms energy: -37.208909 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -6.356 flat angles P-C4'-P energy: -3.844 tors. eta vs tors. theta energy: -9.502 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: 6 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -57.018094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.018094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.018094 (E_RNA) where: Base-Base interactions energy: -21.977 where: short stacking energy: -21.977 Base-Backbone interact. energy: -0.000 local terms energy: -35.040902 where: bonds (distance) C4'-P energy: -7.214 bonds (distance) P-C4' energy: -6.849 flat angles C4'-P-C4' energy: -8.323 flat angles P-C4'-P energy: -7.094 tors. eta vs tors. theta energy: -5.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -49.480702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.480702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.480702 (E_RNA) where: Base-Base interactions energy: -19.443 where: short stacking energy: -19.443 Base-Backbone interact. energy: -0.001 local terms energy: -30.037629 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -7.315 flat angles C4'-P-C4' energy: -6.180 flat angles P-C4'-P energy: -4.734 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: 7, replica: 9 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -56.226674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.226674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.226674 (E_RNA) where: Base-Base interactions energy: -27.055 where: short stacking energy: -13.369 Base-Backbone interact. energy: -0.006 local terms energy: -29.165651 where: bonds (distance) C4'-P energy: -4.091 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -8.801 flat angles P-C4'-P energy: -5.600 tors. eta vs tors. theta energy: -1.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -43.500162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.500162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.500162 (E_RNA) where: Base-Base interactions energy: -14.028 where: short stacking energy: -14.028 Base-Backbone interact. energy: -0.003 local terms energy: -29.469202 where: bonds (distance) C4'-P energy: -6.379 bonds (distance) P-C4' energy: -6.287 flat angles C4'-P-C4' energy: -8.216 flat angles P-C4'-P energy: -5.525 tors. eta vs tors. theta energy: -3.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -41.207102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.207102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.207102 (E_RNA) where: Base-Base interactions energy: -14.437 where: short stacking energy: -14.437 Base-Backbone interact. energy: -0.073 local terms energy: -26.697230 where: bonds (distance) C4'-P energy: -4.197 bonds (distance) P-C4' energy: -7.956 flat angles C4'-P-C4' energy: -5.613 flat angles P-C4'-P energy: -6.086 tors. eta vs tors. theta energy: -2.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -45.275738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.275738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.275738 (E_RNA) where: Base-Base interactions energy: -15.077 where: short stacking energy: -14.621 Base-Backbone interact. energy: -0.005 local terms energy: -30.193449 where: bonds (distance) C4'-P energy: -4.653 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -9.115 flat angles P-C4'-P energy: -3.855 tors. eta vs tors. theta energy: -3.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -70.391752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.391752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.391752 (E_RNA) where: Base-Base interactions energy: -33.495 where: short stacking energy: -31.103 Base-Backbone interact. energy: -0.000 local terms energy: -36.896885 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -6.715 flat angles P-C4'-P energy: -2.554 tors. eta vs tors. theta energy: -10.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -61.289160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.289160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.289160 (E_RNA) where: Base-Base interactions energy: -28.845 where: short stacking energy: -20.494 Base-Backbone interact. energy: -0.001 local terms energy: -32.443189 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -8.403 flat angles P-C4'-P energy: -4.844 tors. eta vs tors. theta energy: -3.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -68.786914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.786914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.786914 (E_RNA) where: Base-Base interactions energy: -33.779 where: short stacking energy: -28.148 Base-Backbone interact. energy: -0.002 local terms energy: -35.006210 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -5.078 flat angles C4'-P-C4' energy: -6.816 flat angles P-C4'-P energy: -5.086 tors. eta vs tors. theta energy: -9.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -63.871951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.871951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.871951 (E_RNA) where: Base-Base interactions energy: -29.267 where: short stacking energy: -29.267 Base-Backbone interact. energy: -0.001 local terms energy: -34.603934 where: bonds (distance) C4'-P energy: -4.550 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -6.326 flat angles P-C4'-P energy: -6.051 tors. eta vs tors. theta energy: -9.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -55.330520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.330520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.330520 (E_RNA) where: Base-Base interactions energy: -21.815 where: short stacking energy: -21.815 Base-Backbone interact. energy: -0.001 local terms energy: -33.514532 where: bonds (distance) C4'-P energy: -6.648 bonds (distance) P-C4' energy: -8.179 flat angles C4'-P-C4' energy: -6.078 flat angles P-C4'-P energy: -4.913 tors. eta vs tors. theta energy: -7.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -49.929302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.929302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.929302 (E_RNA) where: Base-Base interactions energy: -18.767 where: short stacking energy: -14.214 Base-Backbone interact. energy: -0.175 local terms energy: -30.987439 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -7.041 flat angles C4'-P-C4' energy: -8.159 flat angles P-C4'-P energy: -4.328 tors. eta vs tors. theta energy: -2.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -40.371365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.371365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.371365 (E_RNA) where: Base-Base interactions energy: -11.376 where: short stacking energy: -11.376 Base-Backbone interact. energy: -0.089 local terms energy: -28.905603 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -7.817 flat angles P-C4'-P energy: -6.912 tors. eta vs tors. theta energy: -0.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -59.473216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.473216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.473216 (E_RNA) where: Base-Base interactions energy: -29.096 where: short stacking energy: -22.356 Base-Backbone interact. energy: 0.647 local terms energy: -31.024649 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -6.926 flat angles P-C4'-P energy: -3.423 tors. eta vs tors. theta energy: -4.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -42.134017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.134017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.134017 (E_RNA) where: Base-Base interactions energy: -17.000 where: short stacking energy: -17.000 Base-Backbone interact. energy: -0.020 local terms energy: -25.113949 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -0.817 flat angles P-C4'-P energy: -6.173 tors. eta vs tors. theta energy: -3.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -40.782717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.782717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.782717 (E_RNA) where: Base-Base interactions energy: -12.122 where: short stacking energy: -12.122 Base-Backbone interact. energy: -0.017 local terms energy: -28.643689 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -8.052 flat angles C4'-P-C4' energy: -7.279 flat angles P-C4'-P energy: -2.290 tors. eta vs tors. theta energy: -2.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -60.355936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.355936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.355936 (E_RNA) where: Base-Base interactions energy: -26.462 where: short stacking energy: -26.462 Base-Backbone interact. energy: -0.121 local terms energy: -33.772938 where: bonds (distance) C4'-P energy: -7.634 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -5.828 flat angles P-C4'-P energy: -5.393 tors. eta vs tors. theta energy: -6.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -64.507411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.507411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.507411 (E_RNA) where: Base-Base interactions energy: -31.641 where: short stacking energy: -20.298 Base-Backbone interact. energy: -0.000 local terms energy: -32.865656 where: bonds (distance) C4'-P energy: -6.255 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -7.522 flat angles P-C4'-P energy: -5.913 tors. eta vs tors. theta energy: -4.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -74.876445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.876445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.876445 (E_RNA) where: Base-Base interactions energy: -39.161 where: short stacking energy: -27.011 Base-Backbone interact. energy: -0.007 local terms energy: -35.708888 where: bonds (distance) C4'-P energy: -7.153 bonds (distance) P-C4' energy: -7.880 flat angles C4'-P-C4' energy: -6.295 flat angles P-C4'-P energy: -6.218 tors. eta vs tors. theta energy: -8.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -61.719714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.719714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.719714 (E_RNA) where: Base-Base interactions energy: -24.306 where: short stacking energy: -23.725 Base-Backbone interact. energy: -0.000 local terms energy: -37.413372 where: bonds (distance) C4'-P energy: -8.011 bonds (distance) P-C4' energy: -9.041 flat angles C4'-P-C4' energy: -8.186 flat angles P-C4'-P energy: -4.803 tors. eta vs tors. theta energy: -7.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -51.536800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.536800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.536800 (E_RNA) where: Base-Base interactions energy: -17.094 where: short stacking energy: -17.094 Base-Backbone interact. energy: -1.074 local terms energy: -33.369233 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -8.837 flat angles C4'-P-C4' energy: -4.870 flat angles P-C4'-P energy: -5.295 tors. eta vs tors. theta energy: -6.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -51.095550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.095550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.095550 (E_RNA) where: Base-Base interactions energy: -24.633 where: short stacking energy: -24.633 Base-Backbone interact. energy: -0.001 local terms energy: -26.461759 where: bonds (distance) C4'-P energy: -5.909 bonds (distance) P-C4' energy: -8.361 flat angles C4'-P-C4' energy: -5.359 flat angles P-C4'-P energy: -1.514 tors. eta vs tors. theta energy: -5.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -54.534961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.534961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.534961 (E_RNA) where: Base-Base interactions energy: -27.130 where: short stacking energy: -17.667 Base-Backbone interact. energy: -0.100 local terms energy: -27.305618 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -7.600 flat angles C4'-P-C4' energy: -4.218 flat angles P-C4'-P energy: -4.967 tors. eta vs tors. theta energy: -3.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -40.334613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.334613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.334613 (E_RNA) where: Base-Base interactions energy: -14.889 where: short stacking energy: -14.889 Base-Backbone interact. energy: -0.003 local terms energy: -25.443032 where: bonds (distance) C4'-P energy: -5.245 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.733 flat angles P-C4'-P energy: -5.506 tors. eta vs tors. theta energy: -1.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -46.651547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.651547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.651547 (E_RNA) where: Base-Base interactions energy: -18.808 where: short stacking energy: -18.808 Base-Backbone interact. energy: -0.089 local terms energy: -27.755043 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -4.591 flat angles C4'-P-C4' energy: -5.498 flat angles P-C4'-P energy: -3.498 tors. eta vs tors. theta energy: -6.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -41.183064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.183064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.183064 (E_RNA) where: Base-Base interactions energy: -11.555 where: short stacking energy: -9.536 Base-Backbone interact. energy: -0.074 local terms energy: -29.554182 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -5.510 flat angles C4'-P-C4' energy: -9.050 flat angles P-C4'-P energy: -7.208 tors. eta vs tors. theta energy: -2.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -61.108588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.108588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.108588 (E_RNA) where: Base-Base interactions energy: -28.827 where: short stacking energy: -28.827 Base-Backbone interact. energy: -0.156 local terms energy: -32.126193 where: bonds (distance) C4'-P energy: -6.942 bonds (distance) P-C4' energy: -5.450 flat angles C4'-P-C4' energy: -7.126 flat angles P-C4'-P energy: -5.244 tors. eta vs tors. theta energy: -7.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -76.307695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.307695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.307695 (E_RNA) where: Base-Base interactions energy: -38.257 where: short stacking energy: -31.718 Base-Backbone interact. energy: -0.000 local terms energy: -38.050193 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.558 flat angles P-C4'-P energy: -4.840 tors. eta vs tors. theta energy: -9.788 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: 5 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -59.052297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.052297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.052297 (E_RNA) where: Base-Base interactions energy: -26.687 where: short stacking energy: -25.135 Base-Backbone interact. energy: -0.001 local terms energy: -32.364943 where: bonds (distance) C4'-P energy: -2.943 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.279 flat angles P-C4'-P energy: -5.427 tors. eta vs tors. theta energy: -8.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -58.361094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.361094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.361094 (E_RNA) where: Base-Base interactions energy: -22.064 where: short stacking energy: -22.064 Base-Backbone interact. energy: -0.018 local terms energy: -36.278556 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -7.146 flat angles C4'-P-C4' energy: -7.809 flat angles P-C4'-P energy: -6.518 tors. eta vs tors. theta energy: -6.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -57.333111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.333111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.333111 (E_RNA) where: Base-Base interactions energy: -25.265 where: short stacking energy: -22.908 Base-Backbone interact. energy: -0.010 local terms energy: -32.058137 where: bonds (distance) C4'-P energy: -6.826 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.913 flat angles P-C4'-P energy: -6.577 tors. eta vs tors. theta energy: -3.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -54.627952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.627952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.627952 (E_RNA) where: Base-Base interactions energy: -28.029 where: short stacking energy: -28.029 Base-Backbone interact. energy: -0.064 local terms energy: -26.534328 where: bonds (distance) C4'-P energy: -4.620 bonds (distance) P-C4' energy: -3.284 flat angles C4'-P-C4' energy: -8.125 flat angles P-C4'-P energy: -4.446 tors. eta vs tors. theta energy: -6.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -47.846965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.846965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.846965 (E_RNA) where: Base-Base interactions energy: -20.695 where: short stacking energy: -19.884 Base-Backbone interact. energy: -0.071 local terms energy: -27.080370 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -3.684 flat angles P-C4'-P energy: -5.635 tors. eta vs tors. theta energy: -2.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -44.796920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.796920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.796920 (E_RNA) where: Base-Base interactions energy: -18.050 where: short stacking energy: -14.434 Base-Backbone interact. energy: -0.091 local terms energy: -26.656079 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.684 flat angles P-C4'-P energy: -5.187 tors. eta vs tors. theta energy: -4.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -38.237628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.237628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.237628 (E_RNA) where: Base-Base interactions energy: -16.515 where: short stacking energy: -15.765 Base-Backbone interact. energy: -0.105 local terms energy: -21.617643 where: bonds (distance) C4'-P energy: -5.130 bonds (distance) P-C4' energy: -4.560 flat angles C4'-P-C4' energy: -5.552 flat angles P-C4'-P energy: -3.663 tors. eta vs tors. theta energy: -2.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -44.807106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.807106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.807106 (E_RNA) where: Base-Base interactions energy: -18.057 where: short stacking energy: -14.172 Base-Backbone interact. energy: -1.048 local terms energy: -25.702077 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -3.741 flat angles C4'-P-C4' energy: -3.130 flat angles P-C4'-P energy: -6.523 tors. eta vs tors. theta energy: -5.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -73.151064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.151064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.151064 (E_RNA) where: Base-Base interactions energy: -32.764 where: short stacking energy: -32.764 Base-Backbone interact. energy: -0.000 local terms energy: -40.387011 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -7.708 flat angles P-C4'-P energy: -6.556 tors. eta vs tors. theta energy: -9.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -47.741067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.741067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.741067 (E_RNA) where: Base-Base interactions energy: -20.540 where: short stacking energy: -15.986 Base-Backbone interact. energy: -0.080 local terms energy: -27.121052 where: bonds (distance) C4'-P energy: -7.214 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -5.283 flat angles P-C4'-P energy: -3.861 tors. eta vs tors. theta energy: -2.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -67.979659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.979659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.979659 (E_RNA) where: Base-Base interactions energy: -34.123 where: short stacking energy: -19.764 Base-Backbone interact. energy: -0.164 local terms energy: -33.693236 where: bonds (distance) C4'-P energy: -8.002 bonds (distance) P-C4' energy: -7.499 flat angles C4'-P-C4' energy: -7.794 flat angles P-C4'-P energy: -5.671 tors. eta vs tors. theta energy: -4.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -54.792429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.792429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.792429 (E_RNA) where: Base-Base interactions energy: -23.251 where: short stacking energy: -23.251 Base-Backbone interact. energy: -0.036 local terms energy: -31.505786 where: bonds (distance) C4'-P energy: -7.555 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.331 flat angles P-C4'-P energy: -4.127 tors. eta vs tors. theta energy: -7.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -51.835662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.835662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.835662 (E_RNA) where: Base-Base interactions energy: -21.064 where: short stacking energy: -21.064 Base-Backbone interact. energy: -0.001 local terms energy: -30.770195 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -5.204 flat angles P-C4'-P energy: -4.417 tors. eta vs tors. theta energy: -4.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -53.124605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.124605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.124605 (E_RNA) where: Base-Base interactions energy: -20.550 where: short stacking energy: -20.550 Base-Backbone interact. energy: -0.031 local terms energy: -32.543626 where: bonds (distance) C4'-P energy: -3.849 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -7.955 flat angles P-C4'-P energy: -5.565 tors. eta vs tors. theta energy: -7.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -47.164530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.164530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.164530 (E_RNA) where: Base-Base interactions energy: -17.560 where: short stacking energy: -17.560 Base-Backbone interact. energy: -0.070 local terms energy: -29.534117 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -5.594 flat angles P-C4'-P energy: -4.887 tors. eta vs tors. theta energy: -2.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -46.016045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.016045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.016045 (E_RNA) where: Base-Base interactions energy: -19.283 where: short stacking energy: -19.283 Base-Backbone interact. energy: 0.032 local terms energy: -26.765419 where: bonds (distance) C4'-P energy: -6.504 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -5.914 flat angles P-C4'-P energy: -2.704 tors. eta vs tors. theta energy: -4.290 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: 360 Temperature: 1.300000 Total energy: -53.227622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.227622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.227622 (E_RNA) where: Base-Base interactions energy: -22.789 where: short stacking energy: -19.696 Base-Backbone interact. energy: -0.000 local terms energy: -30.438680 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -4.599 flat angles C4'-P-C4' energy: -7.256 flat angles P-C4'-P energy: -5.298 tors. eta vs tors. theta energy: -6.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -45.531798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.531798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.531798 (E_RNA) where: Base-Base interactions energy: -19.856 where: short stacking energy: -19.856 Base-Backbone interact. energy: -0.129 local terms energy: -25.546974 where: bonds (distance) C4'-P energy: -5.071 bonds (distance) P-C4' energy: -6.946 flat angles C4'-P-C4' energy: -8.423 flat angles P-C4'-P energy: -3.265 tors. eta vs tors. theta energy: -1.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -67.779920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.779920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.779920 (E_RNA) where: Base-Base interactions energy: -32.906 where: short stacking energy: -29.659 Base-Backbone interact. energy: -0.274 local terms energy: -34.600021 where: bonds (distance) C4'-P energy: -7.046 bonds (distance) P-C4' energy: -6.603 flat angles C4'-P-C4' energy: -8.932 flat angles P-C4'-P energy: -6.289 tors. eta vs tors. theta energy: -5.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -60.926841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.926841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.926841 (E_RNA) where: Base-Base interactions energy: -26.393 where: short stacking energy: -19.180 Base-Backbone interact. energy: -0.000 local terms energy: -34.533553 where: bonds (distance) C4'-P energy: -5.614 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -6.764 flat angles P-C4'-P energy: -5.770 tors. eta vs tors. theta energy: -9.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -66.031424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.031424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.031424 (E_RNA) where: Base-Base interactions energy: -28.338 where: short stacking energy: -28.338 Base-Backbone interact. energy: -0.000 local terms energy: -37.693609 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -9.166 flat angles P-C4'-P energy: -4.703 tors. eta vs tors. theta energy: -7.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -66.705934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.705934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.705934 (E_RNA) where: Base-Base interactions energy: -28.098 where: short stacking energy: -28.098 Base-Backbone interact. energy: -0.000 local terms energy: -38.608133 where: bonds (distance) C4'-P energy: -8.415 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -8.641 flat angles P-C4'-P energy: -5.621 tors. eta vs tors. theta energy: -7.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -49.527708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.527708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.527708 (E_RNA) where: Base-Base interactions energy: -18.561 where: short stacking energy: -18.561 Base-Backbone interact. energy: -0.077 local terms energy: -30.889841 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -6.070 flat angles P-C4'-P energy: -4.012 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: 6, replica: 2 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -48.671095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.671095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.671095 (E_RNA) where: Base-Base interactions energy: -16.737 where: short stacking energy: -16.737 Base-Backbone interact. energy: -0.151 local terms energy: -31.783096 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -7.389 flat angles P-C4'-P energy: -4.133 tors. eta vs tors. theta energy: -4.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -44.526694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.526694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.526694 (E_RNA) where: Base-Base interactions energy: -16.265 where: short stacking energy: -16.265 Base-Backbone interact. energy: -0.001 local terms energy: -28.260515 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -7.118 flat angles C4'-P-C4' energy: -8.072 flat angles P-C4'-P energy: -2.631 tors. eta vs tors. theta energy: -2.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -43.470999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.470999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.470999 (E_RNA) where: Base-Base interactions energy: -16.741 where: short stacking energy: -11.522 Base-Backbone interact. energy: -0.035 local terms energy: -26.695475 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -7.718 flat angles P-C4'-P energy: -2.079 tors. eta vs tors. theta energy: -0.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -45.859315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.859315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.859315 (E_RNA) where: Base-Base interactions energy: -18.528 where: short stacking energy: -17.578 Base-Backbone interact. energy: 1.219 local terms energy: -28.550037 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -6.585 flat angles C4'-P-C4' energy: -5.344 flat angles P-C4'-P energy: -4.507 tors. eta vs tors. theta energy: -4.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -41.285064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.285064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.285064 (E_RNA) where: Base-Base interactions energy: -17.719 where: short stacking energy: -17.100 Base-Backbone interact. energy: -0.124 local terms energy: -23.442498 where: bonds (distance) C4'-P energy: -7.568 bonds (distance) P-C4' energy: -4.258 flat angles C4'-P-C4' energy: -7.138 flat angles P-C4'-P energy: -6.100 tors. eta vs tors. theta energy: 1.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -71.309120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.309120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.309120 (E_RNA) where: Base-Base interactions energy: -34.219 where: short stacking energy: -34.219 Base-Backbone interact. energy: -0.000 local terms energy: -37.090609 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.222 flat angles P-C4'-P energy: -3.226 tors. eta vs tors. theta energy: -9.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -69.583743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.583743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.583743 (E_RNA) where: Base-Base interactions energy: -40.553 where: short stacking energy: -23.625 Base-Backbone interact. energy: -0.097 local terms energy: -28.932953 where: bonds (distance) C4'-P energy: -6.805 bonds (distance) P-C4' energy: -7.573 flat angles C4'-P-C4' energy: -8.633 flat angles P-C4'-P energy: -1.979 tors. eta vs tors. theta energy: -3.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -64.804521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.804521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.804521 (E_RNA) where: Base-Base interactions energy: -33.163 where: short stacking energy: -19.715 Base-Backbone interact. energy: -0.053 local terms energy: -31.588453 where: bonds (distance) C4'-P energy: -6.325 bonds (distance) P-C4' energy: -6.806 flat angles C4'-P-C4' energy: -7.767 flat angles P-C4'-P energy: -6.196 tors. eta vs tors. theta energy: -4.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -59.336722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.336722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.336722 (E_RNA) where: Base-Base interactions energy: -27.832 where: short stacking energy: -16.204 Base-Backbone interact. energy: -0.101 local terms energy: -31.403674 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -4.536 flat angles P-C4'-P energy: -5.950 tors. eta vs tors. theta energy: -4.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -58.586216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.586216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.586216 (E_RNA) where: Base-Base interactions energy: -25.236 where: short stacking energy: -25.236 Base-Backbone interact. energy: -0.056 local terms energy: -33.294396 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -8.828 flat angles P-C4'-P energy: -0.030 tors. eta vs tors. theta energy: -8.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -54.869968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.869968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.869968 (E_RNA) where: Base-Base interactions energy: -24.211 where: short stacking energy: -24.211 Base-Backbone interact. energy: -0.000 local terms energy: -30.658890 where: bonds (distance) C4'-P energy: -7.493 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -7.452 flat angles P-C4'-P energy: -3.112 tors. eta vs tors. theta energy: -5.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -47.238308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.238308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.238308 (E_RNA) where: Base-Base interactions energy: -18.024 where: short stacking energy: -18.024 Base-Backbone interact. energy: -0.000 local terms energy: -29.214068 where: bonds (distance) C4'-P energy: -6.699 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -7.900 flat angles P-C4'-P energy: -3.449 tors. eta vs tors. theta energy: -4.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -45.527945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.527945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.527945 (E_RNA) where: Base-Base interactions energy: -16.312 where: short stacking energy: -16.174 Base-Backbone interact. energy: -0.110 local terms energy: -29.106142 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.802 flat angles P-C4'-P energy: -4.864 tors. eta vs tors. theta energy: -0.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -46.517312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.517312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.517312 (E_RNA) where: Base-Base interactions energy: -18.351 where: short stacking energy: -12.620 Base-Backbone interact. energy: -0.001 local terms energy: -28.165211 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -8.014 flat angles C4'-P-C4' energy: -7.757 flat angles P-C4'-P energy: -3.783 tors. eta vs tors. theta energy: -0.829 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: 10, replica: 6 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -42.633262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.633262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.633262 (E_RNA) where: Base-Base interactions energy: -15.130 where: short stacking energy: -15.130 Base-Backbone interact. energy: -0.091 local terms energy: -27.412331 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -7.753 flat angles P-C4'-P energy: -5.420 tors. eta vs tors. theta energy: -1.165 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: 5 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -63.898208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.898208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.898208 (E_RNA) where: Base-Base interactions energy: -28.117 where: short stacking energy: -27.391 Base-Backbone interact. energy: -0.085 local terms energy: -35.696363 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.733 flat angles P-C4'-P energy: -5.541 tors. eta vs tors. theta energy: -4.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -67.434111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.434111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.434111 (E_RNA) where: Base-Base interactions energy: -34.772 where: short stacking energy: -22.064 Base-Backbone interact. energy: -0.004 local terms energy: -32.657725 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -9.056 flat angles C4'-P-C4' energy: -8.231 flat angles P-C4'-P energy: -0.932 tors. eta vs tors. theta energy: -6.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -57.748021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.748021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.748021 (E_RNA) where: Base-Base interactions energy: -24.007 where: short stacking energy: -24.007 Base-Backbone interact. energy: -0.000 local terms energy: -33.740991 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -7.074 flat angles P-C4'-P energy: -4.557 tors. eta vs tors. theta energy: -6.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -68.312707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.312707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.312707 (E_RNA) where: Base-Base interactions energy: -31.538 where: short stacking energy: -28.302 Base-Backbone interact. energy: -1.482 local terms energy: -35.292719 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -7.542 flat angles P-C4'-P energy: -3.467 tors. eta vs tors. theta energy: -8.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -52.451420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.451420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.451420 (E_RNA) where: Base-Base interactions energy: -19.171 where: short stacking energy: -19.171 Base-Backbone interact. energy: -0.016 local terms energy: -33.264781 where: bonds (distance) C4'-P energy: -7.049 bonds (distance) P-C4' energy: -9.034 flat angles C4'-P-C4' energy: -8.409 flat angles P-C4'-P energy: -4.884 tors. eta vs tors. theta energy: -3.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -49.315857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.315857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.315857 (E_RNA) where: Base-Base interactions energy: -16.629 where: short stacking energy: -12.892 Base-Backbone interact. energy: -0.002 local terms energy: -32.684250 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -6.776 flat angles C4'-P-C4' energy: -9.001 flat angles P-C4'-P energy: -4.763 tors. eta vs tors. theta energy: -5.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -54.375634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.375634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.375634 (E_RNA) where: Base-Base interactions energy: -24.153 where: short stacking energy: -24.153 Base-Backbone interact. energy: -0.000 local terms energy: -30.222871 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -5.025 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -5.258 tors. eta vs tors. theta energy: -7.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -47.091282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.091282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.091282 (E_RNA) where: Base-Base interactions energy: -20.373 where: short stacking energy: -18.081 Base-Backbone interact. energy: -0.004 local terms energy: -26.714087 where: bonds (distance) C4'-P energy: -5.708 bonds (distance) P-C4' energy: -7.063 flat angles C4'-P-C4' energy: -4.532 flat angles P-C4'-P energy: -4.380 tors. eta vs tors. theta energy: -5.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -46.032004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.032004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.032004 (E_RNA) where: Base-Base interactions energy: -20.235 where: short stacking energy: -20.235 Base-Backbone interact. energy: -0.100 local terms energy: -25.696831 where: bonds (distance) C4'-P energy: -2.621 bonds (distance) P-C4' energy: -6.175 flat angles C4'-P-C4' energy: -7.077 flat angles P-C4'-P energy: -5.232 tors. eta vs tors. theta energy: -4.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -42.052480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.052480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.052480 (E_RNA) where: Base-Base interactions energy: -16.812 where: short stacking energy: -16.377 Base-Backbone interact. energy: -0.103 local terms energy: -25.136926 where: bonds (distance) C4'-P energy: -3.444 bonds (distance) P-C4' energy: -6.281 flat angles C4'-P-C4' energy: -7.904 flat angles P-C4'-P energy: -4.128 tors. eta vs tors. theta energy: -3.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -63.829308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.829308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.829308 (E_RNA) where: Base-Base interactions energy: -24.956 where: short stacking energy: -24.956 Base-Backbone interact. energy: -0.000 local terms energy: -38.872908 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.168 flat angles P-C4'-P energy: -6.174 tors. eta vs tors. theta energy: -8.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -72.307244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.307244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.307244 (E_RNA) where: Base-Base interactions energy: -40.524 where: short stacking energy: -14.588 Base-Backbone interact. energy: -0.076 local terms energy: -31.707704 where: bonds (distance) C4'-P energy: -6.699 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.437 flat angles P-C4'-P energy: -3.778 tors. eta vs tors. theta energy: -4.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -55.805029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.805029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.805029 (E_RNA) where: Base-Base interactions energy: -22.683 where: short stacking energy: -22.683 Base-Backbone interact. energy: -0.091 local terms energy: -33.030749 where: bonds (distance) C4'-P energy: -6.388 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -6.054 flat angles P-C4'-P energy: -4.682 tors. eta vs tors. theta energy: -8.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -56.125226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.125226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.125226 (E_RNA) where: Base-Base interactions energy: -20.220 where: short stacking energy: -20.220 Base-Backbone interact. energy: -0.000 local terms energy: -35.904774 where: bonds (distance) C4'-P energy: -6.488 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.908 flat angles P-C4'-P energy: -5.908 tors. eta vs tors. theta energy: -5.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -50.646384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.646384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.646384 (E_RNA) where: Base-Base interactions energy: -17.651 where: short stacking energy: -15.938 Base-Backbone interact. energy: -0.112 local terms energy: -32.882948 where: bonds (distance) C4'-P energy: -8.217 bonds (distance) P-C4' energy: -8.336 flat angles C4'-P-C4' energy: -6.576 flat angles P-C4'-P energy: -3.326 tors. eta vs tors. theta energy: -6.428 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: 6, replica: 2 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -52.078705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.078705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.078705 (E_RNA) where: Base-Base interactions energy: -19.707 where: short stacking energy: -19.707 Base-Backbone interact. energy: -0.060 local terms energy: -32.311285 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -8.806 flat angles C4'-P-C4' energy: -6.242 flat angles P-C4'-P energy: -6.463 tors. eta vs tors. theta energy: -2.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -59.236330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.236330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.236330 (E_RNA) where: Base-Base interactions energy: -32.060 where: short stacking energy: -19.919 Base-Backbone interact. energy: -0.085 local terms energy: -27.091651 where: bonds (distance) C4'-P energy: -5.244 bonds (distance) P-C4' energy: -8.809 flat angles C4'-P-C4' energy: -7.244 flat angles P-C4'-P energy: -3.829 tors. eta vs tors. theta energy: -1.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -48.646497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.646497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.646497 (E_RNA) where: Base-Base interactions energy: -20.023 where: short stacking energy: -20.023 Base-Backbone interact. energy: -0.033 local terms energy: -28.590446 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -5.575 flat angles C4'-P-C4' energy: -6.484 flat angles P-C4'-P energy: -3.047 tors. eta vs tors. theta energy: -5.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -46.612981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.612981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.612981 (E_RNA) where: Base-Base interactions energy: -20.451 where: short stacking energy: -13.907 Base-Backbone interact. energy: 0.590 local terms energy: -26.752565 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -6.563 flat angles C4'-P-C4' energy: -5.028 flat angles P-C4'-P energy: -5.684 tors. eta vs tors. theta energy: -2.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -42.412879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.412879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.412879 (E_RNA) where: Base-Base interactions energy: -11.820 where: short stacking energy: -11.820 Base-Backbone interact. energy: -0.095 local terms energy: -30.497978 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -7.277 flat angles P-C4'-P energy: -6.792 tors. eta vs tors. theta energy: -0.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -75.772794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.772794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.772794 (E_RNA) where: Base-Base interactions energy: -34.089 where: short stacking energy: -34.089 Base-Backbone interact. energy: -0.000 local terms energy: -41.683307 where: bonds (distance) C4'-P energy: -7.497 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -9.030 flat angles P-C4'-P energy: -6.923 tors. eta vs tors. theta energy: -9.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -69.072739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.072739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.072739 (E_RNA) where: Base-Base interactions energy: -39.627 where: short stacking energy: -15.843 Base-Backbone interact. energy: -0.115 local terms energy: -29.330073 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -6.804 flat angles C4'-P-C4' energy: -7.732 flat angles P-C4'-P energy: -5.641 tors. eta vs tors. theta energy: -1.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -56.877267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.877267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.877267 (E_RNA) where: Base-Base interactions energy: -21.649 where: short stacking energy: -21.649 Base-Backbone interact. energy: -0.001 local terms energy: -35.228029 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.831 flat angles P-C4'-P energy: -7.311 tors. eta vs tors. theta energy: -3.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -58.481349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.481349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.481349 (E_RNA) where: Base-Base interactions energy: -23.441 where: short stacking energy: -23.441 Base-Backbone interact. energy: -0.006 local terms energy: -35.034238 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -7.637 flat angles P-C4'-P energy: -6.987 tors. eta vs tors. theta energy: -4.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -49.883074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.883074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.883074 (E_RNA) where: Base-Base interactions energy: -18.788 where: short stacking energy: -16.445 Base-Backbone interact. energy: -0.429 local terms energy: -30.666269 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -7.885 flat angles C4'-P-C4' energy: -5.743 flat angles P-C4'-P energy: -6.295 tors. eta vs tors. theta energy: -3.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -56.335824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.335824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.335824 (E_RNA) where: Base-Base interactions energy: -25.311 where: short stacking energy: -25.311 Base-Backbone interact. energy: -0.000 local terms energy: -31.024466 where: bonds (distance) C4'-P energy: -4.649 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.927 flat angles P-C4'-P energy: -3.832 tors. eta vs tors. theta energy: -6.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -48.165028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.165028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.165028 (E_RNA) where: Base-Base interactions energy: -19.886 where: short stacking energy: -19.886 Base-Backbone interact. energy: -0.022 local terms energy: -28.256739 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -8.302 flat angles C4'-P-C4' energy: -6.148 flat angles P-C4'-P energy: -0.941 tors. eta vs tors. theta energy: -4.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -53.830126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.830126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.830126 (E_RNA) where: Base-Base interactions energy: -22.805 where: short stacking energy: -15.930 Base-Backbone interact. energy: -0.051 local terms energy: -30.974063 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -5.532 flat angles C4'-P-C4' energy: -7.746 flat angles P-C4'-P energy: -5.916 tors. eta vs tors. theta energy: -4.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -44.281628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.281628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.281628 (E_RNA) where: Base-Base interactions energy: -20.039 where: short stacking energy: -9.209 Base-Backbone interact. energy: -0.101 local terms energy: -24.141856 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -7.186 flat angles C4'-P-C4' energy: -6.440 flat angles P-C4'-P energy: 1.836 tors. eta vs tors. theta energy: -4.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -43.931641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.931641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.931641 (E_RNA) where: Base-Base interactions energy: -18.320 where: short stacking energy: -18.320 Base-Backbone interact. energy: -0.000 local terms energy: -25.611068 where: bonds (distance) C4'-P energy: -2.695 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.978 flat angles P-C4'-P energy: -2.378 tors. eta vs tors. theta energy: -7.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -70.823084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.823084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.823084 (E_RNA) where: Base-Base interactions energy: -39.034 where: short stacking energy: -25.326 Base-Backbone interact. energy: -0.000 local terms energy: -31.789136 where: bonds (distance) C4'-P energy: -6.835 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -7.469 flat angles P-C4'-P energy: -4.926 tors. eta vs tors. theta energy: -4.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -69.420071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.420071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.420071 (E_RNA) where: Base-Base interactions energy: -28.858 where: short stacking energy: -28.858 Base-Backbone interact. energy: -0.000 local terms energy: -40.562479 where: bonds (distance) C4'-P energy: -7.989 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -9.721 flat angles P-C4'-P energy: -4.485 tors. eta vs tors. theta energy: -9.030 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: 366 Temperature: 1.000000 Total energy: -74.624836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.624836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.624836 (E_RNA) where: Base-Base interactions energy: -43.927 where: short stacking energy: -21.329 Base-Backbone interact. energy: -0.000 local terms energy: -30.698059 where: bonds (distance) C4'-P energy: -5.410 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -8.585 flat angles P-C4'-P energy: -5.194 tors. eta vs tors. theta energy: -5.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -54.663603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.663603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.663603 (E_RNA) where: Base-Base interactions energy: -20.904 where: short stacking energy: -20.904 Base-Backbone interact. energy: -0.000 local terms energy: -33.759147 where: bonds (distance) C4'-P energy: -6.984 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -7.897 flat angles P-C4'-P energy: -5.039 tors. eta vs tors. theta energy: -5.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -51.824059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.824059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.824059 (E_RNA) where: Base-Base interactions energy: -19.809 where: short stacking energy: -19.809 Base-Backbone interact. energy: -0.006 local terms energy: -32.009107 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -6.755 flat angles P-C4'-P energy: -6.771 tors. eta vs tors. theta energy: -4.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -45.793824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.793824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.793824 (E_RNA) where: Base-Base interactions energy: -17.456 where: short stacking energy: -17.456 Base-Backbone interact. energy: -0.012 local terms energy: -28.325941 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -6.764 flat angles P-C4'-P energy: -3.250 tors. eta vs tors. theta energy: -3.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -47.875455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.875455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.875455 (E_RNA) where: Base-Base interactions energy: -15.634 where: short stacking energy: -15.628 Base-Backbone interact. energy: -0.066 local terms energy: -32.175207 where: bonds (distance) C4'-P energy: -7.663 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -6.287 flat angles P-C4'-P energy: -5.049 tors. eta vs tors. theta energy: -4.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -45.225856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.225856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.225856 (E_RNA) where: Base-Base interactions energy: -14.914 where: short stacking energy: -14.914 Base-Backbone interact. energy: -0.003 local terms energy: -30.309563 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -7.856 flat angles P-C4'-P energy: -4.258 tors. eta vs tors. theta energy: -4.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -39.943035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.943035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.943035 (E_RNA) where: Base-Base interactions energy: -13.130 where: short stacking energy: -13.130 Base-Backbone interact. energy: -0.050 local terms energy: -26.762135 where: bonds (distance) C4'-P energy: -5.795 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -8.791 flat angles P-C4'-P energy: -4.644 tors. eta vs tors. theta energy: -0.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -44.645068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.645068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.645068 (E_RNA) where: Base-Base interactions energy: -22.206 where: short stacking energy: -17.773 Base-Backbone interact. energy: -0.132 local terms energy: -22.307865 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -4.348 flat angles P-C4'-P energy: -2.541 tors. eta vs tors. theta energy: -3.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -65.527893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.527893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.527893 (E_RNA) where: Base-Base interactions energy: -29.841 where: short stacking energy: -24.940 Base-Backbone interact. energy: -0.000 local terms energy: -35.686720 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -8.263 flat angles P-C4'-P energy: -4.826 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: 2, replica: 4 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -68.600111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.600111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.600111 (E_RNA) where: Base-Base interactions energy: -30.883 where: short stacking energy: -24.352 Base-Backbone interact. energy: -0.061 local terms energy: -37.655594 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -7.501 flat angles C4'-P-C4' energy: -7.901 flat angles P-C4'-P energy: -6.990 tors. eta vs tors. theta energy: -7.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -62.902892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.902892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.902892 (E_RNA) where: Base-Base interactions energy: -28.664 where: short stacking energy: -21.119 Base-Backbone interact. energy: -0.003 local terms energy: -34.235628 where: bonds (distance) C4'-P energy: -6.847 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -6.805 flat angles P-C4'-P energy: -5.325 tors. eta vs tors. theta energy: -6.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -62.963336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.963336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.963336 (E_RNA) where: Base-Base interactions energy: -31.017 where: short stacking energy: -20.970 Base-Backbone interact. energy: -0.023 local terms energy: -31.923382 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -7.626 flat angles P-C4'-P energy: -4.125 tors. eta vs tors. theta energy: -3.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -47.458033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.458033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.458033 (E_RNA) where: Base-Base interactions energy: -17.140 where: short stacking energy: -16.262 Base-Backbone interact. energy: -0.002 local terms energy: -30.316250 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -7.268 flat angles C4'-P-C4' energy: -5.732 flat angles P-C4'-P energy: -5.466 tors. eta vs tors. theta energy: -3.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -49.144790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.144790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.144790 (E_RNA) where: Base-Base interactions energy: -19.010 where: short stacking energy: -19.010 Base-Backbone interact. energy: -0.001 local terms energy: -30.133682 where: bonds (distance) C4'-P energy: -6.885 bonds (distance) P-C4' energy: -6.367 flat angles C4'-P-C4' energy: -5.681 flat angles P-C4'-P energy: -5.276 tors. eta vs tors. theta energy: -5.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -54.447539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.447539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.447539 (E_RNA) where: Base-Base interactions energy: -30.712 where: short stacking energy: -21.779 Base-Backbone interact. energy: -0.031 local terms energy: -23.704077 where: bonds (distance) C4'-P energy: -5.741 bonds (distance) P-C4' energy: -5.250 flat angles C4'-P-C4' energy: -6.253 flat angles P-C4'-P energy: -3.836 tors. eta vs tors. theta energy: -2.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -46.960746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.960746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.960746 (E_RNA) where: Base-Base interactions energy: -18.272 where: short stacking energy: -13.363 Base-Backbone interact. energy: -0.030 local terms energy: -28.658662 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -8.953 flat angles P-C4'-P energy: -3.092 tors. eta vs tors. theta energy: -2.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -40.667989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.667989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.667989 (E_RNA) where: Base-Base interactions energy: -10.891 where: short stacking energy: -9.863 Base-Backbone interact. energy: -0.087 local terms energy: -29.690536 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -3.804 flat angles P-C4'-P energy: -5.366 tors. eta vs tors. theta energy: -3.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -36.557613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.557613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.557613 (E_RNA) where: Base-Base interactions energy: -13.287 where: short stacking energy: -13.287 Base-Backbone interact. energy: -0.043 local terms energy: -23.227263 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -7.263 flat angles C4'-P-C4' energy: -6.076 flat angles P-C4'-P energy: -3.658 tors. eta vs tors. theta energy: 0.691 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: 1, replica: 4 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -68.174630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.174630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.174630 (E_RNA) where: Base-Base interactions energy: -33.457 where: short stacking energy: -14.674 Base-Backbone interact. energy: -0.012 local terms energy: -34.706194 where: bonds (distance) C4'-P energy: -6.570 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.280 flat angles P-C4'-P energy: -6.798 tors. eta vs tors. theta energy: -3.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -56.797437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.797437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.797437 (E_RNA) where: Base-Base interactions energy: -21.160 where: short stacking energy: -21.160 Base-Backbone interact. energy: -0.001 local terms energy: -35.636509 where: bonds (distance) C4'-P energy: -6.499 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.150 flat angles P-C4'-P energy: -6.855 tors. eta vs tors. theta energy: -5.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -60.840583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.840583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.840583 (E_RNA) where: Base-Base interactions energy: -28.916 where: short stacking energy: -17.498 Base-Backbone interact. energy: -0.000 local terms energy: -31.924276 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -7.904 flat angles P-C4'-P energy: -2.705 tors. eta vs tors. theta energy: -4.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -57.265769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.265769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.265769 (E_RNA) where: Base-Base interactions energy: -25.695 where: short stacking energy: -25.695 Base-Backbone interact. energy: -0.186 local terms energy: -31.385097 where: bonds (distance) C4'-P energy: -5.452 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -7.045 flat angles P-C4'-P energy: -3.996 tors. eta vs tors. theta energy: -5.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -52.392759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.392759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.392759 (E_RNA) where: Base-Base interactions energy: -24.449 where: short stacking energy: -22.493 Base-Backbone interact. energy: -0.015 local terms energy: -27.928057 where: bonds (distance) C4'-P energy: -6.429 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -6.101 flat angles P-C4'-P energy: -3.514 tors. eta vs tors. theta energy: -2.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -48.769264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.769264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.769264 (E_RNA) where: Base-Base interactions energy: -21.284 where: short stacking energy: -21.284 Base-Backbone interact. energy: -0.061 local terms energy: -27.424649 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -7.995 flat angles C4'-P-C4' energy: -4.254 flat angles P-C4'-P energy: -4.788 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: 7, replica: 8 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -48.405419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.405419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.405419 (E_RNA) where: Base-Base interactions energy: -17.327 where: short stacking energy: -17.327 Base-Backbone interact. energy: -0.093 local terms energy: -30.985048 where: bonds (distance) C4'-P energy: -6.867 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -6.558 flat angles P-C4'-P energy: -4.462 tors. eta vs tors. theta energy: -4.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -47.759394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.759394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.759394 (E_RNA) where: Base-Base interactions energy: -19.075 where: short stacking energy: -18.598 Base-Backbone interact. energy: -0.133 local terms energy: -28.551705 where: bonds (distance) C4'-P energy: -3.824 bonds (distance) P-C4' energy: -7.999 flat angles C4'-P-C4' energy: -8.061 flat angles P-C4'-P energy: -4.520 tors. eta vs tors. theta energy: -4.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -44.135196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.135196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.135196 (E_RNA) where: Base-Base interactions energy: -20.727 where: short stacking energy: -20.727 Base-Backbone interact. energy: -0.001 local terms energy: -23.407243 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.367 flat angles C4'-P-C4' energy: -4.984 flat angles P-C4'-P energy: -2.456 tors. eta vs tors. theta energy: -3.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -40.052675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.052675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.052675 (E_RNA) where: Base-Base interactions energy: -11.701 where: short stacking energy: -11.701 Base-Backbone interact. energy: -0.086 local terms energy: -28.265136 where: bonds (distance) C4'-P energy: -6.955 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -5.262 flat angles P-C4'-P energy: -4.794 tors. eta vs tors. theta energy: -3.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -83.336655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.336655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.336655 (E_RNA) where: Base-Base interactions energy: -49.916 where: short stacking energy: -30.252 Base-Backbone interact. energy: -0.015 local terms energy: -33.405739 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -6.890 flat angles P-C4'-P energy: -3.389 tors. eta vs tors. theta energy: -8.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -63.957997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.957997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.957997 (E_RNA) where: Base-Base interactions energy: -30.445 where: short stacking energy: -22.301 Base-Backbone interact. energy: -0.067 local terms energy: -33.446740 where: bonds (distance) C4'-P energy: -7.265 bonds (distance) P-C4' energy: -7.860 flat angles C4'-P-C4' energy: -8.395 flat angles P-C4'-P energy: -4.090 tors. eta vs tors. theta energy: -5.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -62.061172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.061172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.061172 (E_RNA) where: Base-Base interactions energy: -32.501 where: short stacking energy: -22.823 Base-Backbone interact. energy: -0.008 local terms energy: -29.552293 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -7.334 flat angles P-C4'-P energy: -1.265 tors. eta vs tors. theta energy: -6.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -61.344419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.344419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.344419 (E_RNA) where: Base-Base interactions energy: -27.528 where: short stacking energy: -27.528 Base-Backbone interact. energy: -0.000 local terms energy: -33.816471 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.578 flat angles P-C4'-P energy: -5.181 tors. eta vs tors. theta energy: -5.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -56.828659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.828659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.828659 (E_RNA) where: Base-Base interactions energy: -27.956 where: short stacking energy: -21.779 Base-Backbone interact. energy: -0.006 local terms energy: -28.866926 where: bonds (distance) C4'-P energy: -7.159 bonds (distance) P-C4' energy: -6.942 flat angles C4'-P-C4' energy: -6.613 flat angles P-C4'-P energy: -4.332 tors. eta vs tors. theta energy: -3.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -49.634587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.634587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.634587 (E_RNA) where: Base-Base interactions energy: -17.207 where: short stacking energy: -17.207 Base-Backbone interact. energy: -0.050 local terms energy: -32.377418 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -8.337 flat angles P-C4'-P energy: -4.550 tors. eta vs tors. theta energy: -3.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -51.909285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.909285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.909285 (E_RNA) where: Base-Base interactions energy: -21.937 where: short stacking energy: -18.587 Base-Backbone interact. energy: -0.009 local terms energy: -29.963718 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -7.718 flat angles P-C4'-P energy: -1.682 tors. eta vs tors. theta energy: -5.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -44.112990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.112990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.112990 (E_RNA) where: Base-Base interactions energy: -20.346 where: short stacking energy: -20.346 Base-Backbone interact. energy: 0.036 local terms energy: -23.802372 where: bonds (distance) C4'-P energy: -3.177 bonds (distance) P-C4' energy: -7.439 flat angles C4'-P-C4' energy: -6.572 flat angles P-C4'-P energy: -5.381 tors. eta vs tors. theta energy: -1.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -39.504276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.504276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.504276 (E_RNA) where: Base-Base interactions energy: -10.708 where: short stacking energy: -10.708 Base-Backbone interact. energy: -0.006 local terms energy: -28.790522 where: bonds (distance) C4'-P energy: -6.685 bonds (distance) P-C4' energy: -6.045 flat angles C4'-P-C4' energy: -7.647 flat angles P-C4'-P energy: -5.586 tors. eta vs tors. theta energy: -2.827 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: 2 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -45.018989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.018989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.018989 (E_RNA) where: Base-Base interactions energy: -21.496 where: short stacking energy: -14.623 Base-Backbone interact. energy: -0.444 local terms energy: -23.079789 where: bonds (distance) C4'-P energy: -3.626 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.672 flat angles P-C4'-P energy: -4.686 tors. eta vs tors. theta energy: -0.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -64.410789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.410789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.410789 (E_RNA) where: Base-Base interactions energy: -26.992 where: short stacking energy: -26.992 Base-Backbone interact. energy: -0.000 local terms energy: -37.418801 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -8.425 flat angles P-C4'-P energy: -5.936 tors. eta vs tors. theta energy: -7.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -66.991594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.991594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.991594 (E_RNA) where: Base-Base interactions energy: -30.173 where: short stacking energy: -30.173 Base-Backbone interact. energy: -0.000 local terms energy: -36.818011 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -6.326 flat angles P-C4'-P energy: -6.025 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: 3, replica: 6 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -55.371704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.371704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.371704 (E_RNA) where: Base-Base interactions energy: -23.169 where: short stacking energy: -23.169 Base-Backbone interact. energy: -0.067 local terms energy: -32.135285 where: bonds (distance) C4'-P energy: -3.671 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -7.215 flat angles P-C4'-P energy: -5.465 tors. eta vs tors. theta energy: -7.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -64.701201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.701201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.701201 (E_RNA) where: Base-Base interactions energy: -34.375 where: short stacking energy: -19.204 Base-Backbone interact. energy: -0.087 local terms energy: -30.239322 where: bonds (distance) C4'-P energy: -4.504 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.294 flat angles P-C4'-P energy: -6.512 tors. eta vs tors. theta energy: -1.584 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: 370 Temperature: 1.100000 Total energy: -46.163413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.163413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.163413 (E_RNA) where: Base-Base interactions energy: -18.215 where: short stacking energy: -18.215 Base-Backbone interact. energy: -0.005 local terms energy: -27.943160 where: bonds (distance) C4'-P energy: -6.620 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.730 flat angles P-C4'-P energy: -2.258 tors. eta vs tors. theta energy: -3.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -55.397076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.397076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.397076 (E_RNA) where: Base-Base interactions energy: -22.006 where: short stacking energy: -22.006 Base-Backbone interact. energy: -0.005 local terms energy: -33.386305 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -5.887 flat angles P-C4'-P energy: -4.266 tors. eta vs tors. theta energy: -5.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -52.262876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.262876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.262876 (E_RNA) where: Base-Base interactions energy: -23.609 where: short stacking energy: -16.688 Base-Backbone interact. energy: -0.064 local terms energy: -28.590580 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -4.946 flat angles P-C4'-P energy: -5.745 tors. eta vs tors. theta energy: -1.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -47.555227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.555227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.555227 (E_RNA) where: Base-Base interactions energy: -19.232 where: short stacking energy: -19.232 Base-Backbone interact. energy: -0.001 local terms energy: -28.322444 where: bonds (distance) C4'-P energy: -7.331 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -5.582 flat angles P-C4'-P energy: -3.835 tors. eta vs tors. theta energy: -4.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -38.549542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.549542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.549542 (E_RNA) where: Base-Base interactions energy: -12.420 where: short stacking energy: -12.420 Base-Backbone interact. energy: -0.056 local terms energy: -26.074049 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -4.924 flat angles P-C4'-P energy: -5.862 tors. eta vs tors. theta energy: -1.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -45.435971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.435971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.435971 (E_RNA) where: Base-Base interactions energy: -20.565 where: short stacking energy: -13.776 Base-Backbone interact. energy: -0.007 local terms energy: -24.863793 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -5.970 flat angles C4'-P-C4' energy: -7.677 flat angles P-C4'-P energy: -6.016 tors. eta vs tors. theta energy: 1.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -65.557179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.557179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.557179 (E_RNA) where: Base-Base interactions energy: -26.492 where: short stacking energy: -26.492 Base-Backbone interact. energy: -0.000 local terms energy: -39.065280 where: bonds (distance) C4'-P energy: -8.060 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -9.064 flat angles P-C4'-P energy: -6.353 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: 2, replica: 4 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -58.978317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.978317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.978317 (E_RNA) where: Base-Base interactions energy: -23.405 where: short stacking energy: -23.405 Base-Backbone interact. energy: -0.001 local terms energy: -35.572610 where: bonds (distance) C4'-P energy: -6.736 bonds (distance) P-C4' energy: -6.762 flat angles C4'-P-C4' energy: -8.086 flat angles P-C4'-P energy: -5.351 tors. eta vs tors. theta energy: -8.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -61.984716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.984716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.984716 (E_RNA) where: Base-Base interactions energy: -27.955 where: short stacking energy: -21.746 Base-Backbone interact. energy: -0.005 local terms energy: -34.024089 where: bonds (distance) C4'-P energy: -7.332 bonds (distance) P-C4' energy: -8.125 flat angles C4'-P-C4' energy: -7.591 flat angles P-C4'-P energy: -5.392 tors. eta vs tors. theta energy: -5.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -61.122443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.122443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.122443 (E_RNA) where: Base-Base interactions energy: -27.743 where: short stacking energy: -27.743 Base-Backbone interact. energy: -0.042 local terms energy: -33.337352 where: bonds (distance) C4'-P energy: -3.535 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.618 flat angles P-C4'-P energy: -6.725 tors. eta vs tors. theta energy: -6.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -51.159356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.159356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.159356 (E_RNA) where: Base-Base interactions energy: -22.156 where: short stacking energy: -22.156 Base-Backbone interact. energy: -0.025 local terms energy: -28.977519 where: bonds (distance) C4'-P energy: -5.443 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.288 flat angles P-C4'-P energy: -3.966 tors. eta vs tors. theta energy: -3.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -53.397477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.397477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.397477 (E_RNA) where: Base-Base interactions energy: -27.298 where: short stacking energy: -15.197 Base-Backbone interact. energy: -0.004 local terms energy: -26.095277 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -8.002 flat angles P-C4'-P energy: -3.358 tors. eta vs tors. theta energy: -0.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -47.439143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.439143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.439143 (E_RNA) where: Base-Base interactions energy: -18.845 where: short stacking energy: -18.129 Base-Backbone interact. energy: -0.006 local terms energy: -28.588125 where: bonds (distance) C4'-P energy: -7.722 bonds (distance) P-C4' energy: -5.539 flat angles C4'-P-C4' energy: -5.827 flat angles P-C4'-P energy: -7.661 tors. eta vs tors. theta energy: -1.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -42.879503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.879503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.879503 (E_RNA) where: Base-Base interactions energy: -12.812 where: short stacking energy: -12.812 Base-Backbone interact. energy: -0.001 local terms energy: -30.066159 where: bonds (distance) C4'-P energy: -6.876 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.899 flat angles P-C4'-P energy: -1.888 tors. eta vs tors. theta energy: -4.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -46.053480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.053480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.053480 (E_RNA) where: Base-Base interactions energy: -15.321 where: short stacking energy: -15.321 Base-Backbone interact. energy: -0.000 local terms energy: -30.731997 where: bonds (distance) C4'-P energy: -6.999 bonds (distance) P-C4' energy: -5.725 flat angles C4'-P-C4' energy: -6.346 flat angles P-C4'-P energy: -5.341 tors. eta vs tors. theta energy: -6.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -44.986898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.986898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.986898 (E_RNA) where: Base-Base interactions energy: -14.657 where: short stacking energy: -14.657 Base-Backbone interact. energy: -0.001 local terms energy: -30.329176 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.975 flat angles P-C4'-P energy: -0.639 tors. eta vs tors. theta energy: -5.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -72.062199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.062199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.062199 (E_RNA) where: Base-Base interactions energy: -33.797 where: short stacking energy: -33.797 Base-Backbone interact. energy: -0.000 local terms energy: -38.265434 where: bonds (distance) C4'-P energy: -8.644 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -8.121 flat angles P-C4'-P energy: -2.385 tors. eta vs tors. theta energy: -11.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -54.188854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.188854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.188854 (E_RNA) where: Base-Base interactions energy: -23.811 where: short stacking energy: -18.269 Base-Backbone interact. energy: -0.066 local terms energy: -30.311937 where: bonds (distance) C4'-P energy: -6.325 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -7.505 flat angles P-C4'-P energy: -5.819 tors. eta vs tors. theta energy: -2.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -55.930600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.930600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.930600 (E_RNA) where: Base-Base interactions energy: -21.669 where: short stacking energy: -21.382 Base-Backbone interact. energy: -0.000 local terms energy: -34.261356 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -5.535 flat angles C4'-P-C4' energy: -7.055 flat angles P-C4'-P energy: -6.160 tors. eta vs tors. theta energy: -7.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -62.282645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.282645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.282645 (E_RNA) where: Base-Base interactions energy: -27.480 where: short stacking energy: -22.608 Base-Backbone interact. energy: -0.009 local terms energy: -34.793935 where: bonds (distance) C4'-P energy: -6.955 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -7.925 flat angles P-C4'-P energy: -4.494 tors. eta vs tors. theta energy: -8.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -53.917209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.917209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.917209 (E_RNA) where: Base-Base interactions energy: -22.721 where: short stacking energy: -22.721 Base-Backbone interact. energy: -0.098 local terms energy: -31.099100 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -9.309 flat angles C4'-P-C4' energy: -8.341 flat angles P-C4'-P energy: -2.750 tors. eta vs tors. theta energy: -4.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -54.104147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.104147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.104147 (E_RNA) where: Base-Base interactions energy: -20.943 where: short stacking energy: -20.943 Base-Backbone interact. energy: -0.000 local terms energy: -33.161493 where: bonds (distance) C4'-P energy: -6.022 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.627 flat angles P-C4'-P energy: -6.923 tors. eta vs tors. theta energy: -4.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -45.365438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.365438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.365438 (E_RNA) where: Base-Base interactions energy: -11.744 where: short stacking energy: -9.691 Base-Backbone interact. energy: -0.262 local terms energy: -33.359670 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -7.558 flat angles P-C4'-P energy: -5.926 tors. eta vs tors. theta energy: -3.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -50.519036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.519036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.519036 (E_RNA) where: Base-Base interactions energy: -18.919 where: short stacking energy: -18.919 Base-Backbone interact. energy: -0.012 local terms energy: -31.588299 where: bonds (distance) C4'-P energy: -7.231 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -6.844 flat angles P-C4'-P energy: -4.348 tors. eta vs tors. theta energy: -3.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -49.209135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.209135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.209135 (E_RNA) where: Base-Base interactions energy: -16.668 where: short stacking energy: -16.668 Base-Backbone interact. energy: -0.056 local terms energy: -32.485457 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -8.600 flat angles C4'-P-C4' energy: -5.690 flat angles P-C4'-P energy: -6.158 tors. eta vs tors. theta energy: -4.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -39.913586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.913586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.913586 (E_RNA) where: Base-Base interactions energy: -16.740 where: short stacking energy: -15.100 Base-Backbone interact. energy: -0.044 local terms energy: -23.129515 where: bonds (distance) C4'-P energy: -5.246 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -2.695 flat angles P-C4'-P energy: -4.482 tors. eta vs tors. theta energy: -1.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -67.642016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.642016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.642016 (E_RNA) where: Base-Base interactions energy: -26.230 where: short stacking energy: -26.230 Base-Backbone interact. energy: -0.000 local terms energy: -41.411771 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -9.824 flat angles C4'-P-C4' energy: -6.303 flat angles P-C4'-P energy: -6.950 tors. eta vs tors. theta energy: -9.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -63.826371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.826371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.826371 (E_RNA) where: Base-Base interactions energy: -33.544 where: short stacking energy: -24.410 Base-Backbone interact. energy: -0.000 local terms energy: -30.281612 where: bonds (distance) C4'-P energy: -6.930 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -6.845 flat angles P-C4'-P energy: -2.357 tors. eta vs tors. theta energy: -5.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -64.149294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.149294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.149294 (E_RNA) where: Base-Base interactions energy: -25.124 where: short stacking energy: -25.124 Base-Backbone interact. energy: -0.000 local terms energy: -39.025286 where: bonds (distance) C4'-P energy: -7.340 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -8.107 flat angles P-C4'-P energy: -6.077 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: 4, replica: 6 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -63.831731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.831731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.831731 (E_RNA) where: Base-Base interactions energy: -26.060 where: short stacking energy: -26.060 Base-Backbone interact. energy: -0.000 local terms energy: -37.771325 where: bonds (distance) C4'-P energy: -6.620 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -7.677 flat angles P-C4'-P energy: -6.252 tors. eta vs tors. theta energy: -8.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -50.981027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.981027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.981027 (E_RNA) where: Base-Base interactions energy: -16.025 where: short stacking energy: -16.025 Base-Backbone interact. energy: -0.094 local terms energy: -34.862263 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -8.399 flat angles P-C4'-P energy: -6.750 tors. eta vs tors. theta energy: -5.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -47.148117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.148117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.148117 (E_RNA) where: Base-Base interactions energy: -13.288 where: short stacking energy: -13.225 Base-Backbone interact. energy: -0.000 local terms energy: -33.859439 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -7.222 flat angles P-C4'-P energy: -6.024 tors. eta vs tors. theta energy: -3.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -51.326631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.326631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.326631 (E_RNA) where: Base-Base interactions energy: -20.458 where: short stacking energy: -20.458 Base-Backbone interact. energy: -0.000 local terms energy: -30.868699 where: bonds (distance) C4'-P energy: -6.967 bonds (distance) P-C4' energy: -3.772 flat angles C4'-P-C4' energy: -7.610 flat angles P-C4'-P energy: -6.552 tors. eta vs tors. theta energy: -5.968 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: 1 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -49.243389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.243389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.243389 (E_RNA) where: Base-Base interactions energy: -21.733 where: short stacking energy: -21.733 Base-Backbone interact. energy: -0.001 local terms energy: -27.509436 where: bonds (distance) C4'-P energy: -6.938 bonds (distance) P-C4' energy: -6.818 flat angles C4'-P-C4' energy: -5.143 flat angles P-C4'-P energy: -4.616 tors. eta vs tors. theta energy: -3.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -42.422150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.422150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.422150 (E_RNA) where: Base-Base interactions energy: -12.001 where: short stacking energy: -11.930 Base-Backbone interact. energy: -0.083 local terms energy: -30.337512 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -8.362 flat angles P-C4'-P energy: -4.842 tors. eta vs tors. theta energy: -0.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -46.462733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.462733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.462733 (E_RNA) where: Base-Base interactions energy: -22.327 where: short stacking energy: -22.309 Base-Backbone interact. energy: -0.178 local terms energy: -23.957425 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -5.472 flat angles C4'-P-C4' energy: -5.345 flat angles P-C4'-P energy: -3.568 tors. eta vs tors. theta energy: -4.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -71.362100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.362100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.362100 (E_RNA) where: Base-Base interactions energy: -37.988 where: short stacking energy: -22.668 Base-Backbone interact. energy: -0.019 local terms energy: -33.354421 where: bonds (distance) C4'-P energy: -8.092 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -7.115 flat angles P-C4'-P energy: -5.844 tors. eta vs tors. theta energy: -4.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -67.292150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.292150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.292150 (E_RNA) where: Base-Base interactions energy: -31.820 where: short stacking energy: -26.433 Base-Backbone interact. energy: -0.046 local terms energy: -35.426377 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -8.717 flat angles P-C4'-P energy: -5.834 tors. eta vs tors. theta energy: -7.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -63.427745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.427745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.427745 (E_RNA) where: Base-Base interactions energy: -27.510 where: short stacking energy: -27.510 Base-Backbone interact. energy: -0.000 local terms energy: -35.917923 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -5.178 flat angles C4'-P-C4' energy: -7.998 flat angles P-C4'-P energy: -5.999 tors. eta vs tors. theta energy: -8.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -57.104282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.104282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.104282 (E_RNA) where: Base-Base interactions energy: -23.362 where: short stacking energy: -23.362 Base-Backbone interact. energy: -0.006 local terms energy: -33.736458 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -7.782 flat angles P-C4'-P energy: -4.026 tors. eta vs tors. theta energy: -5.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -49.549638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.549638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.549638 (E_RNA) where: Base-Base interactions energy: -15.989 where: short stacking energy: -15.989 Base-Backbone interact. energy: -1.076 local terms energy: -32.485047 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -8.617 flat angles P-C4'-P energy: -4.807 tors. eta vs tors. theta energy: -3.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -42.220042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.220042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.220042 (E_RNA) where: Base-Base interactions energy: -12.395 where: short stacking energy: -12.395 Base-Backbone interact. energy: -0.113 local terms energy: -29.712689 where: bonds (distance) C4'-P energy: -5.360 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -6.705 flat angles P-C4'-P energy: -5.689 tors. eta vs tors. theta energy: -3.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -40.469314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.469314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.469314 (E_RNA) where: Base-Base interactions energy: -15.728 where: short stacking energy: -11.801 Base-Backbone interact. energy: -0.159 local terms energy: -24.582251 where: bonds (distance) C4'-P energy: -5.220 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.297 flat angles P-C4'-P energy: -6.283 tors. eta vs tors. theta energy: 0.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -46.886773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.886773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.886773 (E_RNA) where: Base-Base interactions energy: -16.991 where: short stacking energy: -14.089 Base-Backbone interact. energy: -0.008 local terms energy: -29.888337 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -8.040 flat angles P-C4'-P energy: -2.959 tors. eta vs tors. theta energy: -1.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -44.118690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.118690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.118690 (E_RNA) where: Base-Base interactions energy: -17.420 where: short stacking energy: -17.420 Base-Backbone interact. energy: -0.007 local terms energy: -26.691289 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -7.404 flat angles C4'-P-C4' energy: -4.610 flat angles P-C4'-P energy: -5.502 tors. eta vs tors. theta energy: -1.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -43.968826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.968826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.968826 (E_RNA) where: Base-Base interactions energy: -12.456 where: short stacking energy: -12.456 Base-Backbone interact. energy: -0.088 local terms energy: -31.425400 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -6.558 flat angles P-C4'-P energy: -5.873 tors. eta vs tors. theta energy: -1.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -71.450657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.450657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.450657 (E_RNA) where: Base-Base interactions energy: -35.012 where: short stacking energy: -26.349 Base-Backbone interact. energy: -0.870 local terms energy: -35.569109 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -7.815 flat angles C4'-P-C4' energy: -6.826 flat angles P-C4'-P energy: -5.709 tors. eta vs tors. theta energy: -7.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -60.232104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.232104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.232104 (E_RNA) where: Base-Base interactions energy: -23.232 where: short stacking energy: -23.232 Base-Backbone interact. energy: -0.093 local terms energy: -36.906962 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -8.200 flat angles P-C4'-P energy: -6.388 tors. eta vs tors. theta energy: -5.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -67.388703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.388703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.388703 (E_RNA) where: Base-Base interactions energy: -37.542 where: short stacking energy: -24.658 Base-Backbone interact. energy: -0.005 local terms energy: -29.841690 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -7.329 flat angles P-C4'-P energy: -4.714 tors. eta vs tors. theta energy: -4.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -62.591510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.591510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.591510 (E_RNA) where: Base-Base interactions energy: -28.350 where: short stacking energy: -27.863 Base-Backbone interact. energy: -0.000 local terms energy: -34.241017 where: bonds (distance) C4'-P energy: -7.203 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.794 flat angles P-C4'-P energy: -2.934 tors. eta vs tors. theta energy: -7.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -50.974826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.974826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.974826 (E_RNA) where: Base-Base interactions energy: -21.917 where: short stacking energy: -21.917 Base-Backbone interact. energy: -0.002 local terms energy: -29.056140 where: bonds (distance) C4'-P energy: -6.897 bonds (distance) P-C4' energy: -8.237 flat angles C4'-P-C4' energy: -6.843 flat angles P-C4'-P energy: -2.805 tors. eta vs tors. theta energy: -4.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -49.748042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.748042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.748042 (E_RNA) where: Base-Base interactions energy: -19.928 where: short stacking energy: -19.928 Base-Backbone interact. energy: -0.077 local terms energy: -29.743049 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -8.839 flat angles P-C4'-P energy: -2.283 tors. eta vs tors. theta energy: -2.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -49.705276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.705276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.705276 (E_RNA) where: Base-Base interactions energy: -18.521 where: short stacking energy: -18.521 Base-Backbone interact. energy: -0.002 local terms energy: -31.181702 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -8.032 flat angles P-C4'-P energy: -2.382 tors. eta vs tors. theta energy: -3.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -43.705888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.705888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.705888 (E_RNA) where: Base-Base interactions energy: -15.278 where: short stacking energy: -15.278 Base-Backbone interact. energy: -0.101 local terms energy: -28.326633 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -7.820 flat angles C4'-P-C4' energy: -5.267 flat angles P-C4'-P energy: -3.693 tors. eta vs tors. theta energy: -2.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -38.255331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.255331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.255331 (E_RNA) where: Base-Base interactions energy: -9.808 where: short stacking energy: -9.808 Base-Backbone interact. energy: -0.101 local terms energy: -28.345990 where: bonds (distance) C4'-P energy: -7.124 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.266 flat angles P-C4'-P energy: -5.183 tors. eta vs tors. theta energy: -0.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -46.230334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.230334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.230334 (E_RNA) where: Base-Base interactions energy: -16.643 where: short stacking energy: -16.643 Base-Backbone interact. energy: -0.121 local terms energy: -29.466446 where: bonds (distance) C4'-P energy: -6.553 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -6.306 flat angles P-C4'-P energy: -5.880 tors. eta vs tors. theta energy: -1.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -68.439969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.439969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.439969 (E_RNA) where: Base-Base interactions energy: -29.156 where: short stacking energy: -29.156 Base-Backbone interact. energy: -0.000 local terms energy: -39.284322 where: bonds (distance) C4'-P energy: -6.540 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -7.653 flat angles P-C4'-P energy: -6.910 tors. eta vs tors. theta energy: -9.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -62.075640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.075640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.075640 (E_RNA) where: Base-Base interactions energy: -24.354 where: short stacking energy: -24.354 Base-Backbone interact. energy: -0.001 local terms energy: -37.720683 where: bonds (distance) C4'-P energy: -7.439 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -9.145 flat angles P-C4'-P energy: -7.290 tors. eta vs tors. theta energy: -6.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -53.775768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.775768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.775768 (E_RNA) where: Base-Base interactions energy: -22.030 where: short stacking energy: -22.030 Base-Backbone interact. energy: -0.059 local terms energy: -31.686659 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -6.345 flat angles C4'-P-C4' energy: -8.006 flat angles P-C4'-P energy: -4.770 tors. eta vs tors. theta energy: -4.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -56.704548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.704548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.704548 (E_RNA) where: Base-Base interactions energy: -24.965 where: short stacking energy: -22.636 Base-Backbone interact. energy: -0.000 local terms energy: -31.739401 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -7.485 flat angles P-C4'-P energy: -4.404 tors. eta vs tors. theta energy: -5.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -51.702121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.702121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.702121 (E_RNA) where: Base-Base interactions energy: -20.886 where: short stacking energy: -13.490 Base-Backbone interact. energy: -0.013 local terms energy: -30.803506 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -6.464 flat angles P-C4'-P energy: -4.448 tors. eta vs tors. theta energy: -3.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -50.686109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.686109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.686109 (E_RNA) where: Base-Base interactions energy: -16.272 where: short stacking energy: -16.272 Base-Backbone interact. energy: -0.003 local terms energy: -34.410806 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -7.955 flat angles P-C4'-P energy: -3.697 tors. eta vs tors. theta energy: -6.328 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: 3 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -48.735043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.735043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.735043 (E_RNA) where: Base-Base interactions energy: -18.882 where: short stacking energy: -17.833 Base-Backbone interact. energy: -0.001 local terms energy: -29.852434 where: bonds (distance) C4'-P energy: -2.678 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -8.277 flat angles P-C4'-P energy: -5.900 tors. eta vs tors. theta energy: -3.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -41.362383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.362383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.362383 (E_RNA) where: Base-Base interactions energy: -13.549 where: short stacking energy: -13.549 Base-Backbone interact. energy: -0.026 local terms energy: -27.787507 where: bonds (distance) C4'-P energy: -5.804 bonds (distance) P-C4' energy: -8.027 flat angles C4'-P-C4' energy: -8.241 flat angles P-C4'-P energy: -3.955 tors. eta vs tors. theta energy: -1.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -48.631835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.631835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.631835 (E_RNA) where: Base-Base interactions energy: -18.473 where: short stacking energy: -17.620 Base-Backbone interact. energy: -0.038 local terms energy: -30.121322 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -8.051 flat angles P-C4'-P energy: -5.081 tors. eta vs tors. theta energy: -2.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -43.003866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.003866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.003866 (E_RNA) where: Base-Base interactions energy: -16.996 where: short stacking energy: -17.096 Base-Backbone interact. energy: -0.118 local terms energy: -25.889340 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -7.788 flat angles P-C4'-P energy: -2.786 tors. eta vs tors. theta energy: -2.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -68.170510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.170510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.170510 (E_RNA) where: Base-Base interactions energy: -31.623 where: short stacking energy: -31.623 Base-Backbone interact. energy: -0.000 local terms energy: -36.547032 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.288 flat angles P-C4'-P energy: -2.776 tors. eta vs tors. theta energy: -8.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -57.905253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.905253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.905253 (E_RNA) where: Base-Base interactions energy: -21.926 where: short stacking energy: -15.025 Base-Backbone interact. energy: -0.002 local terms energy: -35.977458 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -8.250 flat angles P-C4'-P energy: -6.564 tors. eta vs tors. theta energy: -4.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -58.634839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.634839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.634839 (E_RNA) where: Base-Base interactions energy: -29.339 where: short stacking energy: -16.959 Base-Backbone interact. energy: -0.000 local terms energy: -29.295411 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -4.244 flat angles P-C4'-P energy: -6.374 tors. eta vs tors. theta energy: -2.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -55.977674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.977674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.977674 (E_RNA) where: Base-Base interactions energy: -20.609 where: short stacking energy: -20.609 Base-Backbone interact. energy: -0.005 local terms energy: -35.363811 where: bonds (distance) C4'-P energy: -7.758 bonds (distance) P-C4' energy: -7.340 flat angles C4'-P-C4' energy: -7.940 flat angles P-C4'-P energy: -4.408 tors. eta vs tors. theta energy: -7.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -50.809376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.809376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.809376 (E_RNA) where: Base-Base interactions energy: -22.566 where: short stacking energy: -19.247 Base-Backbone interact. energy: -0.063 local terms energy: -28.180505 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.276 flat angles C4'-P-C4' energy: -7.614 flat angles P-C4'-P energy: -3.883 tors. eta vs tors. theta energy: -3.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -44.300127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.300127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.300127 (E_RNA) where: Base-Base interactions energy: -13.533 where: short stacking energy: -13.533 Base-Backbone interact. energy: -0.086 local terms energy: -30.681132 where: bonds (distance) C4'-P energy: -7.290 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -8.640 flat angles P-C4'-P energy: -4.264 tors. eta vs tors. theta energy: -2.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -49.615462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.615462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.615462 (E_RNA) where: Base-Base interactions energy: -19.065 where: short stacking energy: -9.290 Base-Backbone interact. energy: -0.068 local terms energy: -30.482146 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.415 flat angles P-C4'-P energy: -4.011 tors. eta vs tors. theta energy: -0.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -44.137989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.137989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.137989 (E_RNA) where: Base-Base interactions energy: -20.272 where: short stacking energy: -13.498 Base-Backbone interact. energy: -0.051 local terms energy: -23.814958 where: bonds (distance) C4'-P energy: -6.889 bonds (distance) P-C4' energy: -7.270 flat angles C4'-P-C4' energy: -3.920 flat angles P-C4'-P energy: -3.369 tors. eta vs tors. theta energy: -2.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -38.906800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.906800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.906800 (E_RNA) where: Base-Base interactions energy: -10.598 where: short stacking energy: -10.598 Base-Backbone interact. energy: -0.097 local terms energy: -28.211970 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -6.434 flat angles P-C4'-P energy: -5.544 tors. eta vs tors. theta energy: -1.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -46.614539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.614539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.614539 (E_RNA) where: Base-Base interactions energy: -17.575 where: short stacking energy: -17.575 Base-Backbone interact. energy: -0.015 local terms energy: -29.024313 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -8.343 flat angles C4'-P-C4' energy: -6.486 flat angles P-C4'-P energy: -5.235 tors. eta vs tors. theta energy: -4.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -65.590515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.590515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.590515 (E_RNA) where: Base-Base interactions energy: -28.138 where: short stacking energy: -27.943 Base-Backbone interact. energy: -0.099 local terms energy: -37.353510 where: bonds (distance) C4'-P energy: -7.204 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -8.590 flat angles P-C4'-P energy: -4.868 tors. eta vs tors. theta energy: -7.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -59.912252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.912252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.912252 (E_RNA) where: Base-Base interactions energy: -23.843 where: short stacking energy: -23.843 Base-Backbone interact. energy: -0.028 local terms energy: -36.041228 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -8.195 flat angles P-C4'-P energy: -6.699 tors. eta vs tors. theta energy: -4.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -53.093615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.093615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.093615 (E_RNA) where: Base-Base interactions energy: -21.196 where: short stacking energy: -17.714 Base-Backbone interact. energy: -0.017 local terms energy: -31.880403 where: bonds (distance) C4'-P energy: -4.401 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -7.475 flat angles P-C4'-P energy: -3.960 tors. eta vs tors. theta energy: -6.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -54.358701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.358701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.358701 (E_RNA) where: Base-Base interactions energy: -23.232 where: short stacking energy: -23.232 Base-Backbone interact. energy: -0.020 local terms energy: -31.107005 where: bonds (distance) C4'-P energy: -3.912 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -6.911 flat angles P-C4'-P energy: -5.428 tors. eta vs tors. theta energy: -5.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -47.696497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.696497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.696497 (E_RNA) where: Base-Base interactions energy: -14.745 where: short stacking energy: -14.745 Base-Backbone interact. energy: -0.000 local terms energy: -32.951189 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.228 flat angles P-C4'-P energy: -6.655 tors. eta vs tors. theta energy: -5.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -51.933482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.933482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.933482 (E_RNA) where: Base-Base interactions energy: -20.182 where: short stacking energy: -16.734 Base-Backbone interact. energy: -0.089 local terms energy: -31.661766 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -6.730 flat angles P-C4'-P energy: -4.907 tors. eta vs tors. theta energy: -3.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -50.228914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.228914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.228914 (E_RNA) where: Base-Base interactions energy: -19.432 where: short stacking energy: -19.432 Base-Backbone interact. energy: -0.000 local terms energy: -30.796446 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -7.653 flat angles P-C4'-P energy: -4.554 tors. eta vs tors. theta energy: -4.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -45.429515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.429515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.429515 (E_RNA) where: Base-Base interactions energy: -17.369 where: short stacking energy: -13.026 Base-Backbone interact. energy: -0.162 local terms energy: -27.898486 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.836 flat angles P-C4'-P energy: -5.960 tors. eta vs tors. theta energy: -2.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -46.828839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.828839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.828839 (E_RNA) where: Base-Base interactions energy: -21.239 where: short stacking energy: -12.115 Base-Backbone interact. energy: 1.685 local terms energy: -27.274536 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -6.497 flat angles C4'-P-C4' energy: -7.884 flat angles P-C4'-P energy: -2.496 tors. eta vs tors. theta energy: -2.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -43.977440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.977440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.977440 (E_RNA) where: Base-Base interactions energy: -19.003 where: short stacking energy: -19.003 Base-Backbone interact. energy: -0.024 local terms energy: -24.950772 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -6.175 flat angles C4'-P-C4' energy: -8.210 flat angles P-C4'-P energy: 1.341 tors. eta vs tors. theta energy: -5.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -73.814929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.814929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.814929 (E_RNA) where: Base-Base interactions energy: -41.744 where: short stacking energy: -26.575 Base-Backbone interact. energy: 2.316 local terms energy: -34.386814 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -8.663 flat angles P-C4'-P energy: -5.556 tors. eta vs tors. theta energy: -5.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -67.658166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.658166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.658166 (E_RNA) where: Base-Base interactions energy: -31.532 where: short stacking energy: -31.382 Base-Backbone interact. energy: -0.001 local terms energy: -36.125843 where: bonds (distance) C4'-P energy: -6.521 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -8.708 flat angles P-C4'-P energy: -4.269 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: 3, replica: 6 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -56.270915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.270915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.270915 (E_RNA) where: Base-Base interactions energy: -23.103 where: short stacking energy: -23.103 Base-Backbone interact. energy: -0.020 local terms energy: -33.148414 where: bonds (distance) C4'-P energy: -8.851 bonds (distance) P-C4' energy: -7.646 flat angles C4'-P-C4' energy: -5.397 flat angles P-C4'-P energy: -5.968 tors. eta vs tors. theta energy: -5.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -57.712452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.712452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.712452 (E_RNA) where: Base-Base interactions energy: -20.854 where: short stacking energy: -20.854 Base-Backbone interact. energy: -0.001 local terms energy: -36.857336 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -8.759 flat angles P-C4'-P energy: -6.736 tors. eta vs tors. theta energy: -4.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -59.268415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.268415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.268415 (E_RNA) where: Base-Base interactions energy: -25.070 where: short stacking energy: -25.070 Base-Backbone interact. energy: -0.011 local terms energy: -34.187547 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -7.494 flat angles C4'-P-C4' energy: -5.887 flat angles P-C4'-P energy: -7.468 tors. eta vs tors. theta energy: -4.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -51.968955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.968955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.968955 (E_RNA) where: Base-Base interactions energy: -21.055 where: short stacking energy: -21.055 Base-Backbone interact. energy: -0.000 local terms energy: -30.913932 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.833 flat angles P-C4'-P energy: -3.593 tors. eta vs tors. theta energy: -3.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -43.231864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.231864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.231864 (E_RNA) where: Base-Base interactions energy: -12.801 where: short stacking energy: -12.801 Base-Backbone interact. energy: -0.547 local terms energy: -29.884501 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -7.290 flat angles C4'-P-C4' energy: -8.081 flat angles P-C4'-P energy: -4.188 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: 8, replica: 2 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -48.199513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.199513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.199513 (E_RNA) where: Base-Base interactions energy: -18.431 where: short stacking energy: -18.431 Base-Backbone interact. energy: -0.000 local terms energy: -29.768131 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -7.135 flat angles C4'-P-C4' energy: -7.371 flat angles P-C4'-P energy: -4.010 tors. eta vs tors. theta energy: -3.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -54.302180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.302180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.302180 (E_RNA) where: Base-Base interactions energy: -20.142 where: short stacking energy: -20.142 Base-Backbone interact. energy: -0.000 local terms energy: -34.159643 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -5.432 flat angles P-C4'-P energy: -5.812 tors. eta vs tors. theta energy: -5.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -38.185421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.185421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.185421 (E_RNA) where: Base-Base interactions energy: -13.743 where: short stacking energy: -11.830 Base-Backbone interact. energy: 0.075 local terms energy: -24.517138 where: bonds (distance) C4'-P energy: -6.710 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.652 flat angles P-C4'-P energy: -3.637 tors. eta vs tors. theta energy: 3.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -70.481950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.481950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.481950 (E_RNA) where: Base-Base interactions energy: -32.404 where: short stacking energy: -26.471 Base-Backbone interact. energy: -0.000 local terms energy: -38.077299 where: bonds (distance) C4'-P energy: -8.458 bonds (distance) P-C4' energy: -7.622 flat angles C4'-P-C4' energy: -7.203 flat angles P-C4'-P energy: -7.460 tors. eta vs tors. theta energy: -7.335 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: 8 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -75.150599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.150599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.150599 (E_RNA) where: Base-Base interactions energy: -38.371 where: short stacking energy: -22.483 Base-Backbone interact. energy: 1.014 local terms energy: -37.793636 where: bonds (distance) C4'-P energy: -7.700 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -8.197 flat angles P-C4'-P energy: -6.985 tors. eta vs tors. theta energy: -6.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -64.223348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.223348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.223348 (E_RNA) where: Base-Base interactions energy: -30.461 where: short stacking energy: -24.578 Base-Backbone interact. energy: -0.097 local terms energy: -33.665613 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.685 flat angles P-C4'-P energy: -4.840 tors. eta vs tors. theta energy: -6.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -57.653411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.653411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.653411 (E_RNA) where: Base-Base interactions energy: -25.406 where: short stacking energy: -21.846 Base-Backbone interact. energy: -0.000 local terms energy: -32.247191 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -8.076 flat angles P-C4'-P energy: -0.187 tors. eta vs tors. theta energy: -8.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -52.682993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.682993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.682993 (E_RNA) where: Base-Base interactions energy: -18.796 where: short stacking energy: -18.686 Base-Backbone interact. energy: -0.085 local terms energy: -33.802661 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -8.377 flat angles P-C4'-P energy: -4.741 tors. eta vs tors. theta energy: -5.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -45.918280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.918280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.918280 (E_RNA) where: Base-Base interactions energy: -16.478 where: short stacking energy: -15.834 Base-Backbone interact. energy: 0.042 local terms energy: -29.481576 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -5.936 flat angles C4'-P-C4' energy: -5.929 flat angles P-C4'-P energy: -4.581 tors. eta vs tors. theta energy: -4.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -51.123378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.123378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.123378 (E_RNA) where: Base-Base interactions energy: -21.692 where: short stacking energy: -21.692 Base-Backbone interact. energy: -0.211 local terms energy: -29.219717 where: bonds (distance) C4'-P energy: -7.709 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -4.908 flat angles P-C4'-P energy: -4.234 tors. eta vs tors. theta energy: -3.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -55.393327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.393327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.393327 (E_RNA) where: Base-Base interactions energy: -28.986 where: short stacking energy: -18.366 Base-Backbone interact. energy: -0.001 local terms energy: -26.406387 where: bonds (distance) C4'-P energy: -6.859 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -3.026 flat angles P-C4'-P energy: -4.971 tors. eta vs tors. theta energy: -3.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -39.208193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.208193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.208193 (E_RNA) where: Base-Base interactions energy: -14.145 where: short stacking energy: -13.223 Base-Backbone interact. energy: -0.035 local terms energy: -25.027942 where: bonds (distance) C4'-P energy: -5.563 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -8.266 flat angles P-C4'-P energy: -5.149 tors. eta vs tors. theta energy: 1.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -38.388491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.388491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.388491 (E_RNA) where: Base-Base interactions energy: -13.077 where: short stacking energy: -13.077 Base-Backbone interact. energy: -0.117 local terms energy: -25.194532 where: bonds (distance) C4'-P energy: -4.558 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -5.143 flat angles P-C4'-P energy: -3.794 tors. eta vs tors. theta energy: -2.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -66.445564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.445564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.445564 (E_RNA) where: Base-Base interactions energy: -31.785 where: short stacking energy: -21.740 Base-Backbone interact. energy: -0.000 local terms energy: -34.661010 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -7.858 flat angles P-C4'-P energy: -3.697 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: 2, replica: 8 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -67.796942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.796942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.796942 (E_RNA) where: Base-Base interactions energy: -32.638 where: short stacking energy: -22.971 Base-Backbone interact. energy: -0.029 local terms energy: -35.129148 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -7.186 flat angles C4'-P-C4' energy: -8.280 flat angles P-C4'-P energy: -6.035 tors. eta vs tors. theta energy: -5.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -58.829260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.829260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.829260 (E_RNA) where: Base-Base interactions energy: -29.064 where: short stacking energy: -11.884 Base-Backbone interact. energy: -0.243 local terms energy: -29.522441 where: bonds (distance) C4'-P energy: -6.519 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -7.547 flat angles P-C4'-P energy: -5.921 tors. eta vs tors. theta energy: -0.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -49.389513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.389513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.389513 (E_RNA) where: Base-Base interactions energy: -17.967 where: short stacking energy: -17.256 Base-Backbone interact. energy: -0.342 local terms energy: -31.080131 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.461 flat angles P-C4'-P energy: -4.680 tors. eta vs tors. theta energy: -3.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -70.068936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.068936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.068936 (E_RNA) where: Base-Base interactions energy: -41.859 where: short stacking energy: -26.955 Base-Backbone interact. energy: -0.008 local terms energy: -28.202077 where: bonds (distance) C4'-P energy: -6.175 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -6.305 flat angles P-C4'-P energy: -0.941 tors. eta vs tors. theta energy: -7.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -52.238217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.238217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.238217 (E_RNA) where: Base-Base interactions energy: -30.428 where: short stacking energy: -13.228 Base-Backbone interact. energy: 0.103 local terms energy: -21.913368 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -4.849 flat angles P-C4'-P energy: -3.879 tors. eta vs tors. theta energy: 0.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -61.167863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.167863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.167863 (E_RNA) where: Base-Base interactions energy: -23.333 where: short stacking energy: -23.333 Base-Backbone interact. energy: -0.000 local terms energy: -37.834362 where: bonds (distance) C4'-P energy: -5.332 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -8.757 flat angles P-C4'-P energy: -4.478 tors. eta vs tors. theta energy: -9.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -45.891934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.891934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.891934 (E_RNA) where: Base-Base interactions energy: -19.872 where: short stacking energy: -17.891 Base-Backbone interact. energy: -0.005 local terms energy: -26.014567 where: bonds (distance) C4'-P energy: -1.755 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -5.955 flat angles P-C4'-P energy: -4.012 tors. eta vs tors. theta energy: -5.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -42.465778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.465778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.465778 (E_RNA) where: Base-Base interactions energy: -16.263 where: short stacking energy: -11.423 Base-Backbone interact. energy: -0.094 local terms energy: -26.108557 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -5.176 flat angles P-C4'-P energy: -2.862 tors. eta vs tors. theta energy: -2.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -43.246415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.246415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.246415 (E_RNA) where: Base-Base interactions energy: -15.131 where: short stacking energy: -14.995 Base-Backbone interact. energy: -0.130 local terms energy: -27.985904 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -3.730 flat angles P-C4'-P energy: -6.554 tors. eta vs tors. theta energy: -1.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -81.990270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.990270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.990270 (E_RNA) where: Base-Base interactions energy: -47.531 where: short stacking energy: -30.859 Base-Backbone interact. energy: -0.000 local terms energy: -34.458782 where: bonds (distance) C4'-P energy: -6.702 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -8.514 flat angles P-C4'-P energy: -4.564 tors. eta vs tors. theta energy: -6.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -87.975659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.975659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.975659 (E_RNA) where: Base-Base interactions energy: -50.788 where: short stacking energy: -30.860 Base-Backbone interact. energy: -0.017 local terms energy: -37.170341 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.417 flat angles C4'-P-C4' energy: -8.110 flat angles P-C4'-P energy: -5.929 tors. eta vs tors. theta energy: -7.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -56.050805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.050805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.050805 (E_RNA) where: Base-Base interactions energy: -21.564 where: short stacking energy: -21.564 Base-Backbone interact. energy: -0.013 local terms energy: -34.473819 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -8.580 flat angles P-C4'-P energy: -3.209 tors. eta vs tors. theta energy: -6.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -53.338592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.338592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.338592 (E_RNA) where: Base-Base interactions energy: -19.399 where: short stacking energy: -19.364 Base-Backbone interact. energy: -0.000 local terms energy: -33.939514 where: bonds (distance) C4'-P energy: -8.291 bonds (distance) P-C4' energy: -8.288 flat angles C4'-P-C4' energy: -7.990 flat angles P-C4'-P energy: -2.978 tors. eta vs tors. theta energy: -6.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -56.762277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.762277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.762277 (E_RNA) where: Base-Base interactions energy: -27.482 where: short stacking energy: -13.969 Base-Backbone interact. energy: 0.284 local terms energy: -29.563416 where: bonds (distance) C4'-P energy: -6.657 bonds (distance) P-C4' energy: -7.385 flat angles C4'-P-C4' energy: -8.212 flat angles P-C4'-P energy: -5.531 tors. eta vs tors. theta energy: -1.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -49.860212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.860212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.860212 (E_RNA) where: Base-Base interactions energy: -24.696 where: short stacking energy: -19.861 Base-Backbone interact. energy: 1.842 local terms energy: -27.006976 where: bonds (distance) C4'-P energy: -5.485 bonds (distance) P-C4' energy: -5.082 flat angles C4'-P-C4' energy: -5.796 flat angles P-C4'-P energy: -6.491 tors. eta vs tors. theta energy: -4.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -44.316065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.316065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.316065 (E_RNA) where: Base-Base interactions energy: -16.595 where: short stacking energy: -8.050 Base-Backbone interact. energy: -0.041 local terms energy: -27.679762 where: bonds (distance) C4'-P energy: -6.674 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -8.071 flat angles P-C4'-P energy: -3.890 tors. eta vs tors. theta energy: -1.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -45.525465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.525465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.525465 (E_RNA) where: Base-Base interactions energy: -16.123 where: short stacking energy: -16.123 Base-Backbone interact. energy: -0.023 local terms energy: -29.378702 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -6.041 flat angles P-C4'-P energy: -4.641 tors. eta vs tors. theta energy: -3.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -42.766236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.766236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.766236 (E_RNA) where: Base-Base interactions energy: -15.141 where: short stacking energy: -15.141 Base-Backbone interact. energy: -0.001 local terms energy: -27.624653 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -7.531 flat angles P-C4'-P energy: -3.405 tors. eta vs tors. theta energy: -3.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -47.107197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.107197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.107197 (E_RNA) where: Base-Base interactions energy: -17.881 where: short stacking energy: -17.881 Base-Backbone interact. energy: 1.585 local terms energy: -30.811321 where: bonds (distance) C4'-P energy: -7.058 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -7.915 flat angles P-C4'-P energy: -6.622 tors. eta vs tors. theta energy: -2.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -80.525756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.525756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.525756 (E_RNA) where: Base-Base interactions energy: -46.266 where: short stacking energy: -30.282 Base-Backbone interact. energy: -0.001 local terms energy: -34.259278 where: bonds (distance) C4'-P energy: -7.555 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.780 flat angles P-C4'-P energy: -5.545 tors. eta vs tors. theta energy: -8.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -70.096340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.096340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.096340 (E_RNA) where: Base-Base interactions energy: -35.978 where: short stacking energy: -26.244 Base-Backbone interact. energy: -0.086 local terms energy: -34.032703 where: bonds (distance) C4'-P energy: -7.853 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -7.070 flat angles P-C4'-P energy: -5.866 tors. eta vs tors. theta energy: -5.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -59.999604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.999604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.999604 (E_RNA) where: Base-Base interactions energy: -29.782 where: short stacking energy: -26.805 Base-Backbone interact. energy: -0.018 local terms energy: -30.199954 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -4.744 flat angles P-C4'-P energy: -5.409 tors. eta vs tors. theta energy: -5.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -65.902319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.902319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.902319 (E_RNA) where: Base-Base interactions energy: -28.318 where: short stacking energy: -28.318 Base-Backbone interact. energy: -0.003 local terms energy: -37.581469 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -5.373 flat angles P-C4'-P energy: -6.477 tors. eta vs tors. theta energy: -9.831 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: 6 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -54.468717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.468717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.468717 (E_RNA) where: Base-Base interactions energy: -21.566 where: short stacking energy: -20.041 Base-Backbone interact. energy: -0.038 local terms energy: -32.864196 where: bonds (distance) C4'-P energy: -4.987 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.229 flat angles P-C4'-P energy: -5.976 tors. eta vs tors. theta energy: -5.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -46.910280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.910280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.910280 (E_RNA) where: Base-Base interactions energy: -18.697 where: short stacking energy: -15.871 Base-Backbone interact. energy: -0.145 local terms energy: -28.067894 where: bonds (distance) C4'-P energy: -5.001 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.917 flat angles P-C4'-P energy: -2.739 tors. eta vs tors. theta energy: -3.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -45.296555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.296555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.296555 (E_RNA) where: Base-Base interactions energy: -14.291 where: short stacking energy: -10.787 Base-Backbone interact. energy: -0.034 local terms energy: -30.970795 where: bonds (distance) C4'-P energy: -5.253 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.320 flat angles P-C4'-P energy: -5.637 tors. eta vs tors. theta energy: -2.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -45.799369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.799369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.799369 (E_RNA) where: Base-Base interactions energy: -18.436 where: short stacking energy: -18.436 Base-Backbone interact. energy: -0.054 local terms energy: -27.309595 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -5.903 flat angles C4'-P-C4' energy: -8.215 flat angles P-C4'-P energy: -5.518 tors. eta vs tors. theta energy: -1.594 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: 9, replica: 10 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -44.107362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.107362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.107362 (E_RNA) where: Base-Base interactions energy: -13.143 where: short stacking energy: -12.672 Base-Backbone interact. energy: -0.000 local terms energy: -30.964260 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -7.889 flat angles C4'-P-C4' energy: -8.950 flat angles P-C4'-P energy: -5.000 tors. eta vs tors. theta energy: -3.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -43.064973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.064973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.064973 (E_RNA) where: Base-Base interactions energy: -13.362 where: short stacking energy: -13.362 Base-Backbone interact. energy: -0.094 local terms energy: -29.608536 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -4.823 flat angles C4'-P-C4' energy: -6.667 flat angles P-C4'-P energy: -4.224 tors. eta vs tors. theta energy: -5.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -58.131677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.131677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.131677 (E_RNA) where: Base-Base interactions energy: -23.474 where: short stacking energy: -23.474 Base-Backbone interact. energy: -0.090 local terms energy: -34.566828 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -8.261 flat angles P-C4'-P energy: -3.499 tors. eta vs tors. theta energy: -6.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -70.049346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.049346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.049346 (E_RNA) where: Base-Base interactions energy: -34.892 where: short stacking energy: -23.773 Base-Backbone interact. energy: -0.106 local terms energy: -35.051408 where: bonds (distance) C4'-P energy: -8.148 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.239 flat angles P-C4'-P energy: -6.115 tors. eta vs tors. theta energy: -4.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -55.018411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.018411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.018411 (E_RNA) where: Base-Base interactions energy: -23.116 where: short stacking energy: -20.153 Base-Backbone interact. energy: -0.070 local terms energy: -31.831669 where: bonds (distance) C4'-P energy: -5.129 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -6.404 flat angles P-C4'-P energy: -7.793 tors. eta vs tors. theta energy: -2.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -60.651761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.651761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.651761 (E_RNA) where: Base-Base interactions energy: -25.346 where: short stacking energy: -25.346 Base-Backbone interact. energy: -0.001 local terms energy: -35.304519 where: bonds (distance) C4'-P energy: -7.080 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.686 flat angles P-C4'-P energy: -5.937 tors. eta vs tors. theta energy: -7.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -58.484774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.484774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.484774 (E_RNA) where: Base-Base interactions energy: -26.502 where: short stacking energy: -21.675 Base-Backbone interact. energy: -0.000 local terms energy: -31.983039 where: bonds (distance) C4'-P energy: -7.307 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -7.133 flat angles P-C4'-P energy: -4.155 tors. eta vs tors. theta energy: -5.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -56.687278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.687278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.687278 (E_RNA) where: Base-Base interactions energy: -23.044 where: short stacking energy: -23.044 Base-Backbone interact. energy: -0.100 local terms energy: -33.543396 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.436 flat angles P-C4'-P energy: -3.242 tors. eta vs tors. theta energy: -5.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -43.837885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.837885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.837885 (E_RNA) where: Base-Base interactions energy: -16.200 where: short stacking energy: -16.200 Base-Backbone interact. energy: -0.000 local terms energy: -27.637273 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -6.516 flat angles P-C4'-P energy: -2.345 tors. eta vs tors. theta energy: -2.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -47.570484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.570484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.570484 (E_RNA) where: Base-Base interactions energy: -22.425 where: short stacking energy: -14.101 Base-Backbone interact. energy: -0.041 local terms energy: -25.104886 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -6.625 flat angles P-C4'-P energy: -4.055 tors. eta vs tors. theta energy: 0.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -41.598272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.598272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.598272 (E_RNA) where: Base-Base interactions energy: -14.227 where: short stacking energy: -14.227 Base-Backbone interact. energy: -0.024 local terms energy: -27.347827 where: bonds (distance) C4'-P energy: -6.947 bonds (distance) P-C4' energy: -5.284 flat angles C4'-P-C4' energy: -5.592 flat angles P-C4'-P energy: -4.681 tors. eta vs tors. theta energy: -4.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -38.850759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.850759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.850759 (E_RNA) where: Base-Base interactions energy: -14.081 where: short stacking energy: -7.727 Base-Backbone interact. energy: -0.243 local terms energy: -24.526717 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -7.611 flat angles P-C4'-P energy: -0.522 tors. eta vs tors. theta energy: -4.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -68.152751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.152751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.152751 (E_RNA) where: Base-Base interactions energy: -36.687 where: short stacking energy: -22.031 Base-Backbone interact. energy: -0.642 local terms energy: -30.823714 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.881 flat angles P-C4'-P energy: -3.252 tors. eta vs tors. theta energy: -2.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -67.247682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.247682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.247682 (E_RNA) where: Base-Base interactions energy: -33.195 where: short stacking energy: -21.010 Base-Backbone interact. energy: -0.194 local terms energy: -33.858380 where: bonds (distance) C4'-P energy: -7.552 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -6.997 flat angles P-C4'-P energy: -5.906 tors. eta vs tors. theta energy: -4.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -60.135913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.135913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.135913 (E_RNA) where: Base-Base interactions energy: -31.155 where: short stacking energy: -19.962 Base-Backbone interact. energy: 1.002 local terms energy: -29.983721 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -5.898 flat angles C4'-P-C4' energy: -6.303 flat angles P-C4'-P energy: -5.129 tors. eta vs tors. theta energy: -3.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -60.834087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.834087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.834087 (E_RNA) where: Base-Base interactions energy: -24.805 where: short stacking energy: -15.929 Base-Backbone interact. energy: -0.042 local terms energy: -35.987864 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.348 flat angles P-C4'-P energy: -5.944 tors. eta vs tors. theta energy: -5.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -65.456444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.456444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.456444 (E_RNA) where: Base-Base interactions energy: -29.401 where: short stacking energy: -29.401 Base-Backbone interact. energy: -0.031 local terms energy: -36.023938 where: bonds (distance) C4'-P energy: -5.447 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.849 flat angles P-C4'-P energy: -6.707 tors. eta vs tors. theta energy: -8.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -59.591445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.591445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.591445 (E_RNA) where: Base-Base interactions energy: -25.891 where: short stacking energy: -25.891 Base-Backbone interact. energy: -0.000 local terms energy: -33.700290 where: bonds (distance) C4'-P energy: -6.938 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -6.969 flat angles P-C4'-P energy: -4.553 tors. eta vs tors. theta energy: -6.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -46.875240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.875240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.875240 (E_RNA) where: Base-Base interactions energy: -25.579 where: short stacking energy: -6.026 Base-Backbone interact. energy: -0.402 local terms energy: -20.894189 where: bonds (distance) C4'-P energy: -6.284 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -4.122 flat angles P-C4'-P energy: -2.511 tors. eta vs tors. theta energy: 1.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -59.335517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.335517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.335517 (E_RNA) where: Base-Base interactions energy: -28.922 where: short stacking energy: -10.309 Base-Backbone interact. energy: -0.187 local terms energy: -30.226325 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -9.035 flat angles C4'-P-C4' energy: -5.418 flat angles P-C4'-P energy: -4.474 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: 9, replica: 4 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -49.193534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.193534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.193534 (E_RNA) where: Base-Base interactions energy: -14.424 where: short stacking energy: -14.424 Base-Backbone interact. energy: -0.002 local terms energy: -34.767800 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -6.394 flat angles P-C4'-P energy: -5.372 tors. eta vs tors. theta energy: -6.760 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: 10, replica: 10 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -39.994806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.994806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.994806 (E_RNA) where: Base-Base interactions energy: -13.341 where: short stacking energy: -13.341 Base-Backbone interact. energy: -0.002 local terms energy: -26.651595 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -7.618 flat angles C4'-P-C4' energy: -7.826 flat angles P-C4'-P energy: -6.516 tors. eta vs tors. theta energy: 0.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -55.450970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.450970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.450970 (E_RNA) where: Base-Base interactions energy: -24.051 where: short stacking energy: -24.051 Base-Backbone interact. energy: -0.006 local terms energy: -31.393809 where: bonds (distance) C4'-P energy: -5.104 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -7.095 flat angles P-C4'-P energy: -4.177 tors. eta vs tors. theta energy: -5.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -72.907976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.907976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.907976 (E_RNA) where: Base-Base interactions energy: -32.973 where: short stacking energy: -32.973 Base-Backbone interact. energy: -0.000 local terms energy: -39.934861 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.357 flat angles P-C4'-P energy: -4.346 tors. eta vs tors. theta energy: -10.085 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: 3, replica: 1 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -50.027121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.027121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.027121 (E_RNA) where: Base-Base interactions energy: -21.994 where: short stacking energy: -21.994 Base-Backbone interact. energy: -0.005 local terms energy: -28.027969 where: bonds (distance) C4'-P energy: -6.648 bonds (distance) P-C4' energy: -6.628 flat angles C4'-P-C4' energy: -7.916 flat angles P-C4'-P energy: -5.121 tors. eta vs tors. theta energy: -1.715 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: 3 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -60.609076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.609076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.609076 (E_RNA) where: Base-Base interactions energy: -25.980 where: short stacking energy: -25.980 Base-Backbone interact. energy: -0.018 local terms energy: -34.611521 where: bonds (distance) C4'-P energy: -5.531 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -8.017 flat angles P-C4'-P energy: -7.574 tors. eta vs tors. theta energy: -4.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -54.105814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.105814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.105814 (E_RNA) where: Base-Base interactions energy: -23.537 where: short stacking energy: -23.537 Base-Backbone interact. energy: -0.019 local terms energy: -30.549567 where: bonds (distance) C4'-P energy: -7.013 bonds (distance) P-C4' energy: -7.309 flat angles C4'-P-C4' energy: -8.047 flat angles P-C4'-P energy: -1.406 tors. eta vs tors. theta energy: -6.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -54.027043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.027043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.027043 (E_RNA) where: Base-Base interactions energy: -22.751 where: short stacking energy: -22.751 Base-Backbone interact. energy: -0.026 local terms energy: -31.249700 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.045 flat angles P-C4'-P energy: -4.031 tors. eta vs tors. theta energy: -3.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -43.514070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.514070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.514070 (E_RNA) where: Base-Base interactions energy: -17.980 where: short stacking energy: -13.057 Base-Backbone interact. energy: -0.434 local terms energy: -25.100335 where: bonds (distance) C4'-P energy: -7.265 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.256 flat angles P-C4'-P energy: -5.620 tors. eta vs tors. theta energy: 1.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -42.454417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.454417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.454417 (E_RNA) where: Base-Base interactions energy: -14.712 where: short stacking energy: -14.712 Base-Backbone interact. energy: -0.000 local terms energy: -27.741978 where: bonds (distance) C4'-P energy: -5.439 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -5.146 flat angles P-C4'-P energy: -5.456 tors. eta vs tors. theta energy: -2.127 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: 386 Temperature: 1.300000 Total energy: -44.701262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.701262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.701262 (E_RNA) where: Base-Base interactions energy: -20.039 where: short stacking energy: -20.039 Base-Backbone interact. energy: -0.080 local terms energy: -24.582588 where: bonds (distance) C4'-P energy: -4.255 bonds (distance) P-C4' energy: -5.672 flat angles C4'-P-C4' energy: -5.975 flat angles P-C4'-P energy: -4.179 tors. eta vs tors. theta energy: -4.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -43.340859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.340859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.340859 (E_RNA) where: Base-Base interactions energy: -14.404 where: short stacking energy: -14.404 Base-Backbone interact. energy: -0.131 local terms energy: -28.805983 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -7.499 flat angles C4'-P-C4' energy: -6.921 flat angles P-C4'-P energy: -5.155 tors. eta vs tors. theta energy: -0.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -69.754759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.754759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.754759 (E_RNA) where: Base-Base interactions energy: -31.652 where: short stacking energy: -30.854 Base-Backbone interact. energy: -0.015 local terms energy: -38.087872 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -7.739 flat angles C4'-P-C4' energy: -8.987 flat angles P-C4'-P energy: -6.596 tors. eta vs tors. theta energy: -7.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -62.426583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.426583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.426583 (E_RNA) where: Base-Base interactions energy: -30.503 where: short stacking energy: -11.278 Base-Backbone interact. energy: -0.066 local terms energy: -31.857085 where: bonds (distance) C4'-P energy: -8.002 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -7.807 flat angles P-C4'-P energy: -4.702 tors. eta vs tors. theta energy: -2.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -50.609441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.609441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.609441 (E_RNA) where: Base-Base interactions energy: -15.659 where: short stacking energy: -15.659 Base-Backbone interact. energy: -0.007 local terms energy: -34.944364 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -8.447 flat angles P-C4'-P energy: -7.252 tors. eta vs tors. theta energy: -2.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -61.556381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.556381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.556381 (E_RNA) where: Base-Base interactions energy: -28.270 where: short stacking energy: -24.585 Base-Backbone interact. energy: 2.080 local terms energy: -35.366922 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.335 flat angles P-C4'-P energy: -5.561 tors. eta vs tors. theta energy: -5.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -55.673674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.673674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.673674 (E_RNA) where: Base-Base interactions energy: -24.985 where: short stacking energy: -24.698 Base-Backbone interact. energy: -0.014 local terms energy: -30.674742 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -6.334 flat angles P-C4'-P energy: -2.851 tors. eta vs tors. theta energy: -5.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -54.548731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.548731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.548731 (E_RNA) where: Base-Base interactions energy: -20.356 where: short stacking energy: -20.356 Base-Backbone interact. energy: -0.094 local terms energy: -34.098545 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -5.452 flat angles C4'-P-C4' energy: -8.251 flat angles P-C4'-P energy: -4.980 tors. eta vs tors. theta energy: -8.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -47.144246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.144246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.144246 (E_RNA) where: Base-Base interactions energy: -25.612 where: short stacking energy: -15.621 Base-Backbone interact. energy: -0.079 local terms energy: -21.453648 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -3.927 flat angles C4'-P-C4' energy: -7.430 flat angles P-C4'-P energy: -1.931 tors. eta vs tors. theta energy: -0.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -48.640190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.640190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.640190 (E_RNA) where: Base-Base interactions energy: -23.092 where: short stacking energy: -18.641 Base-Backbone interact. energy: -0.001 local terms energy: -25.547050 where: bonds (distance) C4'-P energy: -4.525 bonds (distance) P-C4' energy: -5.131 flat angles C4'-P-C4' energy: -5.639 flat angles P-C4'-P energy: -4.336 tors. eta vs tors. theta energy: -5.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -45.723070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.723070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.723070 (E_RNA) where: Base-Base interactions energy: -15.898 where: short stacking energy: -15.898 Base-Backbone interact. energy: -0.001 local terms energy: -29.824262 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -5.575 flat angles P-C4'-P energy: -4.182 tors. eta vs tors. theta energy: -3.918 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: 4 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -45.473576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.473576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.473576 (E_RNA) where: Base-Base interactions energy: -17.003 where: short stacking energy: -17.003 Base-Backbone interact. energy: -0.013 local terms energy: -28.456688 where: bonds (distance) C4'-P energy: -6.975 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -7.759 flat angles P-C4'-P energy: -4.180 tors. eta vs tors. theta energy: -1.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -66.326856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.326856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.326856 (E_RNA) where: Base-Base interactions energy: -27.547 where: short stacking energy: -27.547 Base-Backbone interact. energy: -0.005 local terms energy: -38.774893 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -7.992 flat angles C4'-P-C4' energy: -8.251 flat angles P-C4'-P energy: -6.645 tors. eta vs tors. theta energy: -6.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -57.309977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.309977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.309977 (E_RNA) where: Base-Base interactions energy: -24.488 where: short stacking energy: -24.488 Base-Backbone interact. energy: -0.000 local terms energy: -32.822081 where: bonds (distance) C4'-P energy: -7.121 bonds (distance) P-C4' energy: -6.846 flat angles C4'-P-C4' energy: -5.560 flat angles P-C4'-P energy: -7.199 tors. eta vs tors. theta energy: -6.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -54.147610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.147610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.147610 (E_RNA) where: Base-Base interactions energy: -24.255 where: short stacking energy: -22.074 Base-Backbone interact. energy: 0.059 local terms energy: -29.951912 where: bonds (distance) C4'-P energy: -8.006 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -6.306 flat angles P-C4'-P energy: -5.288 tors. eta vs tors. theta energy: -2.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -50.633571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.633571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.633571 (E_RNA) where: Base-Base interactions energy: -15.226 where: short stacking energy: -14.818 Base-Backbone interact. energy: -0.122 local terms energy: -35.285378 where: bonds (distance) C4'-P energy: -7.852 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -6.647 flat angles P-C4'-P energy: -5.970 tors. eta vs tors. theta energy: -5.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -50.831972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.831972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.831972 (E_RNA) where: Base-Base interactions energy: -22.715 where: short stacking energy: -22.715 Base-Backbone interact. energy: -0.001 local terms energy: -28.116705 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -7.203 flat angles C4'-P-C4' energy: -5.629 flat angles P-C4'-P energy: -2.995 tors. eta vs tors. theta energy: -5.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -47.889089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.889089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.889089 (E_RNA) where: Base-Base interactions energy: -17.128 where: short stacking energy: -15.383 Base-Backbone interact. energy: -0.004 local terms energy: -30.757704 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -5.161 flat angles P-C4'-P energy: -4.496 tors. eta vs tors. theta energy: -7.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -52.597954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.597954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.597954 (E_RNA) where: Base-Base interactions energy: -25.948 where: short stacking energy: -18.405 Base-Backbone interact. energy: -0.010 local terms energy: -26.639856 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -7.714 flat angles P-C4'-P energy: -3.968 tors. eta vs tors. theta energy: -3.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -49.653156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.653156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.653156 (E_RNA) where: Base-Base interactions energy: -22.984 where: short stacking energy: -22.984 Base-Backbone interact. energy: -0.003 local terms energy: -26.665748 where: bonds (distance) C4'-P energy: -4.488 bonds (distance) P-C4' energy: -7.470 flat angles C4'-P-C4' energy: -6.816 flat angles P-C4'-P energy: -3.096 tors. eta vs tors. theta energy: -4.795 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: 4 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -39.983195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.983195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.983195 (E_RNA) where: Base-Base interactions energy: -12.496 where: short stacking energy: -12.496 Base-Backbone interact. energy: 0.076 local terms energy: -27.563230 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -6.677 flat angles P-C4'-P energy: -2.316 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: 6 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -46.128845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.128845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.128845 (E_RNA) where: Base-Base interactions energy: -12.891 where: short stacking energy: -12.891 Base-Backbone interact. energy: -0.000 local terms energy: -33.237978 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -6.887 flat angles P-C4'-P energy: -6.981 tors. eta vs tors. theta energy: -2.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -70.607328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.607328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.607328 (E_RNA) where: Base-Base interactions energy: -34.228 where: short stacking energy: -33.564 Base-Backbone interact. energy: -0.002 local terms energy: -36.377198 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.678 flat angles P-C4'-P energy: -4.101 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: 2, replica: 1 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -64.400388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.400388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.400388 (E_RNA) where: Base-Base interactions energy: -25.363 where: short stacking energy: -25.363 Base-Backbone interact. energy: -0.001 local terms energy: -39.036591 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -8.048 flat angles C4'-P-C4' energy: -7.676 flat angles P-C4'-P energy: -7.868 tors. eta vs tors. theta energy: -6.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -65.229972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.229972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.229972 (E_RNA) where: Base-Base interactions energy: -36.316 where: short stacking energy: -15.057 Base-Backbone interact. energy: -0.109 local terms energy: -28.804177 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -3.712 flat angles P-C4'-P energy: -5.871 tors. eta vs tors. theta energy: -3.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -54.440319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.440319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.440319 (E_RNA) where: Base-Base interactions energy: -22.184 where: short stacking energy: -17.623 Base-Backbone interact. energy: -0.379 local terms energy: -31.877855 where: bonds (distance) C4'-P energy: -7.899 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -4.714 flat angles P-C4'-P energy: -4.502 tors. eta vs tors. theta energy: -5.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -49.437687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.437687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.437687 (E_RNA) where: Base-Base interactions energy: -19.979 where: short stacking energy: -18.310 Base-Backbone interact. energy: -0.270 local terms energy: -29.188143 where: bonds (distance) C4'-P energy: -6.685 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.049 flat angles P-C4'-P energy: -3.440 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: 6, replica: 10 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -53.871587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.871587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.871587 (E_RNA) where: Base-Base interactions energy: -21.222 where: short stacking energy: -21.222 Base-Backbone interact. energy: -0.086 local terms energy: -32.563691 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -7.048 flat angles C4'-P-C4' energy: -8.380 flat angles P-C4'-P energy: -5.202 tors. eta vs tors. theta energy: -5.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -45.265431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.265431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.265431 (E_RNA) where: Base-Base interactions energy: -23.372 where: short stacking energy: -13.673 Base-Backbone interact. energy: -0.041 local terms energy: -21.852471 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -2.016 flat angles P-C4'-P energy: -3.979 tors. eta vs tors. theta energy: 0.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -47.674635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.674635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.674635 (E_RNA) where: Base-Base interactions energy: -17.531 where: short stacking energy: -17.531 Base-Backbone interact. energy: -0.091 local terms energy: -30.052046 where: bonds (distance) C4'-P energy: -6.984 bonds (distance) P-C4' energy: -5.624 flat angles C4'-P-C4' energy: -7.740 flat angles P-C4'-P energy: -6.308 tors. eta vs tors. theta energy: -3.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -40.586582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.586582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.586582 (E_RNA) where: Base-Base interactions energy: -17.056 where: short stacking energy: -7.910 Base-Backbone interact. energy: -0.062 local terms energy: -23.469280 where: bonds (distance) C4'-P energy: -4.625 bonds (distance) P-C4' energy: -7.554 flat angles C4'-P-C4' energy: -3.788 flat angles P-C4'-P energy: -4.328 tors. eta vs tors. theta energy: -3.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -37.359970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.359970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.359970 (E_RNA) where: Base-Base interactions energy: -12.507 where: short stacking energy: -8.629 Base-Backbone interact. energy: -0.187 local terms energy: -24.665469 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -5.130 flat angles P-C4'-P energy: -1.642 tors. eta vs tors. theta energy: -1.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -65.273058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.273058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.273058 (E_RNA) where: Base-Base interactions energy: -26.356 where: short stacking energy: -26.356 Base-Backbone interact. energy: -0.000 local terms energy: -38.917190 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -6.982 flat angles P-C4'-P energy: -6.652 tors. eta vs tors. theta energy: -8.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -62.608389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.608389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.608389 (E_RNA) where: Base-Base interactions energy: -27.061 where: short stacking energy: -26.447 Base-Backbone interact. energy: -0.047 local terms energy: -35.500783 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -7.562 flat angles P-C4'-P energy: -4.972 tors. eta vs tors. theta energy: -7.382 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: 9 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -63.853151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.853151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.853151 (E_RNA) where: Base-Base interactions energy: -29.384 where: short stacking energy: -29.249 Base-Backbone interact. energy: -0.008 local terms energy: -34.460804 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -7.373 flat angles C4'-P-C4' energy: -8.180 flat angles P-C4'-P energy: -3.536 tors. eta vs tors. theta energy: -7.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -63.148426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.148426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.148426 (E_RNA) where: Base-Base interactions energy: -30.209 where: short stacking energy: -21.855 Base-Backbone interact. energy: -0.013 local terms energy: -32.926321 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -5.846 flat angles C4'-P-C4' energy: -8.413 flat angles P-C4'-P energy: -5.273 tors. eta vs tors. theta energy: -6.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -54.422003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.422003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.422003 (E_RNA) where: Base-Base interactions energy: -25.712 where: short stacking energy: -25.712 Base-Backbone interact. energy: -0.000 local terms energy: -28.709914 where: bonds (distance) C4'-P energy: -3.291 bonds (distance) P-C4' energy: -7.066 flat angles C4'-P-C4' energy: -7.492 flat angles P-C4'-P energy: -4.082 tors. eta vs tors. theta energy: -6.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -50.180392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.180392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.180392 (E_RNA) where: Base-Base interactions energy: -18.648 where: short stacking energy: -15.180 Base-Backbone interact. energy: -0.092 local terms energy: -31.440180 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -6.613 flat angles C4'-P-C4' energy: -8.851 flat angles P-C4'-P energy: -5.498 tors. eta vs tors. theta energy: -3.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -53.285061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.285061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.285061 (E_RNA) where: Base-Base interactions energy: -22.941 where: short stacking energy: -23.141 Base-Backbone interact. energy: -0.083 local terms energy: -30.261145 where: bonds (distance) C4'-P energy: -6.284 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -7.049 flat angles P-C4'-P energy: -3.137 tors. eta vs tors. theta energy: -6.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -47.025507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.025507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.025507 (E_RNA) where: Base-Base interactions energy: -20.950 where: short stacking energy: -20.550 Base-Backbone interact. energy: -0.012 local terms energy: -26.064066 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -1.709 flat angles P-C4'-P energy: -7.018 tors. eta vs tors. theta energy: -3.858 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: 6 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -41.095552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.095552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.095552 (E_RNA) where: Base-Base interactions energy: -12.704 where: short stacking energy: -12.704 Base-Backbone interact. energy: -0.117 local terms energy: -28.274468 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -6.834 flat angles P-C4'-P energy: -4.623 tors. eta vs tors. theta energy: -2.854 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: 10, replica: 2 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -44.662852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.662852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.662852 (E_RNA) where: Base-Base interactions energy: -14.752 where: short stacking energy: -14.752 Base-Backbone interact. energy: -0.003 local terms energy: -29.907217 where: bonds (distance) C4'-P energy: -5.183 bonds (distance) P-C4' energy: -7.583 flat angles C4'-P-C4' energy: -7.512 flat angles P-C4'-P energy: -6.399 tors. eta vs tors. theta energy: -3.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -67.006547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.006547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.006547 (E_RNA) where: Base-Base interactions energy: -29.169 where: short stacking energy: -29.169 Base-Backbone interact. energy: -0.014 local terms energy: -37.823036 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -7.474 flat angles C4'-P-C4' energy: -8.070 flat angles P-C4'-P energy: -6.140 tors. eta vs tors. theta energy: -8.196 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: 9 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -73.803466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.803466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.803466 (E_RNA) where: Base-Base interactions energy: -30.053 where: short stacking energy: -30.053 Base-Backbone interact. energy: -0.000 local terms energy: -43.750258 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -8.988 flat angles P-C4'-P energy: -7.486 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: 3, replica: 7 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -66.436224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.436224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.436224 (E_RNA) where: Base-Base interactions energy: -30.264 where: short stacking energy: -23.350 Base-Backbone interact. energy: -0.008 local terms energy: -36.164454 where: bonds (distance) C4'-P energy: -7.179 bonds (distance) P-C4' energy: -8.199 flat angles C4'-P-C4' energy: -7.689 flat angles P-C4'-P energy: -6.552 tors. eta vs tors. theta energy: -6.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -55.544590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.544590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.544590 (E_RNA) where: Base-Base interactions energy: -29.213 where: short stacking energy: -25.447 Base-Backbone interact. energy: -0.000 local terms energy: -26.331408 where: bonds (distance) C4'-P energy: -4.827 bonds (distance) P-C4' energy: -5.815 flat angles C4'-P-C4' energy: -7.965 flat angles P-C4'-P energy: 0.489 tors. eta vs tors. theta energy: -8.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -65.735944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.735944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.735944 (E_RNA) where: Base-Base interactions energy: -24.341 where: short stacking energy: -24.341 Base-Backbone interact. energy: -0.000 local terms energy: -41.395069 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.592 flat angles P-C4'-P energy: -6.273 tors. eta vs tors. theta energy: -9.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -50.774717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.774717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.774717 (E_RNA) where: Base-Base interactions energy: -20.642 where: short stacking energy: -20.642 Base-Backbone interact. energy: -0.000 local terms energy: -30.132725 where: bonds (distance) C4'-P energy: -6.300 bonds (distance) P-C4' energy: -7.210 flat angles C4'-P-C4' energy: -7.344 flat angles P-C4'-P energy: -3.414 tors. eta vs tors. theta energy: -5.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -55.470311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.470311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.470311 (E_RNA) where: Base-Base interactions energy: -22.199 where: short stacking energy: -22.199 Base-Backbone interact. energy: -0.000 local terms energy: -33.271205 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.402 flat angles P-C4'-P energy: -3.652 tors. eta vs tors. theta energy: -7.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -65.097274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.097274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.097274 (E_RNA) where: Base-Base interactions energy: -37.229 where: short stacking energy: -9.977 Base-Backbone interact. energy: -0.061 local terms energy: -27.807144 where: bonds (distance) C4'-P energy: -6.843 bonds (distance) P-C4' energy: -7.508 flat angles C4'-P-C4' energy: -8.111 flat angles P-C4'-P energy: -3.822 tors. eta vs tors. theta energy: -1.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -46.017701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.017701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.017701 (E_RNA) where: Base-Base interactions energy: -12.948 where: short stacking energy: -12.948 Base-Backbone interact. energy: -0.043 local terms energy: -33.026681 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -5.821 flat angles C4'-P-C4' energy: -6.897 flat angles P-C4'-P energy: -6.357 tors. eta vs tors. theta energy: -6.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -44.522617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.522617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.522617 (E_RNA) where: Base-Base interactions energy: -16.121 where: short stacking energy: -14.060 Base-Backbone interact. energy: 0.080 local terms energy: -28.480975 where: bonds (distance) C4'-P energy: -5.229 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.212 flat angles P-C4'-P energy: -4.312 tors. eta vs tors. theta energy: -2.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -60.565684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.565684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.565684 (E_RNA) where: Base-Base interactions energy: -26.425 where: short stacking energy: -25.163 Base-Backbone interact. energy: -0.001 local terms energy: -34.139660 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -7.917 flat angles C4'-P-C4' energy: -5.449 flat angles P-C4'-P energy: -6.100 tors. eta vs tors. theta energy: -5.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -65.987025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.987025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.987025 (E_RNA) where: Base-Base interactions energy: -28.261 where: short stacking energy: -28.261 Base-Backbone interact. energy: -0.000 local terms energy: -37.725833 where: bonds (distance) C4'-P energy: -7.323 bonds (distance) P-C4' energy: -7.414 flat angles C4'-P-C4' energy: -8.267 flat angles P-C4'-P energy: -6.865 tors. eta vs tors. theta energy: -7.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -61.475935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.475935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.475935 (E_RNA) where: Base-Base interactions energy: -29.914 where: short stacking energy: -29.914 Base-Backbone interact. energy: -0.000 local terms energy: -31.561506 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -4.177 flat angles P-C4'-P energy: -5.901 tors. eta vs tors. theta energy: -8.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -52.295677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.295677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.295677 (E_RNA) where: Base-Base interactions energy: -20.772 where: short stacking energy: -18.139 Base-Backbone interact. energy: -0.051 local terms energy: -31.472064 where: bonds (distance) C4'-P energy: -6.495 bonds (distance) P-C4' energy: -7.584 flat angles C4'-P-C4' energy: -7.871 flat angles P-C4'-P energy: -3.696 tors. eta vs tors. theta energy: -5.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -47.468878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.468878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.468878 (E_RNA) where: Base-Base interactions energy: -16.017 where: short stacking energy: -15.892 Base-Backbone interact. energy: -0.073 local terms energy: -31.378509 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.910 flat angles P-C4'-P energy: -6.827 tors. eta vs tors. theta energy: -0.800 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: 392 Temperature: 1.150000 Total energy: -56.055841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.055841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.055841 (E_RNA) where: Base-Base interactions energy: -23.154 where: short stacking energy: -23.154 Base-Backbone interact. energy: -0.018 local terms energy: -32.884172 where: bonds (distance) C4'-P energy: -7.328 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -7.918 flat angles P-C4'-P energy: -3.246 tors. eta vs tors. theta energy: -6.647 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: 6 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -49.013914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.013914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.013914 (E_RNA) where: Base-Base interactions energy: -18.529 where: short stacking energy: -18.529 Base-Backbone interact. energy: -0.000 local terms energy: -30.484283 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -7.481 flat angles C4'-P-C4' energy: -4.761 flat angles P-C4'-P energy: -5.870 tors. eta vs tors. theta energy: -3.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -42.613893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.613893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.613893 (E_RNA) where: Base-Base interactions energy: -14.298 where: short stacking energy: -14.298 Base-Backbone interact. energy: -0.087 local terms energy: -28.228198 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -4.634 flat angles C4'-P-C4' energy: -7.758 flat angles P-C4'-P energy: -5.265 tors. eta vs tors. theta energy: -4.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -42.172100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.172100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.172100 (E_RNA) where: Base-Base interactions energy: -16.091 where: short stacking energy: -14.519 Base-Backbone interact. energy: -0.038 local terms energy: -26.042503 where: bonds (distance) C4'-P energy: -3.858 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -6.368 flat angles P-C4'-P energy: -4.308 tors. eta vs tors. theta energy: -1.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -43.453856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.453856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.453856 (E_RNA) where: Base-Base interactions energy: -17.909 where: short stacking energy: -16.689 Base-Backbone interact. energy: -0.135 local terms energy: -25.410254 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -7.091 flat angles C4'-P-C4' energy: -3.208 flat angles P-C4'-P energy: -5.932 tors. eta vs tors. theta energy: -3.600 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: 1 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -62.831643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.831643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.831643 (E_RNA) where: Base-Base interactions energy: -25.837 where: short stacking energy: -25.837 Base-Backbone interact. energy: -0.044 local terms energy: -36.950744 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -8.414 flat angles P-C4'-P energy: -4.886 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: 2, replica: 5 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -68.621182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.621182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.621182 (E_RNA) where: Base-Base interactions energy: -30.583 where: short stacking energy: -30.583 Base-Backbone interact. energy: -0.000 local terms energy: -38.038517 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -6.867 flat angles C4'-P-C4' energy: -8.529 flat angles P-C4'-P energy: -5.733 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: 3, replica: 9 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -70.676850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.676850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.676850 (E_RNA) where: Base-Base interactions energy: -38.138 where: short stacking energy: -32.343 Base-Backbone interact. energy: -0.009 local terms energy: -32.530050 where: bonds (distance) C4'-P energy: -4.288 bonds (distance) P-C4' energy: -7.925 flat angles C4'-P-C4' energy: -7.583 flat angles P-C4'-P energy: -2.649 tors. eta vs tors. theta energy: -10.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -49.831555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.831555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.831555 (E_RNA) where: Base-Base interactions energy: -17.020 where: short stacking energy: -17.020 Base-Backbone interact. energy: -0.000 local terms energy: -32.811192 where: bonds (distance) C4'-P energy: -5.295 bonds (distance) P-C4' energy: -6.244 flat angles C4'-P-C4' energy: -8.076 flat angles P-C4'-P energy: -6.453 tors. eta vs tors. theta energy: -6.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -52.360883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.360883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.360883 (E_RNA) where: Base-Base interactions energy: -20.530 where: short stacking energy: -20.530 Base-Backbone interact. energy: -0.003 local terms energy: -31.827540 where: bonds (distance) C4'-P energy: -7.340 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -6.720 flat angles P-C4'-P energy: -3.535 tors. eta vs tors. theta energy: -4.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -61.692097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.692097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.692097 (E_RNA) where: Base-Base interactions energy: -30.305 where: short stacking energy: -30.305 Base-Backbone interact. energy: -0.000 local terms energy: -31.387156 where: bonds (distance) C4'-P energy: -5.748 bonds (distance) P-C4' energy: -8.650 flat angles C4'-P-C4' energy: -7.074 flat angles P-C4'-P energy: -5.147 tors. eta vs tors. theta energy: -4.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -52.946483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.946483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.946483 (E_RNA) where: Base-Base interactions energy: -21.104 where: short stacking energy: -21.104 Base-Backbone interact. energy: -0.000 local terms energy: -31.842199 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -7.095 flat angles P-C4'-P energy: -5.264 tors. eta vs tors. theta energy: -4.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -45.778699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.778699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.778699 (E_RNA) where: Base-Base interactions energy: -19.099 where: short stacking energy: -19.099 Base-Backbone interact. energy: 0.526 local terms energy: -27.205761 where: bonds (distance) C4'-P energy: -5.005 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -7.042 flat angles P-C4'-P energy: -4.694 tors. eta vs tors. theta energy: -1.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -42.449312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.449312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.449312 (E_RNA) where: Base-Base interactions energy: -14.067 where: short stacking energy: -13.604 Base-Backbone interact. energy: -0.067 local terms energy: -28.314814 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -5.365 flat angles P-C4'-P energy: -5.679 tors. eta vs tors. theta energy: -2.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -43.895722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.895722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.895722 (E_RNA) where: Base-Base interactions energy: -17.586 where: short stacking energy: -16.258 Base-Backbone interact. energy: 1.410 local terms energy: -27.719614 where: bonds (distance) C4'-P energy: -4.647 bonds (distance) P-C4' energy: -8.287 flat angles C4'-P-C4' energy: -7.751 flat angles P-C4'-P energy: -6.800 tors. eta vs tors. theta energy: -0.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -67.829392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.829392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.829392 (E_RNA) where: Base-Base interactions energy: -30.775 where: short stacking energy: -30.691 Base-Backbone interact. energy: -0.000 local terms energy: -37.054312 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -7.992 flat angles C4'-P-C4' energy: -8.338 flat angles P-C4'-P energy: -4.095 tors. eta vs tors. theta energy: -9.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -58.181498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.181498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.181498 (E_RNA) where: Base-Base interactions energy: -25.278 where: short stacking energy: -25.278 Base-Backbone interact. energy: -0.002 local terms energy: -32.901669 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -3.567 flat angles P-C4'-P energy: -6.574 tors. eta vs tors. theta energy: -7.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -63.101943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.101943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.101943 (E_RNA) where: Base-Base interactions energy: -25.891 where: short stacking energy: -23.723 Base-Backbone interact. energy: -0.000 local terms energy: -37.210452 where: bonds (distance) C4'-P energy: -7.423 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -8.688 flat angles P-C4'-P energy: -2.509 tors. eta vs tors. theta energy: -9.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -64.322882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.322882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.322882 (E_RNA) where: Base-Base interactions energy: -35.861 where: short stacking energy: -25.706 Base-Backbone interact. energy: -0.009 local terms energy: -28.452955 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -7.269 flat angles P-C4'-P energy: -0.612 tors. eta vs tors. theta energy: -6.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -51.563082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.563082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.563082 (E_RNA) where: Base-Base interactions energy: -21.053 where: short stacking energy: -16.092 Base-Backbone interact. energy: -0.179 local terms energy: -30.330531 where: bonds (distance) C4'-P energy: -7.547 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.013 flat angles P-C4'-P energy: -5.037 tors. eta vs tors. theta energy: -1.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -48.044131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.044131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.044131 (E_RNA) where: Base-Base interactions energy: -18.829 where: short stacking energy: -18.829 Base-Backbone interact. energy: -0.014 local terms energy: -29.201217 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -5.628 flat angles C4'-P-C4' energy: -8.685 flat angles P-C4'-P energy: -2.416 tors. eta vs tors. theta energy: -5.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -43.728698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.728698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.728698 (E_RNA) where: Base-Base interactions energy: -16.863 where: short stacking energy: -16.863 Base-Backbone interact. energy: -0.011 local terms energy: -26.854918 where: bonds (distance) C4'-P energy: -6.693 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -3.710 flat angles P-C4'-P energy: -5.579 tors. eta vs tors. theta energy: -2.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -48.934727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.934727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.934727 (E_RNA) where: Base-Base interactions energy: -17.740 where: short stacking energy: -16.179 Base-Backbone interact. energy: -0.084 local terms energy: -31.110957 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -8.105 flat angles P-C4'-P energy: -4.355 tors. eta vs tors. theta energy: -1.574 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: 9, replica: 3 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -46.231527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.231527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.231527 (E_RNA) where: Base-Base interactions energy: -16.899 where: short stacking energy: -16.899 Base-Backbone interact. energy: -0.052 local terms energy: -29.279998 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -4.830 flat angles P-C4'-P energy: -6.653 tors. eta vs tors. theta energy: -2.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -43.232734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.232734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.232734 (E_RNA) where: Base-Base interactions energy: -16.188 where: short stacking energy: -14.371 Base-Backbone interact. energy: -0.201 local terms energy: -26.844421 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -4.057 flat angles C4'-P-C4' energy: -8.702 flat angles P-C4'-P energy: -4.073 tors. eta vs tors. theta energy: -4.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -57.349060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.349060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.349060 (E_RNA) where: Base-Base interactions energy: -28.031 where: short stacking energy: -28.031 Base-Backbone interact. energy: -0.101 local terms energy: -29.217305 where: bonds (distance) C4'-P energy: -1.661 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -7.742 flat angles P-C4'-P energy: -4.594 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: 2, replica: 4 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -74.227608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.227608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.227608 (E_RNA) where: Base-Base interactions energy: -38.760 where: short stacking energy: -34.995 Base-Backbone interact. energy: -0.000 local terms energy: -35.467656 where: bonds (distance) C4'-P energy: -5.663 bonds (distance) P-C4' energy: -9.056 flat angles C4'-P-C4' energy: -8.248 flat angles P-C4'-P energy: -3.732 tors. eta vs tors. theta energy: -8.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -56.013527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.013527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.013527 (E_RNA) where: Base-Base interactions energy: -18.800 where: short stacking energy: -18.800 Base-Backbone interact. energy: -0.000 local terms energy: -37.213395 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -8.791 flat angles P-C4'-P energy: -5.337 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: 4, replica: 9 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -60.101854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.101854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.101854 (E_RNA) where: Base-Base interactions energy: -28.331 where: short stacking energy: -27.600 Base-Backbone interact. energy: -0.024 local terms energy: -31.747104 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -7.441 flat angles P-C4'-P energy: -3.840 tors. eta vs tors. theta energy: -5.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -52.343215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.343215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.343215 (E_RNA) where: Base-Base interactions energy: -19.597 where: short stacking energy: -16.043 Base-Backbone interact. energy: -0.089 local terms energy: -32.656487 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -6.058 flat angles P-C4'-P energy: -6.376 tors. eta vs tors. theta energy: -5.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -56.704210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.704210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.704210 (E_RNA) where: Base-Base interactions energy: -28.496 where: short stacking energy: -27.663 Base-Backbone interact. energy: -0.081 local terms energy: -28.127967 where: bonds (distance) C4'-P energy: -8.002 bonds (distance) P-C4' energy: -4.333 flat angles C4'-P-C4' energy: -5.856 flat angles P-C4'-P energy: -4.195 tors. eta vs tors. theta energy: -5.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -50.897988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.897988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.897988 (E_RNA) where: Base-Base interactions energy: -26.311 where: short stacking energy: -15.849 Base-Backbone interact. energy: -0.102 local terms energy: -24.485537 where: bonds (distance) C4'-P energy: -6.904 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -8.092 flat angles P-C4'-P energy: -0.331 tors. eta vs tors. theta energy: -2.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -51.619509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.619509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.619509 (E_RNA) where: Base-Base interactions energy: -17.110 where: short stacking energy: -17.110 Base-Backbone interact. energy: -0.045 local terms energy: -34.463943 where: bonds (distance) C4'-P energy: -6.478 bonds (distance) P-C4' energy: -9.546 flat angles C4'-P-C4' energy: -8.086 flat angles P-C4'-P energy: -5.612 tors. eta vs tors. theta energy: -4.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -43.186989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.186989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.186989 (E_RNA) where: Base-Base interactions energy: -16.504 where: short stacking energy: -16.504 Base-Backbone interact. energy: -0.027 local terms energy: -26.655920 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -6.074 flat angles P-C4'-P energy: -3.679 tors. eta vs tors. theta energy: -2.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -41.496718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.496718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.496718 (E_RNA) where: Base-Base interactions energy: -13.257 where: short stacking energy: -13.257 Base-Backbone interact. energy: -0.010 local terms energy: -28.229200 where: bonds (distance) C4'-P energy: -8.118 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -5.353 flat angles P-C4'-P energy: -6.921 tors. eta vs tors. theta energy: -0.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -75.504428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.504428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.504428 (E_RNA) where: Base-Base interactions energy: -43.128 where: short stacking energy: -28.128 Base-Backbone interact. energy: -0.051 local terms energy: -32.324666 where: bonds (distance) C4'-P energy: -7.461 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -7.308 flat angles P-C4'-P energy: -4.350 tors. eta vs tors. theta energy: -5.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -59.051837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.051837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.051837 (E_RNA) where: Base-Base interactions energy: -25.995 where: short stacking energy: -23.138 Base-Backbone interact. energy: -0.047 local terms energy: -33.009990 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -8.837 flat angles P-C4'-P energy: -4.976 tors. eta vs tors. theta energy: -2.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -64.748322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.748322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.748322 (E_RNA) where: Base-Base interactions energy: -36.170 where: short stacking energy: -23.035 Base-Backbone interact. energy: -0.394 local terms energy: -28.185090 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -5.020 flat angles C4'-P-C4' energy: -7.157 flat angles P-C4'-P energy: -4.580 tors. eta vs tors. theta energy: -3.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -58.633718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.633718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.633718 (E_RNA) where: Base-Base interactions energy: -22.638 where: short stacking energy: -22.638 Base-Backbone interact. energy: -0.015 local terms energy: -35.980551 where: bonds (distance) C4'-P energy: -8.867 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.240 flat angles P-C4'-P energy: -6.709 tors. eta vs tors. theta energy: -3.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -60.643453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.643453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.643453 (E_RNA) where: Base-Base interactions energy: -24.593 where: short stacking energy: -24.562 Base-Backbone interact. energy: -0.000 local terms energy: -36.049762 where: bonds (distance) C4'-P energy: -6.685 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -8.678 flat angles P-C4'-P energy: -3.505 tors. eta vs tors. theta energy: -8.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -52.845645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.845645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.845645 (E_RNA) where: Base-Base interactions energy: -20.831 where: short stacking energy: -17.561 Base-Backbone interact. energy: -0.346 local terms energy: -31.669078 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.767 flat angles P-C4'-P energy: -4.911 tors. eta vs tors. theta energy: -2.065 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: 396 Temperature: 1.200000 Total energy: -52.709108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.709108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.709108 (E_RNA) where: Base-Base interactions energy: -23.771 where: short stacking energy: -14.484 Base-Backbone interact. energy: -0.031 local terms energy: -28.906853 where: bonds (distance) C4'-P energy: -7.046 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.828 flat angles P-C4'-P energy: -3.286 tors. eta vs tors. theta energy: -1.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -50.038076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.038076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.038076 (E_RNA) where: Base-Base interactions energy: -18.905 where: short stacking energy: -18.905 Base-Backbone interact. energy: -0.007 local terms energy: -31.125914 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -2.747 flat angles P-C4'-P energy: -5.934 tors. eta vs tors. theta energy: -5.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -51.793530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.793530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.793530 (E_RNA) where: Base-Base interactions energy: -19.254 where: short stacking energy: -19.254 Base-Backbone interact. energy: -0.015 local terms energy: -32.525272 where: bonds (distance) C4'-P energy: -6.582 bonds (distance) P-C4' energy: -8.054 flat angles C4'-P-C4' energy: -6.066 flat angles P-C4'-P energy: -7.116 tors. eta vs tors. theta energy: -4.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -44.090505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.090505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.090505 (E_RNA) where: Base-Base interactions energy: -18.728 where: short stacking energy: -18.728 Base-Backbone interact. energy: -0.040 local terms energy: -25.322239 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -7.411 flat angles C4'-P-C4' energy: -5.642 flat angles P-C4'-P energy: -5.135 tors. eta vs tors. theta energy: -0.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -69.359257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.359257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.359257 (E_RNA) where: Base-Base interactions energy: -31.950 where: short stacking energy: -29.672 Base-Backbone interact. energy: -0.000 local terms energy: -37.409143 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -6.900 flat angles P-C4'-P energy: -6.347 tors. eta vs tors. theta energy: -8.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -56.215763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.215763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.215763 (E_RNA) where: Base-Base interactions energy: -25.813 where: short stacking energy: -25.813 Base-Backbone interact. energy: -0.005 local terms energy: -30.397982 where: bonds (distance) C4'-P energy: -6.906 bonds (distance) P-C4' energy: -7.417 flat angles C4'-P-C4' energy: -6.514 flat angles P-C4'-P energy: -6.626 tors. eta vs tors. theta energy: -2.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -54.408801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.408801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.408801 (E_RNA) where: Base-Base interactions energy: -22.931 where: short stacking energy: -11.317 Base-Backbone interact. energy: -0.099 local terms energy: -31.378187 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -7.332 flat angles P-C4'-P energy: -5.157 tors. eta vs tors. theta energy: -2.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -46.459349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.459349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.459349 (E_RNA) where: Base-Base interactions energy: -18.467 where: short stacking energy: -18.467 Base-Backbone interact. energy: -0.054 local terms energy: -27.939015 where: bonds (distance) C4'-P energy: -6.590 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.893 flat angles P-C4'-P energy: -1.728 tors. eta vs tors. theta energy: -2.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -48.831936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.831936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.831936 (E_RNA) where: Base-Base interactions energy: -19.635 where: short stacking energy: -18.804 Base-Backbone interact. energy: -0.122 local terms energy: -29.074693 where: bonds (distance) C4'-P energy: -6.752 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -5.537 flat angles P-C4'-P energy: -6.082 tors. eta vs tors. theta energy: -2.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -47.854589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.854589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.854589 (E_RNA) where: Base-Base interactions energy: -16.779 where: short stacking energy: -14.748 Base-Backbone interact. energy: -0.017 local terms energy: -31.059074 where: bonds (distance) C4'-P energy: -6.355 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -7.541 flat angles P-C4'-P energy: -6.132 tors. eta vs tors. theta energy: -2.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -49.161822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.161822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.161822 (E_RNA) where: Base-Base interactions energy: -20.433 where: short stacking energy: -19.111 Base-Backbone interact. energy: -0.004 local terms energy: -28.724941 where: bonds (distance) C4'-P energy: -4.401 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -3.553 tors. eta vs tors. theta energy: -5.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -48.506627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.506627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.506627 (E_RNA) where: Base-Base interactions energy: -23.617 where: short stacking energy: -19.835 Base-Backbone interact. energy: 2.216 local terms energy: -27.105970 where: bonds (distance) C4'-P energy: -5.121 bonds (distance) P-C4' energy: -7.702 flat angles C4'-P-C4' energy: -7.025 flat angles P-C4'-P energy: -5.965 tors. eta vs tors. theta energy: -1.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -43.453523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.453523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.453523 (E_RNA) where: Base-Base interactions energy: -15.339 where: short stacking energy: -15.339 Base-Backbone interact. energy: -0.038 local terms energy: -28.076546 where: bonds (distance) C4'-P energy: -6.296 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -5.280 flat angles P-C4'-P energy: -5.448 tors. eta vs tors. theta energy: -3.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -45.225558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.225558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.225558 (E_RNA) where: Base-Base interactions energy: -14.143 where: short stacking energy: -14.143 Base-Backbone interact. energy: -0.001 local terms energy: -31.080642 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.352 flat angles P-C4'-P energy: -3.337 tors. eta vs tors. theta energy: -5.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -81.056873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.056873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.056873 (E_RNA) where: Base-Base interactions energy: -44.361 where: short stacking energy: -24.961 Base-Backbone interact. energy: -0.003 local terms energy: -36.693203 where: bonds (distance) C4'-P energy: -8.780 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -8.809 flat angles P-C4'-P energy: -6.592 tors. eta vs tors. theta energy: -4.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -65.760172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.760172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.760172 (E_RNA) where: Base-Base interactions energy: -40.461 where: short stacking energy: -18.249 Base-Backbone interact. energy: -0.511 local terms energy: -24.788846 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -4.326 flat angles C4'-P-C4' energy: -4.978 flat angles P-C4'-P energy: -6.127 tors. eta vs tors. theta energy: -2.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -69.944082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.944082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.944082 (E_RNA) where: Base-Base interactions energy: -30.425 where: short stacking energy: -30.425 Base-Backbone interact. energy: -0.000 local terms energy: -39.519040 where: bonds (distance) C4'-P energy: -6.938 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.560 flat angles P-C4'-P energy: -5.460 tors. eta vs tors. theta energy: -10.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -55.864001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.864001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.864001 (E_RNA) where: Base-Base interactions energy: -29.303 where: short stacking energy: -13.982 Base-Backbone interact. energy: -0.388 local terms energy: -26.173142 where: bonds (distance) C4'-P energy: -8.006 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -5.341 flat angles P-C4'-P energy: -5.294 tors. eta vs tors. theta energy: -0.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -58.166135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.166135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.166135 (E_RNA) where: Base-Base interactions energy: -32.977 where: short stacking energy: -23.000 Base-Backbone interact. energy: -0.463 local terms energy: -24.725768 where: bonds (distance) C4'-P energy: -6.119 bonds (distance) P-C4' energy: -4.966 flat angles C4'-P-C4' energy: -7.592 flat angles P-C4'-P energy: -4.116 tors. eta vs tors. theta energy: -1.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -45.852763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.852763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.852763 (E_RNA) where: Base-Base interactions energy: -14.724 where: short stacking energy: -14.496 Base-Backbone interact. energy: -0.050 local terms energy: -31.079693 where: bonds (distance) C4'-P energy: -6.209 bonds (distance) P-C4' energy: -7.760 flat angles C4'-P-C4' energy: -7.237 flat angles P-C4'-P energy: -6.844 tors. eta vs tors. theta energy: -3.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -49.650733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.650733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.650733 (E_RNA) where: Base-Base interactions energy: -23.205 where: short stacking energy: -18.751 Base-Backbone interact. energy: -0.130 local terms energy: -26.315243 where: bonds (distance) C4'-P energy: -6.449 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -4.480 flat angles P-C4'-P energy: -5.280 tors. eta vs tors. theta energy: -1.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -47.370282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.370282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.370282 (E_RNA) where: Base-Base interactions energy: -18.576 where: short stacking energy: -14.621 Base-Backbone interact. energy: -0.121 local terms energy: -28.673702 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -7.041 flat angles P-C4'-P energy: -5.543 tors. eta vs tors. theta energy: -0.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -47.359924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.359924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.359924 (E_RNA) where: Base-Base interactions energy: -17.607 where: short stacking energy: -17.607 Base-Backbone interact. energy: -0.002 local terms energy: -29.750995 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -5.789 flat angles P-C4'-P energy: -3.215 tors. eta vs tors. theta energy: -5.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -45.350430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.350430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.350430 (E_RNA) where: Base-Base interactions energy: -14.672 where: short stacking energy: -14.672 Base-Backbone interact. energy: -0.001 local terms energy: -30.677193 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.552 flat angles P-C4'-P energy: -4.938 tors. eta vs tors. theta energy: -1.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -81.892017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.892017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.892017 (E_RNA) where: Base-Base interactions energy: -46.294 where: short stacking energy: -23.734 Base-Backbone interact. energy: -0.005 local terms energy: -35.592871 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -8.360 flat angles P-C4'-P energy: -5.027 tors. eta vs tors. theta energy: -4.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -60.229258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.229258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.229258 (E_RNA) where: Base-Base interactions energy: -27.247 where: short stacking energy: -27.006 Base-Backbone interact. energy: -0.000 local terms energy: -32.982254 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -7.459 flat angles C4'-P-C4' energy: -6.725 flat angles P-C4'-P energy: -4.257 tors. eta vs tors. theta energy: -6.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -60.979221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.979221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.979221 (E_RNA) where: Base-Base interactions energy: -26.007 where: short stacking energy: -26.007 Base-Backbone interact. energy: -0.080 local terms energy: -34.891808 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.853 flat angles P-C4'-P energy: -1.421 tors. eta vs tors. theta energy: -8.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -51.094005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.094005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.094005 (E_RNA) where: Base-Base interactions energy: -21.857 where: short stacking energy: -17.339 Base-Backbone interact. energy: -0.001 local terms energy: -29.236023 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.462 flat angles P-C4'-P energy: -5.300 tors. eta vs tors. theta energy: -2.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -45.094056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.094056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.094056 (E_RNA) where: Base-Base interactions energy: -15.511 where: short stacking energy: -15.511 Base-Backbone interact. energy: -0.003 local terms energy: -29.580435 where: bonds (distance) C4'-P energy: -6.209 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -5.893 flat angles P-C4'-P energy: -6.471 tors. eta vs tors. theta energy: -2.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -45.910625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.910625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.910625 (E_RNA) where: Base-Base interactions energy: -20.871 where: short stacking energy: -20.871 Base-Backbone interact. energy: -0.113 local terms energy: -24.926701 where: bonds (distance) C4'-P energy: -9.260 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -3.117 flat angles P-C4'-P energy: 0.921 tors. eta vs tors. theta energy: -5.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -43.389268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.389268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.389268 (E_RNA) where: Base-Base interactions energy: -15.565 where: short stacking energy: -15.565 Base-Backbone interact. energy: -0.056 local terms energy: -27.768116 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.697 flat angles P-C4'-P energy: -4.087 tors. eta vs tors. theta energy: 0.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -44.698860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.698860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.698860 (E_RNA) where: Base-Base interactions energy: -21.627 where: short stacking energy: -8.953 Base-Backbone interact. energy: -0.805 local terms energy: -22.266034 where: bonds (distance) C4'-P energy: -5.556 bonds (distance) P-C4' energy: -7.095 flat angles C4'-P-C4' energy: -4.143 flat angles P-C4'-P energy: -4.868 tors. eta vs tors. theta energy: -0.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -42.817277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.817277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.817277 (E_RNA) where: Base-Base interactions energy: -16.845 where: short stacking energy: -16.845 Base-Backbone interact. energy: 0.265 local terms energy: -26.237417 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -7.429 flat angles C4'-P-C4' energy: -4.167 flat angles P-C4'-P energy: -3.065 tors. eta vs tors. theta energy: -5.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -44.851614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.851614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.851614 (E_RNA) where: Base-Base interactions energy: -14.242 where: short stacking energy: -14.242 Base-Backbone interact. energy: -0.053 local terms energy: -30.556498 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -7.667 flat angles P-C4'-P energy: -4.599 tors. eta vs tors. theta energy: -2.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -81.586632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.586632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.586632 (E_RNA) where: Base-Base interactions energy: -40.867 where: short stacking energy: -36.038 Base-Backbone interact. energy: -0.000 local terms energy: -40.719728 where: bonds (distance) C4'-P energy: -6.851 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -9.130 flat angles P-C4'-P energy: -6.918 tors. eta vs tors. theta energy: -8.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -74.947037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.947037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.947037 (E_RNA) where: Base-Base interactions energy: -41.251 where: short stacking energy: -25.703 Base-Backbone interact. energy: -0.001 local terms energy: -33.694570 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -6.221 flat angles P-C4'-P energy: -6.522 tors. eta vs tors. theta energy: -3.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -68.135363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.135363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.135363 (E_RNA) where: Base-Base interactions energy: -29.402 where: short stacking energy: -26.102 Base-Backbone interact. energy: -0.082 local terms energy: -38.651903 where: bonds (distance) C4'-P energy: -5.854 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.948 flat angles P-C4'-P energy: -6.632 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: 4, replica: 4 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -64.628424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.628424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.628424 (E_RNA) where: Base-Base interactions energy: -28.509 where: short stacking energy: -28.509 Base-Backbone interact. energy: -0.004 local terms energy: -36.115653 where: bonds (distance) C4'-P energy: -6.769 bonds (distance) P-C4' energy: -5.048 flat angles C4'-P-C4' energy: -6.118 flat angles P-C4'-P energy: -7.276 tors. eta vs tors. theta energy: -10.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -53.539325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.539325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.539325 (E_RNA) where: Base-Base interactions energy: -19.809 where: short stacking energy: -19.809 Base-Backbone interact. energy: -0.017 local terms energy: -33.713246 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.372 flat angles P-C4'-P energy: -6.468 tors. eta vs tors. theta energy: -5.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -47.312666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.312666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.312666 (E_RNA) where: Base-Base interactions energy: -19.071 where: short stacking energy: -19.071 Base-Backbone interact. energy: -0.005 local terms energy: -28.236922 where: bonds (distance) C4'-P energy: -4.198 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.229 flat angles P-C4'-P energy: -4.479 tors. eta vs tors. theta energy: -2.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -50.266585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.266585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.266585 (E_RNA) where: Base-Base interactions energy: -16.696 where: short stacking energy: -16.696 Base-Backbone interact. energy: -0.012 local terms energy: -33.558317 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -4.203 flat angles P-C4'-P energy: -6.177 tors. eta vs tors. theta energy: -6.500 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: 8, replica: 5 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -53.108245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.108245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.108245 (E_RNA) where: Base-Base interactions energy: -24.138 where: short stacking energy: -24.138 Base-Backbone interact. energy: -0.099 local terms energy: -28.871865 where: bonds (distance) C4'-P energy: -6.603 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.270 flat angles P-C4'-P energy: -3.524 tors. eta vs tors. theta energy: -3.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -42.175531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.175531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.175531 (E_RNA) where: Base-Base interactions energy: -15.203 where: short stacking energy: -15.203 Base-Backbone interact. energy: -0.018 local terms energy: -26.954792 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -6.849 flat angles C4'-P-C4' energy: -4.737 flat angles P-C4'-P energy: -6.722 tors. eta vs tors. theta energy: -2.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -41.282095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.282095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.282095 (E_RNA) where: Base-Base interactions energy: -10.768 where: short stacking energy: -10.768 Base-Backbone interact. energy: -0.021 local terms energy: -30.493043 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -8.969 flat angles P-C4'-P energy: -4.053 tors. eta vs tors. theta energy: -1.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -67.205448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.205448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.205448 (E_RNA) where: Base-Base interactions energy: -30.360 where: short stacking energy: -30.360 Base-Backbone interact. energy: -0.000 local terms energy: -36.844933 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.134 flat angles P-C4'-P energy: -3.932 tors. eta vs tors. theta energy: -7.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -66.873203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.873203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.873203 (E_RNA) where: Base-Base interactions energy: -25.747 where: short stacking energy: -25.747 Base-Backbone interact. energy: -0.000 local terms energy: -41.125987 where: bonds (distance) C4'-P energy: -8.946 bonds (distance) P-C4' energy: -7.830 flat angles C4'-P-C4' energy: -8.892 flat angles P-C4'-P energy: -6.377 tors. eta vs tors. theta energy: -9.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -56.600371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.600371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.600371 (E_RNA) where: Base-Base interactions energy: -20.257 where: short stacking energy: -20.257 Base-Backbone interact. energy: -0.000 local terms energy: -36.343716 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.933 flat angles P-C4'-P energy: -5.765 tors. eta vs tors. theta energy: -6.905 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: 4 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -54.102741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.102741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.102741 (E_RNA) where: Base-Base interactions energy: -22.800 where: short stacking energy: -22.800 Base-Backbone interact. energy: -0.028 local terms energy: -31.274980 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -7.810 flat angles P-C4'-P energy: -4.654 tors. eta vs tors. theta energy: -4.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -66.095268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.095268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.095268 (E_RNA) where: Base-Base interactions energy: -33.321 where: short stacking energy: -17.273 Base-Backbone interact. energy: -0.424 local terms energy: -32.350682 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.816 flat angles P-C4'-P energy: -4.823 tors. eta vs tors. theta energy: -3.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -55.543149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.543149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.543149 (E_RNA) where: Base-Base interactions energy: -25.758 where: short stacking energy: -20.554 Base-Backbone interact. energy: -0.002 local terms energy: -29.783000 where: bonds (distance) C4'-P energy: -6.558 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -6.294 flat angles P-C4'-P energy: -4.839 tors. eta vs tors. theta energy: -2.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -40.489688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.489688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.489688 (E_RNA) where: Base-Base interactions energy: -13.632 where: short stacking energy: -12.765 Base-Backbone interact. energy: -0.025 local terms energy: -26.831865 where: bonds (distance) C4'-P energy: -7.459 bonds (distance) P-C4' energy: -8.178 flat angles C4'-P-C4' energy: -7.164 flat angles P-C4'-P energy: -3.432 tors. eta vs tors. theta energy: -0.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -46.229777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.229777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.229777 (E_RNA) where: Base-Base interactions energy: -18.820 where: short stacking energy: -18.820 Base-Backbone interact. energy: -0.000 local terms energy: -27.409555 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -3.584 flat angles P-C4'-P energy: -4.347 tors. eta vs tors. theta energy: -6.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -45.687852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.687852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.687852 (E_RNA) where: Base-Base interactions energy: -16.989 where: short stacking energy: -12.451 Base-Backbone interact. energy: -0.010 local terms energy: -28.688460 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -7.650 flat angles C4'-P-C4' energy: -6.664 flat angles P-C4'-P energy: -4.120 tors. eta vs tors. theta energy: -3.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -41.319959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.319959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.319959 (E_RNA) where: Base-Base interactions energy: -19.219 where: short stacking energy: -15.364 Base-Backbone interact. energy: -0.143 local terms energy: -21.957296 where: bonds (distance) C4'-P energy: -4.061 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -5.787 flat angles P-C4'-P energy: -3.834 tors. eta vs tors. theta energy: -0.685 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: 1 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -65.984675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.984675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.984675 (E_RNA) where: Base-Base interactions energy: -33.868 where: short stacking energy: -24.272 Base-Backbone interact. energy: 0.041 local terms energy: -32.156899 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -8.703 flat angles P-C4'-P energy: -3.047 tors. eta vs tors. theta energy: -3.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -66.024624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.024624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.024624 (E_RNA) where: Base-Base interactions energy: -28.643 where: short stacking energy: -28.643 Base-Backbone interact. energy: -0.000 local terms energy: -37.381846 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -6.390 flat angles C4'-P-C4' energy: -7.689 flat angles P-C4'-P energy: -6.380 tors. eta vs tors. theta energy: -9.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -59.879491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.879491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.879491 (E_RNA) where: Base-Base interactions energy: -26.879 where: short stacking energy: -26.879 Base-Backbone interact. energy: -0.016 local terms energy: -32.985367 where: bonds (distance) C4'-P energy: -7.037 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -6.862 flat angles P-C4'-P energy: -5.763 tors. eta vs tors. theta energy: -4.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -54.366378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.366378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.366378 (E_RNA) where: Base-Base interactions energy: -24.769 where: short stacking energy: -24.769 Base-Backbone interact. energy: -0.047 local terms energy: -29.550519 where: bonds (distance) C4'-P energy: -9.020 bonds (distance) P-C4' energy: -6.185 flat angles C4'-P-C4' energy: -7.252 flat angles P-C4'-P energy: -2.254 tors. eta vs tors. theta energy: -4.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -63.609682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.609682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.609682 (E_RNA) where: Base-Base interactions energy: -25.788 where: short stacking energy: -25.788 Base-Backbone interact. energy: -0.000 local terms energy: -37.821172 where: bonds (distance) C4'-P energy: -7.638 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -7.449 flat angles P-C4'-P energy: -5.223 tors. eta vs tors. theta energy: -8.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -50.987203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.987203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.987203 (E_RNA) where: Base-Base interactions energy: -23.679 where: short stacking energy: -23.679 Base-Backbone interact. energy: -0.001 local terms energy: -27.307582 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -5.986 flat angles C4'-P-C4' energy: -6.427 flat angles P-C4'-P energy: -3.326 tors. eta vs tors. theta energy: -4.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -42.789955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.789955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.789955 (E_RNA) where: Base-Base interactions energy: -14.678 where: short stacking energy: -14.678 Base-Backbone interact. energy: -0.108 local terms energy: -28.003679 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -7.602 flat angles P-C4'-P energy: -5.094 tors. eta vs tors. theta energy: -1.151 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: 6 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -45.903201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.903201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.903201 (E_RNA) where: Base-Base interactions energy: -14.851 where: short stacking energy: -14.851 Base-Backbone interact. energy: -0.147 local terms energy: -30.905323 where: bonds (distance) C4'-P energy: -7.182 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -7.796 flat angles P-C4'-P energy: -5.661 tors. eta vs tors. theta energy: -1.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -38.778349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.778349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.778349 (E_RNA) where: Base-Base interactions energy: -11.793 where: short stacking energy: -11.793 Base-Backbone interact. energy: -0.996 local terms energy: -25.989397 where: bonds (distance) C4'-P energy: -5.626 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -6.550 flat angles P-C4'-P energy: -5.561 tors. eta vs tors. theta energy: 0.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -41.357065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.357065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.357065 (E_RNA) where: Base-Base interactions energy: -15.782 where: short stacking energy: -15.782 Base-Backbone interact. energy: -0.031 local terms energy: -25.544163 where: bonds (distance) C4'-P energy: -6.090 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -5.780 flat angles P-C4'-P energy: -4.573 tors. eta vs tors. theta energy: -3.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -63.683199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.683199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.683199 (E_RNA) where: Base-Base interactions energy: -28.945 where: short stacking energy: -28.945 Base-Backbone interact. energy: -0.081 local terms energy: -34.657645 where: bonds (distance) C4'-P energy: -6.599 bonds (distance) P-C4' energy: -6.893 flat angles C4'-P-C4' energy: -8.264 flat angles P-C4'-P energy: -5.746 tors. eta vs tors. theta energy: -7.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -66.522326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.522326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.522326 (E_RNA) where: Base-Base interactions energy: -29.299 where: short stacking energy: -29.299 Base-Backbone interact. energy: -0.013 local terms energy: -37.209798 where: bonds (distance) C4'-P energy: -5.187 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -7.593 flat angles P-C4'-P energy: -6.511 tors. eta vs tors. theta energy: -9.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -59.229221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.229221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.229221 (E_RNA) where: Base-Base interactions energy: -25.324 where: short stacking energy: -25.324 Base-Backbone interact. energy: -0.042 local terms energy: -33.863016 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -5.929 flat angles P-C4'-P energy: -6.669 tors. eta vs tors. theta energy: -6.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -54.689405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.689405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.689405 (E_RNA) where: Base-Base interactions energy: -24.256 where: short stacking energy: -24.256 Base-Backbone interact. energy: 0.446 local terms energy: -30.878737 where: bonds (distance) C4'-P energy: -5.224 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -6.946 flat angles P-C4'-P energy: -5.414 tors. eta vs tors. theta energy: -5.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -49.022675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.022675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.022675 (E_RNA) where: Base-Base interactions energy: -19.059 where: short stacking energy: -16.936 Base-Backbone interact. energy: -0.103 local terms energy: -29.860963 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -7.689 flat angles C4'-P-C4' energy: -6.237 flat angles P-C4'-P energy: -3.154 tors. eta vs tors. theta energy: -4.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -50.174952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.174952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.174952 (E_RNA) where: Base-Base interactions energy: -20.600 where: short stacking energy: -15.144 Base-Backbone interact. energy: -0.004 local terms energy: -29.571243 where: bonds (distance) C4'-P energy: -6.867 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -5.623 flat angles P-C4'-P energy: -6.201 tors. eta vs tors. theta energy: -3.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -51.067946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.067946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.067946 (E_RNA) where: Base-Base interactions energy: -20.250 where: short stacking energy: -19.095 Base-Backbone interact. energy: -0.099 local terms energy: -30.719091 where: bonds (distance) C4'-P energy: -7.038 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -7.033 flat angles P-C4'-P energy: -7.648 tors. eta vs tors. theta energy: -3.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -47.742043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.742043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.742043 (E_RNA) where: Base-Base interactions energy: -17.099 where: short stacking energy: -17.099 Base-Backbone interact. energy: -0.024 local terms energy: -30.619032 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -6.305 flat angles C4'-P-C4' energy: -7.516 flat angles P-C4'-P energy: -4.967 tors. eta vs tors. theta energy: -3.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -44.502346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.502346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.502346 (E_RNA) where: Base-Base interactions energy: -18.671 where: short stacking energy: -14.326 Base-Backbone interact. energy: -0.191 local terms energy: -25.640074 where: bonds (distance) C4'-P energy: -6.545 bonds (distance) P-C4' energy: -7.658 flat angles C4'-P-C4' energy: -5.024 flat angles P-C4'-P energy: -3.956 tors. eta vs tors. theta energy: -2.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -42.552449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.552449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.552449 (E_RNA) where: Base-Base interactions energy: -16.775 where: short stacking energy: -16.775 Base-Backbone interact. energy: -0.005 local terms energy: -25.773146 where: bonds (distance) C4'-P energy: -5.237 bonds (distance) P-C4' energy: -6.336 flat angles C4'-P-C4' energy: -7.489 flat angles P-C4'-P energy: -2.129 tors. eta vs tors. theta energy: -4.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -66.704068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.704068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.704068 (E_RNA) where: Base-Base interactions energy: -28.638 where: short stacking energy: -28.638 Base-Backbone interact. energy: -0.006 local terms energy: -38.059507 where: bonds (distance) C4'-P energy: -8.217 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -7.701 flat angles P-C4'-P energy: -6.915 tors. eta vs tors. theta energy: -6.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -60.422711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.422711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.422711 (E_RNA) where: Base-Base interactions energy: -24.902 where: short stacking energy: -20.178 Base-Backbone interact. energy: -0.005 local terms energy: -35.516068 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -8.599 flat angles P-C4'-P energy: -5.501 tors. eta vs tors. theta energy: -4.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -61.614534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.614534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.614534 (E_RNA) where: Base-Base interactions energy: -29.468 where: short stacking energy: -22.980 Base-Backbone interact. energy: -0.001 local terms energy: -32.146333 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.507 flat angles P-C4'-P energy: -5.275 tors. eta vs tors. theta energy: -4.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -52.689374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.689374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.689374 (E_RNA) where: Base-Base interactions energy: -22.140 where: short stacking energy: -18.271 Base-Backbone interact. energy: -0.870 local terms energy: -29.679142 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -5.005 flat angles P-C4'-P energy: -6.292 tors. eta vs tors. theta energy: -4.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -45.143051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.143051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.143051 (E_RNA) where: Base-Base interactions energy: -13.217 where: short stacking energy: -9.848 Base-Backbone interact. energy: -0.356 local terms energy: -31.569964 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -7.472 flat angles P-C4'-P energy: -4.411 tors. eta vs tors. theta energy: -3.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -52.657056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.657056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.657056 (E_RNA) where: Base-Base interactions energy: -20.319 where: short stacking energy: -9.299 Base-Backbone interact. energy: -0.080 local terms energy: -32.258413 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -6.945 flat angles P-C4'-P energy: -4.449 tors. eta vs tors. theta energy: -4.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -55.345688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.345688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.345688 (E_RNA) where: Base-Base interactions energy: -24.097 where: short stacking energy: -24.097 Base-Backbone interact. energy: -0.000 local terms energy: -31.248227 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -5.647 flat angles P-C4'-P energy: -3.598 tors. eta vs tors. theta energy: -9.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -45.110558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.110558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.110558 (E_RNA) where: Base-Base interactions energy: -21.727 where: short stacking energy: -21.388 Base-Backbone interact. energy: 0.312 local terms energy: -23.695566 where: bonds (distance) C4'-P energy: -3.531 bonds (distance) P-C4' energy: -3.457 flat angles C4'-P-C4' energy: -8.370 flat angles P-C4'-P energy: -2.215 tors. eta vs tors. theta energy: -6.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -44.859006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.859006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.859006 (E_RNA) where: Base-Base interactions energy: -17.808 where: short stacking energy: -17.808 Base-Backbone interact. energy: -0.015 local terms energy: -27.036183 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -4.372 flat angles P-C4'-P energy: -2.150 tors. eta vs tors. theta energy: -3.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -44.923785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.923785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.923785 (E_RNA) where: Base-Base interactions energy: -17.747 where: short stacking energy: -17.379 Base-Backbone interact. energy: -0.850 local terms energy: -26.326238 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -7.152 flat angles P-C4'-P energy: -2.737 tors. eta vs tors. theta energy: -3.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -69.180134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.180134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.180134 (E_RNA) where: Base-Base interactions energy: -31.131 where: short stacking energy: -31.131 Base-Backbone interact. energy: -0.000 local terms energy: -38.049179 where: bonds (distance) C4'-P energy: -6.102 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -8.161 flat angles P-C4'-P energy: -6.660 tors. eta vs tors. theta energy: -8.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -69.311710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.311710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.311710 (E_RNA) where: Base-Base interactions energy: -29.554 where: short stacking energy: -29.554 Base-Backbone interact. energy: -0.000 local terms energy: -39.757292 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.481 flat angles P-C4'-P energy: -4.274 tors. eta vs tors. theta energy: -8.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -59.719638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.719638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.719638 (E_RNA) where: Base-Base interactions energy: -24.147 where: short stacking energy: -24.147 Base-Backbone interact. energy: -0.006 local terms energy: -35.566460 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -7.505 flat angles P-C4'-P energy: -5.895 tors. eta vs tors. theta energy: -5.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -62.724790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.724790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.724790 (E_RNA) where: Base-Base interactions energy: -32.399 where: short stacking energy: -22.640 Base-Backbone interact. energy: 0.175 local terms energy: -30.501048 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -6.274 flat angles P-C4'-P energy: -5.277 tors. eta vs tors. theta energy: -2.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -53.246065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.246065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.246065 (E_RNA) where: Base-Base interactions energy: -21.817 where: short stacking energy: -21.588 Base-Backbone interact. energy: -0.008 local terms energy: -31.420490 where: bonds (distance) C4'-P energy: -5.745 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.731 flat angles P-C4'-P energy: -5.788 tors. eta vs tors. theta energy: -3.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -52.498503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.498503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.498503 (E_RNA) where: Base-Base interactions energy: -25.378 where: short stacking energy: -11.066 Base-Backbone interact. energy: 1.556 local terms energy: -28.676875 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.843 flat angles P-C4'-P energy: -6.670 tors. eta vs tors. theta energy: 1.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -47.083824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.083824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.083824 (E_RNA) where: Base-Base interactions energy: -17.983 where: short stacking energy: -14.925 Base-Backbone interact. energy: -2.199 local terms energy: -26.901337 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -3.230 flat angles P-C4'-P energy: -4.264 tors. eta vs tors. theta energy: -2.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -41.178865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.178865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.178865 (E_RNA) where: Base-Base interactions energy: -14.633 where: short stacking energy: -13.356 Base-Backbone interact. energy: 1.471 local terms energy: -28.017250 where: bonds (distance) C4'-P energy: -6.777 bonds (distance) P-C4' energy: -8.287 flat angles C4'-P-C4' energy: -7.758 flat angles P-C4'-P energy: -4.815 tors. eta vs tors. theta energy: -0.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -47.551083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.551083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.551083 (E_RNA) where: Base-Base interactions energy: -16.183 where: short stacking energy: -16.183 Base-Backbone interact. energy: -0.001 local terms energy: -31.367034 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -7.584 flat angles C4'-P-C4' energy: -5.411 flat angles P-C4'-P energy: -6.499 tors. eta vs tors. theta energy: -3.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -45.648800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.648800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.648800 (E_RNA) where: Base-Base interactions energy: -19.461 where: short stacking energy: -19.461 Base-Backbone interact. energy: -0.006 local terms energy: -26.182341 where: bonds (distance) C4'-P energy: -6.483 bonds (distance) P-C4' energy: -6.309 flat angles C4'-P-C4' energy: -6.526 flat angles P-C4'-P energy: -2.699 tors. eta vs tors. theta energy: -4.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -64.630654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.630654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.630654 (E_RNA) where: Base-Base interactions energy: -36.931 where: short stacking energy: -20.221 Base-Backbone interact. energy: -0.029 local terms energy: -27.670333 where: bonds (distance) C4'-P energy: -5.966 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.009 flat angles P-C4'-P energy: -2.336 tors. eta vs tors. theta energy: -4.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -74.976785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.976785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.976785 (E_RNA) where: Base-Base interactions energy: -35.367 where: short stacking energy: -31.833 Base-Backbone interact. energy: -0.000 local terms energy: -39.609021 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.491 flat angles P-C4'-P energy: -7.150 tors. eta vs tors. theta energy: -9.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -71.337319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.337319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.337319 (E_RNA) where: Base-Base interactions energy: -34.840 where: short stacking energy: -25.236 Base-Backbone interact. energy: -0.646 local terms energy: -35.851050 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -6.763 flat angles P-C4'-P energy: -5.851 tors. eta vs tors. theta energy: -7.315 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: 1 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -51.478465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.478465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.478465 (E_RNA) where: Base-Base interactions energy: -18.457 where: short stacking energy: -17.831 Base-Backbone interact. energy: 0.042 local terms energy: -33.063785 where: bonds (distance) C4'-P energy: -7.204 bonds (distance) P-C4' energy: -9.359 flat angles C4'-P-C4' energy: -5.449 flat angles P-C4'-P energy: -6.636 tors. eta vs tors. theta energy: -4.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -61.123207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.123207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.123207 (E_RNA) where: Base-Base interactions energy: -26.725 where: short stacking energy: -26.725 Base-Backbone interact. energy: -0.000 local terms energy: -34.398443 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -7.062 flat angles C4'-P-C4' energy: -8.262 flat angles P-C4'-P energy: -3.766 tors. eta vs tors. theta energy: -8.122 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: 2 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -45.097599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.097599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.097599 (E_RNA) where: Base-Base interactions energy: -17.416 where: short stacking energy: -12.563 Base-Backbone interact. energy: -0.004 local terms energy: -27.677613 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -7.297 flat angles C4'-P-C4' energy: -6.240 flat angles P-C4'-P energy: -4.311 tors. eta vs tors. theta energy: -2.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -50.045140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.045140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.045140 (E_RNA) where: Base-Base interactions energy: -18.240 where: short stacking energy: -17.364 Base-Backbone interact. energy: -0.000 local terms energy: -31.804778 where: bonds (distance) C4'-P energy: -3.697 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -7.052 flat angles P-C4'-P energy: -4.583 tors. eta vs tors. theta energy: -8.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -57.694513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.694513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.694513 (E_RNA) where: Base-Base interactions energy: -20.403 where: short stacking energy: -20.403 Base-Backbone interact. energy: -0.000 local terms energy: -37.291275 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -6.488 flat angles P-C4'-P energy: -5.615 tors. eta vs tors. theta energy: -9.148 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: 7 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -50.975408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.975408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.975408 (E_RNA) where: Base-Base interactions energy: -16.821 where: short stacking energy: -16.821 Base-Backbone interact. energy: -0.100 local terms energy: -34.054593 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -8.283 flat angles P-C4'-P energy: -1.459 tors. eta vs tors. theta energy: -8.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -41.606829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.606829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.606829 (E_RNA) where: Base-Base interactions energy: -18.923 where: short stacking energy: -18.923 Base-Backbone interact. energy: -0.005 local terms energy: -22.678729 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -3.945 flat angles P-C4'-P energy: -3.554 tors. eta vs tors. theta energy: -2.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -69.560085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.560085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.560085 (E_RNA) where: Base-Base interactions energy: -33.348 where: short stacking energy: -33.348 Base-Backbone interact. energy: -0.000 local terms energy: -36.212183 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -6.569 flat angles P-C4'-P energy: -4.074 tors. eta vs tors. theta energy: -9.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -64.517241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.517241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.517241 (E_RNA) where: Base-Base interactions energy: -28.664 where: short stacking energy: -20.960 Base-Backbone interact. energy: -0.001 local terms energy: -35.852578 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.463 flat angles C4'-P-C4' energy: -6.597 flat angles P-C4'-P energy: -6.310 tors. eta vs tors. theta energy: -6.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -72.664066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.664066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.664066 (E_RNA) where: Base-Base interactions energy: -36.510 where: short stacking energy: -32.884 Base-Backbone interact. energy: -0.000 local terms energy: -36.153527 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -6.363 flat angles P-C4'-P energy: -5.466 tors. eta vs tors. theta energy: -8.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -56.330497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.330497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.330497 (E_RNA) where: Base-Base interactions energy: -24.158 where: short stacking energy: -24.158 Base-Backbone interact. energy: -0.002 local terms energy: -32.170163 where: bonds (distance) C4'-P energy: -6.594 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -6.234 flat angles P-C4'-P energy: -5.359 tors. eta vs tors. theta energy: -5.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -48.803823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.803823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.803823 (E_RNA) where: Base-Base interactions energy: -18.010 where: short stacking energy: -18.010 Base-Backbone interact. energy: -0.094 local terms energy: -30.699719 where: bonds (distance) C4'-P energy: -7.861 bonds (distance) P-C4' energy: -9.289 flat angles C4'-P-C4' energy: -7.181 flat angles P-C4'-P energy: -3.020 tors. eta vs tors. theta energy: -3.349 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: 6 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -52.440140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.440140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.440140 (E_RNA) where: Base-Base interactions energy: -23.030 where: short stacking energy: -23.030 Base-Backbone interact. energy: -0.029 local terms energy: -29.380688 where: bonds (distance) C4'-P energy: -4.860 bonds (distance) P-C4' energy: -8.256 flat angles C4'-P-C4' energy: -5.058 flat angles P-C4'-P energy: -6.314 tors. eta vs tors. theta energy: -4.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -47.768833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.768833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.768833 (E_RNA) where: Base-Base interactions energy: -18.211 where: short stacking energy: -18.211 Base-Backbone interact. energy: -0.006 local terms energy: -29.551840 where: bonds (distance) C4'-P energy: -6.591 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -6.878 flat angles P-C4'-P energy: -5.580 tors. eta vs tors. theta energy: -3.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -47.242935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.242935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.242935 (E_RNA) where: Base-Base interactions energy: -19.716 where: short stacking energy: -16.612 Base-Backbone interact. energy: -0.012 local terms energy: -27.514926 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -7.385 flat angles P-C4'-P energy: -4.129 tors. eta vs tors. theta energy: -2.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -50.962849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.962849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.962849 (E_RNA) where: Base-Base interactions energy: -21.944 where: short stacking energy: -21.944 Base-Backbone interact. energy: -0.004 local terms energy: -29.014570 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -3.145 flat angles P-C4'-P energy: -6.844 tors. eta vs tors. theta energy: -5.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -40.023508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.023508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.023508 (E_RNA) where: Base-Base interactions energy: -13.684 where: short stacking energy: -10.693 Base-Backbone interact. energy: -0.692 local terms energy: -25.647861 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.769 flat angles P-C4'-P energy: -1.414 tors. eta vs tors. theta energy: -1.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -65.027646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.027646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.027646 (E_RNA) where: Base-Base interactions energy: -32.594 where: short stacking energy: -22.431 Base-Backbone interact. energy: -0.003 local terms energy: -32.430322 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -7.947 flat angles P-C4'-P energy: -6.574 tors. eta vs tors. theta energy: -2.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -63.307676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.307676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.307676 (E_RNA) where: Base-Base interactions energy: -28.783 where: short stacking energy: -15.855 Base-Backbone interact. energy: -0.018 local terms energy: -34.506883 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -7.820 flat angles C4'-P-C4' energy: -8.425 flat angles P-C4'-P energy: -6.719 tors. eta vs tors. theta energy: -2.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -58.815509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.815509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.815509 (E_RNA) where: Base-Base interactions energy: -26.217 where: short stacking energy: -26.217 Base-Backbone interact. energy: -0.015 local terms energy: -32.583793 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -6.989 flat angles P-C4'-P energy: -3.559 tors. eta vs tors. theta energy: -4.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -65.471029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.471029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.471029 (E_RNA) where: Base-Base interactions energy: -27.749 where: short stacking energy: -27.749 Base-Backbone interact. energy: -0.000 local terms energy: -37.722259 where: bonds (distance) C4'-P energy: -6.635 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -7.397 flat angles P-C4'-P energy: -4.149 tors. eta vs tors. theta energy: -10.682 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: 6 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -61.404481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.404481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.404481 (E_RNA) where: Base-Base interactions energy: -30.432 where: short stacking energy: -19.413 Base-Backbone interact. energy: -0.001 local terms energy: -30.972227 where: bonds (distance) C4'-P energy: -7.245 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -6.409 flat angles P-C4'-P energy: -5.640 tors. eta vs tors. theta energy: -4.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -56.937966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.937966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.937966 (E_RNA) where: Base-Base interactions energy: -29.720 where: short stacking energy: -22.420 Base-Backbone interact. energy: -0.026 local terms energy: -27.192099 where: bonds (distance) C4'-P energy: -6.975 bonds (distance) P-C4' energy: -4.691 flat angles C4'-P-C4' energy: -4.033 flat angles P-C4'-P energy: -5.053 tors. eta vs tors. theta energy: -6.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -43.413939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.413939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.413939 (E_RNA) where: Base-Base interactions energy: -12.718 where: short stacking energy: -10.790 Base-Backbone interact. energy: -0.000 local terms energy: -30.695703 where: bonds (distance) C4'-P energy: -6.842 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.528 flat angles P-C4'-P energy: -3.130 tors. eta vs tors. theta energy: -4.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -50.372931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.372931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.372931 (E_RNA) where: Base-Base interactions energy: -23.477 where: short stacking energy: -12.320 Base-Backbone interact. energy: -0.121 local terms energy: -26.774928 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -6.457 flat angles P-C4'-P energy: -4.954 tors. eta vs tors. theta energy: 1.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -46.706679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.706679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.706679 (E_RNA) where: Base-Base interactions energy: -16.444 where: short stacking energy: -13.775 Base-Backbone interact. energy: -0.009 local terms energy: -30.253696 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -6.865 flat angles P-C4'-P energy: -4.999 tors. eta vs tors. theta energy: -2.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -42.095581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.095581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.095581 (E_RNA) where: Base-Base interactions energy: -17.548 where: short stacking energy: -17.548 Base-Backbone interact. energy: -0.003 local terms energy: -24.544833 where: bonds (distance) C4'-P energy: -6.867 bonds (distance) P-C4' energy: -6.585 flat angles C4'-P-C4' energy: -5.777 flat angles P-C4'-P energy: -3.219 tors. eta vs tors. theta energy: -2.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -65.670485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.670485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.670485 (E_RNA) where: Base-Base interactions energy: -28.656 where: short stacking energy: -28.656 Base-Backbone interact. energy: 0.096 local terms energy: -37.109979 where: bonds (distance) C4'-P energy: -6.677 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.251 flat angles P-C4'-P energy: -6.476 tors. eta vs tors. theta energy: -8.358 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: 5 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -60.011022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.011022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.011022 (E_RNA) where: Base-Base interactions energy: -25.910 where: short stacking energy: -25.910 Base-Backbone interact. energy: -0.000 local terms energy: -34.100871 where: bonds (distance) C4'-P energy: -5.788 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.387 flat angles P-C4'-P energy: -5.622 tors. eta vs tors. theta energy: -6.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -53.791771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.791771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.791771 (E_RNA) where: Base-Base interactions energy: -25.137 where: short stacking energy: -11.301 Base-Backbone interact. energy: -0.761 local terms energy: -27.894051 where: bonds (distance) C4'-P energy: -6.760 bonds (distance) P-C4' energy: -9.073 flat angles C4'-P-C4' energy: -8.992 flat angles P-C4'-P energy: -2.500 tors. eta vs tors. theta energy: -0.568 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: 4, replica: 6 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -56.701204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.701204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.701204 (E_RNA) where: Base-Base interactions energy: -23.007 where: short stacking energy: -23.007 Base-Backbone interact. energy: -0.002 local terms energy: -33.692049 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -8.558 flat angles P-C4'-P energy: -5.225 tors. eta vs tors. theta energy: -6.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -55.342146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.342146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.342146 (E_RNA) where: Base-Base interactions energy: -24.935 where: short stacking energy: -24.935 Base-Backbone interact. energy: -0.170 local terms energy: -30.237631 where: bonds (distance) C4'-P energy: -5.547 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -5.936 flat angles P-C4'-P energy: -4.217 tors. eta vs tors. theta energy: -6.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -61.410574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.410574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.410574 (E_RNA) where: Base-Base interactions energy: -29.600 where: short stacking energy: -27.020 Base-Backbone interact. energy: -0.001 local terms energy: -31.810521 where: bonds (distance) C4'-P energy: -6.822 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -6.105 flat angles P-C4'-P energy: -5.675 tors. eta vs tors. theta energy: -5.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -46.566216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.566216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.566216 (E_RNA) where: Base-Base interactions energy: -13.782 where: short stacking energy: -13.782 Base-Backbone interact. energy: -0.188 local terms energy: -32.597067 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -7.849 flat angles P-C4'-P energy: -6.215 tors. eta vs tors. theta energy: -1.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -43.293121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.293121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.293121 (E_RNA) where: Base-Base interactions energy: -16.604 where: short stacking energy: -14.145 Base-Backbone interact. energy: -0.666 local terms energy: -26.023736 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -5.664 flat angles P-C4'-P energy: -0.982 tors. eta vs tors. theta energy: -2.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -39.083222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.083222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.083222 (E_RNA) where: Base-Base interactions energy: -13.252 where: short stacking energy: -9.797 Base-Backbone interact. energy: -0.499 local terms energy: -25.332577 where: bonds (distance) C4'-P energy: -4.977 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -7.484 flat angles P-C4'-P energy: -2.763 tors. eta vs tors. theta energy: -2.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -44.005912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.005912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.005912 (E_RNA) where: Base-Base interactions energy: -14.147 where: short stacking energy: -14.147 Base-Backbone interact. energy: -0.014 local terms energy: -29.844250 where: bonds (distance) C4'-P energy: -7.283 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -3.101 flat angles P-C4'-P energy: -6.429 tors. eta vs tors. theta energy: -3.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -58.223968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.223968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.223968 (E_RNA) where: Base-Base interactions energy: -24.396 where: short stacking energy: -24.396 Base-Backbone interact. energy: -0.001 local terms energy: -33.827774 where: bonds (distance) C4'-P energy: -7.203 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.047 flat angles P-C4'-P energy: -6.215 tors. eta vs tors. theta energy: -4.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -73.299344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.299344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.299344 (E_RNA) where: Base-Base interactions energy: -40.682 where: short stacking energy: -22.849 Base-Backbone interact. energy: -0.099 local terms energy: -32.518642 where: bonds (distance) C4'-P energy: -6.239 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.353 flat angles P-C4'-P energy: -5.408 tors. eta vs tors. theta energy: -4.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -61.377344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.377344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.377344 (E_RNA) where: Base-Base interactions energy: -28.628 where: short stacking energy: -23.562 Base-Backbone interact. energy: -0.140 local terms energy: -32.608948 where: bonds (distance) C4'-P energy: -6.798 bonds (distance) P-C4' energy: -8.510 flat angles C4'-P-C4' energy: -5.902 flat angles P-C4'-P energy: -5.703 tors. eta vs tors. theta energy: -5.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -54.132709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.132709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.132709 (E_RNA) where: Base-Base interactions energy: -23.897 where: short stacking energy: -15.220 Base-Backbone interact. energy: -0.051 local terms energy: -30.184653 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -6.883 flat angles P-C4'-P energy: -3.970 tors. eta vs tors. theta energy: -2.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -48.232007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.232007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.232007 (E_RNA) where: Base-Base interactions energy: -16.800 where: short stacking energy: -16.800 Base-Backbone interact. energy: -0.000 local terms energy: -31.432226 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -8.138 flat angles P-C4'-P energy: -3.824 tors. eta vs tors. theta energy: -4.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -52.876444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.876444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.876444 (E_RNA) where: Base-Base interactions energy: -28.365 where: short stacking energy: -20.252 Base-Backbone interact. energy: -0.132 local terms energy: -24.378816 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -7.099 flat angles P-C4'-P energy: -2.274 tors. eta vs tors. theta energy: -1.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -40.278339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.278339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.278339 (E_RNA) where: Base-Base interactions energy: -13.752 where: short stacking energy: -13.752 Base-Backbone interact. energy: 0.272 local terms energy: -26.798962 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -6.310 flat angles P-C4'-P energy: -3.720 tors. eta vs tors. theta energy: -1.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -45.149760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.149760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.149760 (E_RNA) where: Base-Base interactions energy: -19.061 where: short stacking energy: -18.936 Base-Backbone interact. energy: -0.001 local terms energy: -26.087368 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.232 flat angles P-C4'-P energy: -2.892 tors. eta vs tors. theta energy: -3.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -46.356587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.356587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.356587 (E_RNA) where: Base-Base interactions energy: -17.999 where: short stacking energy: -17.999 Base-Backbone interact. energy: -0.096 local terms energy: -28.261091 where: bonds (distance) C4'-P energy: -4.649 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -7.388 flat angles P-C4'-P energy: -5.133 tors. eta vs tors. theta energy: -2.226 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: 7 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -40.802876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.802876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.802876 (E_RNA) where: Base-Base interactions energy: -14.551 where: short stacking energy: -12.712 Base-Backbone interact. energy: 0.259 local terms energy: -26.510941 where: bonds (distance) C4'-P energy: -6.664 bonds (distance) P-C4' energy: -9.804 flat angles C4'-P-C4' energy: -6.291 flat angles P-C4'-P energy: -5.824 tors. eta vs tors. theta energy: 2.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -65.505628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.505628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.505628 (E_RNA) where: Base-Base interactions energy: -30.124 where: short stacking energy: -21.428 Base-Backbone interact. energy: -0.025 local terms energy: -35.357030 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -9.101 flat angles P-C4'-P energy: -5.031 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: 2, replica: 3 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -72.209220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.209220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.209220 (E_RNA) where: Base-Base interactions energy: -36.409 where: short stacking energy: -18.931 Base-Backbone interact. energy: -0.198 local terms energy: -35.602416 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -9.223 flat angles P-C4'-P energy: -6.193 tors. eta vs tors. theta energy: -4.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -61.999318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.999318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.999318 (E_RNA) where: Base-Base interactions energy: -26.451 where: short stacking energy: -26.451 Base-Backbone interact. energy: -0.001 local terms energy: -35.546891 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -8.179 flat angles C4'-P-C4' energy: -7.159 flat angles P-C4'-P energy: -6.442 tors. eta vs tors. theta energy: -6.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -52.522677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.522677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.522677 (E_RNA) where: Base-Base interactions energy: -25.351 where: short stacking energy: -17.873 Base-Backbone interact. energy: -0.134 local terms energy: -27.038397 where: bonds (distance) C4'-P energy: -6.068 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -8.383 flat angles P-C4'-P energy: -3.897 tors. eta vs tors. theta energy: -1.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -53.460347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.460347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.460347 (E_RNA) where: Base-Base interactions energy: -22.075 where: short stacking energy: -18.022 Base-Backbone interact. energy: -0.002 local terms energy: -31.383579 where: bonds (distance) C4'-P energy: -4.135 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.703 flat angles P-C4'-P energy: -5.392 tors. eta vs tors. theta energy: -4.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -48.147230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.147230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.147230 (E_RNA) where: Base-Base interactions energy: -15.952 where: short stacking energy: -10.167 Base-Backbone interact. energy: -0.012 local terms energy: -32.183191 where: bonds (distance) C4'-P energy: -6.947 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -9.178 flat angles P-C4'-P energy: -4.368 tors. eta vs tors. theta energy: -3.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -57.169786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.169786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.169786 (E_RNA) where: Base-Base interactions energy: -27.192 where: short stacking energy: -21.899 Base-Backbone interact. energy: -0.009 local terms energy: -29.968134 where: bonds (distance) C4'-P energy: -6.744 bonds (distance) P-C4' energy: -5.170 flat angles C4'-P-C4' energy: -7.226 flat angles P-C4'-P energy: -3.703 tors. eta vs tors. theta energy: -7.125 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: 9 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -46.305955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.305955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.305955 (E_RNA) where: Base-Base interactions energy: -17.103 where: short stacking energy: -17.103 Base-Backbone interact. energy: -0.069 local terms energy: -29.133119 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -8.038 flat angles P-C4'-P energy: -3.477 tors. eta vs tors. theta energy: -3.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -48.192769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.192769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.192769 (E_RNA) where: Base-Base interactions energy: -20.982 where: short stacking energy: -20.982 Base-Backbone interact. energy: -0.001 local terms energy: -27.209270 where: bonds (distance) C4'-P energy: -6.780 bonds (distance) P-C4' energy: -4.036 flat angles C4'-P-C4' energy: -7.235 flat angles P-C4'-P energy: -4.999 tors. eta vs tors. theta energy: -4.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -45.645290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.645290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.645290 (E_RNA) where: Base-Base interactions energy: -21.275 where: short stacking energy: -16.085 Base-Backbone interact. energy: -0.252 local terms energy: -24.118981 where: bonds (distance) C4'-P energy: -2.346 bonds (distance) P-C4' energy: -6.222 flat angles C4'-P-C4' energy: -7.325 flat angles P-C4'-P energy: -5.627 tors. eta vs tors. theta energy: -2.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -72.916696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.916696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.916696 (E_RNA) where: Base-Base interactions energy: -33.323 where: short stacking energy: -33.323 Base-Backbone interact. energy: -0.000 local terms energy: -39.593312 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -5.832 flat angles P-C4'-P energy: -6.478 tors. eta vs tors. theta energy: -11.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -58.153086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.153086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.153086 (E_RNA) where: Base-Base interactions energy: -23.454 where: short stacking energy: -21.467 Base-Backbone interact. energy: -0.080 local terms energy: -34.618391 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -5.650 flat angles P-C4'-P energy: -5.208 tors. eta vs tors. theta energy: -6.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -67.156116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.156116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.156116 (E_RNA) where: Base-Base interactions energy: -30.419 where: short stacking energy: -26.865 Base-Backbone interact. energy: -0.003 local terms energy: -36.734680 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -5.332 flat angles P-C4'-P energy: -5.129 tors. eta vs tors. theta energy: -10.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -56.385946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.385946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.385946 (E_RNA) where: Base-Base interactions energy: -24.846 where: short stacking energy: -24.846 Base-Backbone interact. energy: -0.000 local terms energy: -31.540091 where: bonds (distance) C4'-P energy: -7.447 bonds (distance) P-C4' energy: -4.691 flat angles C4'-P-C4' energy: -8.560 flat angles P-C4'-P energy: -5.299 tors. eta vs tors. theta energy: -5.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -49.894646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.894646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.894646 (E_RNA) where: Base-Base interactions energy: -18.559 where: short stacking energy: -18.559 Base-Backbone interact. energy: -0.019 local terms energy: -31.316934 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -5.321 flat angles C4'-P-C4' energy: -7.718 flat angles P-C4'-P energy: -5.378 tors. eta vs tors. theta energy: -5.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -51.272561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.272561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.272561 (E_RNA) where: Base-Base interactions energy: -19.943 where: short stacking energy: -19.943 Base-Backbone interact. energy: -0.000 local terms energy: -31.329674 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -6.167 flat angles P-C4'-P energy: -4.883 tors. eta vs tors. theta energy: -4.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -55.322782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.322782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.322782 (E_RNA) where: Base-Base interactions energy: -23.601 where: short stacking energy: -14.875 Base-Backbone interact. energy: -0.432 local terms energy: -31.289176 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -7.015 flat angles P-C4'-P energy: -5.719 tors. eta vs tors. theta energy: -2.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -47.488319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.488319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.488319 (E_RNA) where: Base-Base interactions energy: -24.189 where: short stacking energy: -15.970 Base-Backbone interact. energy: -0.009 local terms energy: -23.289638 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -4.172 flat angles C4'-P-C4' energy: -6.211 flat angles P-C4'-P energy: -5.782 tors. eta vs tors. theta energy: 0.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -42.058768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.058768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.058768 (E_RNA) where: Base-Base interactions energy: -19.319 where: short stacking energy: -8.917 Base-Backbone interact. energy: -0.190 local terms energy: -22.549964 where: bonds (distance) C4'-P energy: -5.203 bonds (distance) P-C4' energy: -5.765 flat angles C4'-P-C4' energy: -7.274 flat angles P-C4'-P energy: -5.596 tors. eta vs tors. theta energy: 1.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -40.567475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.567475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.567475 (E_RNA) where: Base-Base interactions energy: -13.642 where: short stacking energy: -13.642 Base-Backbone interact. energy: -0.009 local terms energy: -26.915965 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.625 flat angles C4'-P-C4' energy: -3.858 flat angles P-C4'-P energy: -4.448 tors. eta vs tors. theta energy: -2.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -71.650687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.650687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.650687 (E_RNA) where: Base-Base interactions energy: -31.455 where: short stacking energy: -31.455 Base-Backbone interact. energy: 0.136 local terms energy: -40.331575 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -8.395 flat angles P-C4'-P energy: -5.333 tors. eta vs tors. theta energy: -10.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -54.284846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.284846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.284846 (E_RNA) where: Base-Base interactions energy: -20.955 where: short stacking energy: -15.884 Base-Backbone interact. energy: -0.088 local terms energy: -33.242240 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.826 flat angles P-C4'-P energy: -5.904 tors. eta vs tors. theta energy: -2.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -64.473374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.473374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.473374 (E_RNA) where: Base-Base interactions energy: -38.518 where: short stacking energy: -18.271 Base-Backbone interact. energy: 0.536 local terms energy: -26.490517 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -8.778 flat angles C4'-P-C4' energy: -7.071 flat angles P-C4'-P energy: -4.233 tors. eta vs tors. theta energy: -0.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -52.836785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.836785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.836785 (E_RNA) where: Base-Base interactions energy: -21.535 where: short stacking energy: -20.018 Base-Backbone interact. energy: -0.013 local terms energy: -31.288974 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -8.179 flat angles P-C4'-P energy: -3.745 tors. eta vs tors. theta energy: -3.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -55.624305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.624305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.624305 (E_RNA) where: Base-Base interactions energy: -26.188 where: short stacking energy: -25.091 Base-Backbone interact. energy: -0.010 local terms energy: -29.425880 where: bonds (distance) C4'-P energy: -7.336 bonds (distance) P-C4' energy: -4.085 flat angles C4'-P-C4' energy: -6.460 flat angles P-C4'-P energy: -5.030 tors. eta vs tors. theta energy: -6.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -47.891435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.891435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.891435 (E_RNA) where: Base-Base interactions energy: -17.586 where: short stacking energy: -17.586 Base-Backbone interact. energy: -0.000 local terms energy: -30.305524 where: bonds (distance) C4'-P energy: -5.353 bonds (distance) P-C4' energy: -7.549 flat angles C4'-P-C4' energy: -7.496 flat angles P-C4'-P energy: -5.775 tors. eta vs tors. theta energy: -4.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -56.858295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.858295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.858295 (E_RNA) where: Base-Base interactions energy: -27.422 where: short stacking energy: -27.422 Base-Backbone interact. energy: -0.000 local terms energy: -29.435932 where: bonds (distance) C4'-P energy: -5.783 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -4.035 flat angles P-C4'-P energy: -4.593 tors. eta vs tors. theta energy: -6.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -44.730569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.730569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.730569 (E_RNA) where: Base-Base interactions energy: -18.795 where: short stacking energy: -18.795 Base-Backbone interact. energy: -0.000 local terms energy: -25.934942 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -6.713 flat angles C4'-P-C4' energy: -6.926 flat angles P-C4'-P energy: -3.079 tors. eta vs tors. theta energy: -2.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -45.639623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.639623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.639623 (E_RNA) where: Base-Base interactions energy: -20.631 where: short stacking energy: -13.822 Base-Backbone interact. energy: -0.031 local terms energy: -24.978333 where: bonds (distance) C4'-P energy: -4.408 bonds (distance) P-C4' energy: -6.762 flat angles C4'-P-C4' energy: -5.826 flat angles P-C4'-P energy: -3.985 tors. eta vs tors. theta energy: -3.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -41.035196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.035196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.035196 (E_RNA) where: Base-Base interactions energy: -17.911 where: short stacking energy: -17.270 Base-Backbone interact. energy: -0.003 local terms energy: -23.121577 where: bonds (distance) C4'-P energy: -1.800 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -6.422 flat angles P-C4'-P energy: -6.853 tors. eta vs tors. theta energy: -1.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -50.216908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.216908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.216908 (E_RNA) where: Base-Base interactions energy: -15.675 where: short stacking energy: -15.215 Base-Backbone interact. energy: -1.049 local terms energy: -33.492647 where: bonds (distance) C4'-P energy: -7.555 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -7.376 flat angles P-C4'-P energy: -6.758 tors. eta vs tors. theta energy: -2.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -62.731463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.731463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.731463 (E_RNA) where: Base-Base interactions energy: -32.389 where: short stacking energy: -24.415 Base-Backbone interact. energy: -0.003 local terms energy: -30.339640 where: bonds (distance) C4'-P energy: -7.736 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -5.634 flat angles P-C4'-P energy: -2.398 tors. eta vs tors. theta energy: -4.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -71.168162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.168162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.168162 (E_RNA) where: Base-Base interactions energy: -37.702 where: short stacking energy: -17.603 Base-Backbone interact. energy: -0.000 local terms energy: -33.466025 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -8.273 flat angles P-C4'-P energy: -5.200 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: 4, replica: 10 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -56.082140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.082140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.082140 (E_RNA) where: Base-Base interactions energy: -24.838 where: short stacking energy: -24.838 Base-Backbone interact. energy: -0.000 local terms energy: -31.243428 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -6.576 flat angles C4'-P-C4' energy: -5.757 flat angles P-C4'-P energy: -5.491 tors. eta vs tors. theta energy: -6.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -49.630507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.630507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.630507 (E_RNA) where: Base-Base interactions energy: -20.075 where: short stacking energy: -20.075 Base-Backbone interact. energy: -0.009 local terms energy: -29.546694 where: bonds (distance) C4'-P energy: -7.655 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -0.837 flat angles P-C4'-P energy: -4.569 tors. eta vs tors. theta energy: -7.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -47.893125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.893125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.893125 (E_RNA) where: Base-Base interactions energy: -18.033 where: short stacking energy: -18.033 Base-Backbone interact. energy: -0.097 local terms energy: -29.763046 where: bonds (distance) C4'-P energy: -4.364 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -6.136 flat angles P-C4'-P energy: -5.585 tors. eta vs tors. theta energy: -5.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -47.284006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.284006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.284006 (E_RNA) where: Base-Base interactions energy: -17.858 where: short stacking energy: -17.613 Base-Backbone interact. energy: -0.002 local terms energy: -29.423612 where: bonds (distance) C4'-P energy: -7.037 bonds (distance) P-C4' energy: -5.166 flat angles C4'-P-C4' energy: -8.538 flat angles P-C4'-P energy: -4.967 tors. eta vs tors. theta energy: -3.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -46.182018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.182018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.182018 (E_RNA) where: Base-Base interactions energy: -16.926 where: short stacking energy: -16.926 Base-Backbone interact. energy: -0.000 local terms energy: -29.255365 where: bonds (distance) C4'-P energy: -6.379 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -8.060 flat angles P-C4'-P energy: -4.086 tors. eta vs tors. theta energy: -2.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -46.435698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.435698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.435698 (E_RNA) where: Base-Base interactions energy: -26.847 where: short stacking energy: -21.953 Base-Backbone interact. energy: -0.059 local terms energy: -19.530101 where: bonds (distance) C4'-P energy: -2.493 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -6.023 flat angles P-C4'-P energy: 0.450 tors. eta vs tors. theta energy: -4.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -40.599331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.599331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.599331 (E_RNA) where: Base-Base interactions energy: -14.509 where: short stacking energy: -9.301 Base-Backbone interact. energy: -0.131 local terms energy: -25.959087 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -5.772 flat angles C4'-P-C4' energy: -4.403 flat angles P-C4'-P energy: -4.464 tors. eta vs tors. theta energy: -2.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -72.277694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.277694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.277694 (E_RNA) where: Base-Base interactions energy: -38.412 where: short stacking energy: -26.178 Base-Backbone interact. energy: -0.005 local terms energy: -33.860397 where: bonds (distance) C4'-P energy: -7.399 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -8.078 flat angles P-C4'-P energy: -5.314 tors. eta vs tors. theta energy: -5.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -62.312966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.312966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.312966 (E_RNA) where: Base-Base interactions energy: -28.208 where: short stacking energy: -24.049 Base-Backbone interact. energy: -0.925 local terms energy: -33.179632 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -5.933 flat angles C4'-P-C4' energy: -7.832 flat angles P-C4'-P energy: -4.848 tors. eta vs tors. theta energy: -6.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -62.960308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.960308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.960308 (E_RNA) where: Base-Base interactions energy: -31.251 where: short stacking energy: -24.617 Base-Backbone interact. energy: -0.014 local terms energy: -31.695539 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: -6.522 tors. eta vs tors. theta energy: -2.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -50.668452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.668452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.668452 (E_RNA) where: Base-Base interactions energy: -21.407 where: short stacking energy: -21.407 Base-Backbone interact. energy: -0.000 local terms energy: -29.261586 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -7.699 flat angles P-C4'-P energy: -2.816 tors. eta vs tors. theta energy: -4.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -49.455915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.455915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.455915 (E_RNA) where: Base-Base interactions energy: -17.542 where: short stacking energy: -13.142 Base-Backbone interact. energy: -0.186 local terms energy: -31.728506 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -8.324 flat angles P-C4'-P energy: -5.165 tors. eta vs tors. theta energy: -2.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -42.529283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.529283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.529283 (E_RNA) where: Base-Base interactions energy: -13.150 where: short stacking energy: -12.192 Base-Backbone interact. energy: -0.052 local terms energy: -29.328052 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -7.199 flat angles P-C4'-P energy: -4.924 tors. eta vs tors. theta energy: -1.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -49.505424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.505424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.505424 (E_RNA) where: Base-Base interactions energy: -20.633 where: short stacking energy: -12.637 Base-Backbone interact. energy: -0.013 local terms energy: -28.858801 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -7.021 flat angles P-C4'-P energy: -2.786 tors. eta vs tors. theta energy: -2.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -48.225654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.225654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.225654 (E_RNA) where: Base-Base interactions energy: -20.355 where: short stacking energy: -18.544 Base-Backbone interact. energy: 1.454 local terms energy: -29.324849 where: bonds (distance) C4'-P energy: -6.342 bonds (distance) P-C4' energy: -5.622 flat angles C4'-P-C4' energy: -5.567 flat angles P-C4'-P energy: -7.491 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: 9, replica: 1 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -50.664452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.664452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.664452 (E_RNA) where: Base-Base interactions energy: -22.119 where: short stacking energy: -22.119 Base-Backbone interact. energy: -0.014 local terms energy: -28.531321 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -5.914 flat angles P-C4'-P energy: -0.962 tors. eta vs tors. theta energy: -8.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -38.432959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.432959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.432959 (E_RNA) where: Base-Base interactions energy: -11.896 where: short stacking energy: -11.896 Base-Backbone interact. energy: -0.005 local terms energy: -26.531944 where: bonds (distance) C4'-P energy: -6.852 bonds (distance) P-C4' energy: -4.862 flat angles C4'-P-C4' energy: -7.629 flat angles P-C4'-P energy: -4.896 tors. eta vs tors. theta energy: -2.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -82.458345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.458345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.458345 (E_RNA) where: Base-Base interactions energy: -44.644 where: short stacking energy: -29.298 Base-Backbone interact. energy: -0.001 local terms energy: -37.813730 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -8.537 flat angles P-C4'-P energy: -2.615 tors. eta vs tors. theta energy: -9.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -69.163005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.163005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.163005 (E_RNA) where: Base-Base interactions energy: -29.522 where: short stacking energy: -29.522 Base-Backbone interact. energy: -0.000 local terms energy: -39.640656 where: bonds (distance) C4'-P energy: -8.851 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -7.754 flat angles P-C4'-P energy: -5.322 tors. eta vs tors. theta energy: -8.594 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: 416 Temperature: 1.000000 Total energy: -65.406937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.406937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.406937 (E_RNA) where: Base-Base interactions energy: -28.830 where: short stacking energy: -28.830 Base-Backbone interact. energy: -0.100 local terms energy: -36.477466 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -7.206 flat angles C4'-P-C4' energy: -8.562 flat angles P-C4'-P energy: -4.781 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: 4, replica: 6 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -55.999729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.999729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.999729 (E_RNA) where: Base-Base interactions energy: -23.508 where: short stacking energy: -23.508 Base-Backbone interact. energy: -0.021 local terms energy: -32.471077 where: bonds (distance) C4'-P energy: -6.176 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -6.634 flat angles P-C4'-P energy: -6.464 tors. eta vs tors. theta energy: -5.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -57.113104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.113104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.113104 (E_RNA) where: Base-Base interactions energy: -22.833 where: short stacking energy: -22.833 Base-Backbone interact. energy: -0.000 local terms energy: -34.279811 where: bonds (distance) C4'-P energy: -7.340 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -7.495 flat angles P-C4'-P energy: -5.916 tors. eta vs tors. theta energy: -4.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -54.729013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.729013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.729013 (E_RNA) where: Base-Base interactions energy: -21.577 where: short stacking energy: -21.577 Base-Backbone interact. energy: -0.024 local terms energy: -33.128254 where: bonds (distance) C4'-P energy: -6.710 bonds (distance) P-C4' energy: -6.585 flat angles C4'-P-C4' energy: -7.047 flat angles P-C4'-P energy: -7.030 tors. eta vs tors. theta energy: -5.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -49.792931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.792931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.792931 (E_RNA) where: Base-Base interactions energy: -16.095 where: short stacking energy: -16.095 Base-Backbone interact. energy: -0.068 local terms energy: -33.630094 where: bonds (distance) C4'-P energy: -7.840 bonds (distance) P-C4' energy: -7.702 flat angles C4'-P-C4' energy: -9.273 flat angles P-C4'-P energy: -4.295 tors. eta vs tors. theta energy: -4.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -53.585463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.585463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.585463 (E_RNA) where: Base-Base interactions energy: -26.975 where: short stacking energy: -19.604 Base-Backbone interact. energy: -0.001 local terms energy: -26.609189 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -5.009 flat angles P-C4'-P energy: -2.031 tors. eta vs tors. theta energy: -5.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -41.519158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.519158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.519158 (E_RNA) where: Base-Base interactions energy: -19.831 where: short stacking energy: -19.163 Base-Backbone interact. energy: -0.108 local terms energy: -21.580079 where: bonds (distance) C4'-P energy: -5.986 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -4.012 flat angles P-C4'-P energy: 0.736 tors. eta vs tors. theta energy: -3.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -40.346394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.346394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.346394 (E_RNA) where: Base-Base interactions energy: -10.501 where: short stacking energy: -10.501 Base-Backbone interact. energy: -0.007 local terms energy: -29.837632 where: bonds (distance) C4'-P energy: -7.198 bonds (distance) P-C4' energy: -8.798 flat angles C4'-P-C4' energy: -7.051 flat angles P-C4'-P energy: -3.977 tors. eta vs tors. theta energy: -2.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -68.676793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.676793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.676793 (E_RNA) where: Base-Base interactions energy: -31.505 where: short stacking energy: -31.505 Base-Backbone interact. energy: -0.004 local terms energy: -37.167962 where: bonds (distance) C4'-P energy: -6.645 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.751 flat angles P-C4'-P energy: -6.128 tors. eta vs tors. theta energy: -8.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -69.369177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.369177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.369177 (E_RNA) where: Base-Base interactions energy: -32.663 where: short stacking energy: -32.663 Base-Backbone interact. energy: -0.000 local terms energy: -36.706181 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -5.923 flat angles C4'-P-C4' energy: -8.909 flat angles P-C4'-P energy: -5.889 tors. eta vs tors. theta energy: -8.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -56.831791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.831791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.831791 (E_RNA) where: Base-Base interactions energy: -21.246 where: short stacking energy: -21.246 Base-Backbone interact. energy: -0.253 local terms energy: -35.332033 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.486 flat angles P-C4'-P energy: -6.361 tors. eta vs tors. theta energy: -4.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -52.600677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.600677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.600677 (E_RNA) where: Base-Base interactions energy: -19.841 where: short stacking energy: -19.841 Base-Backbone interact. energy: -0.001 local terms energy: -32.759055 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -7.796 flat angles C4'-P-C4' energy: -7.362 flat angles P-C4'-P energy: -5.743 tors. eta vs tors. theta energy: -4.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -57.813664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.813664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.813664 (E_RNA) where: Base-Base interactions energy: -23.805 where: short stacking energy: -20.166 Base-Backbone interact. energy: -0.001 local terms energy: -34.007778 where: bonds (distance) C4'-P energy: -6.963 bonds (distance) P-C4' energy: -8.837 flat angles C4'-P-C4' energy: -4.980 flat angles P-C4'-P energy: -5.315 tors. eta vs tors. theta energy: -7.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -48.064618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.064618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.064618 (E_RNA) where: Base-Base interactions energy: -18.548 where: short stacking energy: -18.548 Base-Backbone interact. energy: -0.070 local terms energy: -29.446085 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -5.597 flat angles P-C4'-P energy: -7.064 tors. eta vs tors. theta energy: -0.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -48.246721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.246721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.246721 (E_RNA) where: Base-Base interactions energy: -16.745 where: short stacking energy: -16.745 Base-Backbone interact. energy: -0.018 local terms energy: -31.483140 where: bonds (distance) C4'-P energy: -6.834 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.647 flat angles P-C4'-P energy: -5.749 tors. eta vs tors. theta energy: -2.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -39.891603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.891603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.891603 (E_RNA) where: Base-Base interactions energy: -12.372 where: short stacking energy: -12.372 Base-Backbone interact. energy: -0.071 local terms energy: -27.447924 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -6.735 flat angles P-C4'-P energy: -0.708 tors. eta vs tors. theta energy: -3.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -45.148594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.148594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.148594 (E_RNA) where: Base-Base interactions energy: -16.243 where: short stacking energy: -14.473 Base-Backbone interact. energy: -0.000 local terms energy: -28.905606 where: bonds (distance) C4'-P energy: -7.547 bonds (distance) P-C4' energy: -8.796 flat angles C4'-P-C4' energy: -4.392 flat angles P-C4'-P energy: -3.779 tors. eta vs tors. theta energy: -4.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -50.994168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.994168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.994168 (E_RNA) where: Base-Base interactions energy: -22.555 where: short stacking energy: -22.555 Base-Backbone interact. energy: -0.003 local terms energy: -28.436231 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -7.018 flat angles P-C4'-P energy: -3.003 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: 1, replica: 5 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -65.135768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.135768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.135768 (E_RNA) where: Base-Base interactions energy: -34.880 where: short stacking energy: -21.016 Base-Backbone interact. energy: 1.039 local terms energy: -31.294422 where: bonds (distance) C4'-P energy: -6.868 bonds (distance) P-C4' energy: -7.020 flat angles C4'-P-C4' energy: -8.692 flat angles P-C4'-P energy: -4.870 tors. eta vs tors. theta energy: -3.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -68.492815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.492815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.492815 (E_RNA) where: Base-Base interactions energy: -28.161 where: short stacking energy: -28.161 Base-Backbone interact. energy: -0.000 local terms energy: -40.331355 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -7.469 flat angles P-C4'-P energy: -6.786 tors. eta vs tors. theta energy: -9.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -54.081305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.081305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.081305 (E_RNA) where: Base-Base interactions energy: -22.734 where: short stacking energy: -22.734 Base-Backbone interact. energy: -0.001 local terms energy: -31.346603 where: bonds (distance) C4'-P energy: -5.377 bonds (distance) P-C4' energy: -6.659 flat angles C4'-P-C4' energy: -4.532 flat angles P-C4'-P energy: -4.453 tors. eta vs tors. theta energy: -10.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -55.223844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.223844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.223844 (E_RNA) where: Base-Base interactions energy: -26.983 where: short stacking energy: -22.758 Base-Backbone interact. energy: -0.082 local terms energy: -28.159185 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.335 flat angles P-C4'-P energy: -0.811 tors. eta vs tors. theta energy: -5.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -47.227609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.227609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.227609 (E_RNA) where: Base-Base interactions energy: -18.368 where: short stacking energy: -18.368 Base-Backbone interact. energy: -0.026 local terms energy: -28.833710 where: bonds (distance) C4'-P energy: -5.410 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.215 flat angles P-C4'-P energy: -3.792 tors. eta vs tors. theta energy: -3.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -57.440260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.440260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.440260 (E_RNA) where: Base-Base interactions energy: -27.086 where: short stacking energy: -18.410 Base-Backbone interact. energy: -0.021 local terms energy: -30.333692 where: bonds (distance) C4'-P energy: -4.802 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -7.051 flat angles P-C4'-P energy: -6.201 tors. eta vs tors. theta energy: -3.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -42.774067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.774067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.774067 (E_RNA) where: Base-Base interactions energy: -13.839 where: short stacking energy: -13.839 Base-Backbone interact. energy: -0.236 local terms energy: -28.699510 where: bonds (distance) C4'-P energy: -8.727 bonds (distance) P-C4' energy: -3.470 flat angles C4'-P-C4' energy: -6.921 flat angles P-C4'-P energy: -4.866 tors. eta vs tors. theta energy: -4.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -47.338462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.338462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.338462 (E_RNA) where: Base-Base interactions energy: -13.822 where: short stacking energy: -13.822 Base-Backbone interact. energy: -0.033 local terms energy: -33.483807 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -7.082 flat angles C4'-P-C4' energy: -7.115 flat angles P-C4'-P energy: -6.913 tors. eta vs tors. theta energy: -5.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -46.839718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.839718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.839718 (E_RNA) where: Base-Base interactions energy: -17.969 where: short stacking energy: -17.969 Base-Backbone interact. energy: -0.106 local terms energy: -28.764218 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -6.341 flat angles P-C4'-P energy: -4.873 tors. eta vs tors. theta energy: -1.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -41.975599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.975599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.975599 (E_RNA) where: Base-Base interactions energy: -13.626 where: short stacking energy: -10.717 Base-Backbone interact. energy: -0.416 local terms energy: -27.933957 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -8.611 flat angles P-C4'-P energy: -1.422 tors. eta vs tors. theta energy: -2.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -67.193447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.193447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.193447 (E_RNA) where: Base-Base interactions energy: -27.802 where: short stacking energy: -27.802 Base-Backbone interact. energy: -0.066 local terms energy: -39.325449 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -8.918 flat angles P-C4'-P energy: -3.801 tors. eta vs tors. theta energy: -9.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -70.908080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.908080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.908080 (E_RNA) where: Base-Base interactions energy: -36.661 where: short stacking energy: -26.756 Base-Backbone interact. energy: -0.001 local terms energy: -34.246410 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -8.351 flat angles C4'-P-C4' energy: -8.194 flat angles P-C4'-P energy: -5.038 tors. eta vs tors. theta energy: -6.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -60.738499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.738499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.738499 (E_RNA) where: Base-Base interactions energy: -26.245 where: short stacking energy: -26.245 Base-Backbone interact. energy: -0.000 local terms energy: -34.493173 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -6.519 flat angles P-C4'-P energy: -4.642 tors. eta vs tors. theta energy: -5.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -51.016644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.016644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.016644 (E_RNA) where: Base-Base interactions energy: -17.106 where: short stacking energy: -17.106 Base-Backbone interact. energy: -0.004 local terms energy: -33.907000 where: bonds (distance) C4'-P energy: -6.906 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -8.355 flat angles P-C4'-P energy: -6.374 tors. eta vs tors. theta energy: -3.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -54.432630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.432630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.432630 (E_RNA) where: Base-Base interactions energy: -18.636 where: short stacking energy: -18.636 Base-Backbone interact. energy: -0.088 local terms energy: -35.708725 where: bonds (distance) C4'-P energy: -7.283 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -7.005 flat angles P-C4'-P energy: -6.630 tors. eta vs tors. theta energy: -4.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -49.716460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.716460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.716460 (E_RNA) where: Base-Base interactions energy: -18.854 where: short stacking energy: -18.854 Base-Backbone interact. energy: -0.132 local terms energy: -30.730616 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.798 flat angles C4'-P-C4' energy: -7.540 flat angles P-C4'-P energy: -7.183 tors. eta vs tors. theta energy: 0.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -49.960825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.960825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.960825 (E_RNA) where: Base-Base interactions energy: -20.191 where: short stacking energy: -20.044 Base-Backbone interact. energy: -0.071 local terms energy: -29.699191 where: bonds (distance) C4'-P energy: -6.069 bonds (distance) P-C4' energy: -5.219 flat angles C4'-P-C4' energy: -7.865 flat angles P-C4'-P energy: -5.187 tors. eta vs tors. theta energy: -5.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -43.265425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.265425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.265425 (E_RNA) where: Base-Base interactions energy: -15.439 where: short stacking energy: -14.912 Base-Backbone interact. energy: -0.018 local terms energy: -27.808159 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -7.140 flat angles P-C4'-P energy: -6.325 tors. eta vs tors. theta energy: -1.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -39.738453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.738453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.738453 (E_RNA) where: Base-Base interactions energy: -13.572 where: short stacking energy: -13.572 Base-Backbone interact. energy: -0.002 local terms energy: -26.164225 where: bonds (distance) C4'-P energy: -3.792 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.159 flat angles P-C4'-P energy: -3.169 tors. eta vs tors. theta energy: -2.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -48.666934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.666934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.666934 (E_RNA) where: Base-Base interactions energy: -23.168 where: short stacking energy: -21.542 Base-Backbone interact. energy: -0.153 local terms energy: -25.345501 where: bonds (distance) C4'-P energy: -4.256 bonds (distance) P-C4' energy: -7.646 flat angles C4'-P-C4' energy: -4.992 flat angles P-C4'-P energy: -4.925 tors. eta vs tors. theta energy: -3.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -71.572387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.572387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.572387 (E_RNA) where: Base-Base interactions energy: -32.736 where: short stacking energy: -32.736 Base-Backbone interact. energy: -0.000 local terms energy: -38.836672 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -9.073 flat angles P-C4'-P energy: -5.792 tors. eta vs tors. theta energy: -7.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -68.173026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.173026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.173026 (E_RNA) where: Base-Base interactions energy: -30.379 where: short stacking energy: -30.379 Base-Backbone interact. energy: -0.003 local terms energy: -37.790743 where: bonds (distance) C4'-P energy: -7.278 bonds (distance) P-C4' energy: -7.938 flat angles C4'-P-C4' energy: -7.346 flat angles P-C4'-P energy: -6.563 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: 3, replica: 10 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -49.503717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.503717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.503717 (E_RNA) where: Base-Base interactions energy: -20.641 where: short stacking energy: -18.968 Base-Backbone interact. energy: -0.042 local terms energy: -28.820544 where: bonds (distance) C4'-P energy: -5.067 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.764 flat angles P-C4'-P energy: -3.973 tors. eta vs tors. theta energy: -2.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -51.152336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.152336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.152336 (E_RNA) where: Base-Base interactions energy: -18.554 where: short stacking energy: -18.276 Base-Backbone interact. energy: -0.001 local terms energy: -32.597183 where: bonds (distance) C4'-P energy: -8.118 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -8.890 flat angles P-C4'-P energy: -7.139 tors. eta vs tors. theta energy: -0.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -48.703738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.703738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.703738 (E_RNA) where: Base-Base interactions energy: -15.939 where: short stacking energy: -15.939 Base-Backbone interact. energy: -0.225 local terms energy: -32.539923 where: bonds (distance) C4'-P energy: -6.284 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.447 flat angles P-C4'-P energy: -7.120 tors. eta vs tors. theta energy: -3.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -56.684073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.684073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.684073 (E_RNA) where: Base-Base interactions energy: -21.931 where: short stacking energy: -21.931 Base-Backbone interact. energy: -0.262 local terms energy: -34.490981 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -7.198 flat angles P-C4'-P energy: -5.560 tors. eta vs tors. theta energy: -6.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -46.844698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.844698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.844698 (E_RNA) where: Base-Base interactions energy: -20.422 where: short stacking energy: -17.209 Base-Backbone interact. energy: -0.034 local terms energy: -26.389126 where: bonds (distance) C4'-P energy: -3.397 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -7.796 flat angles P-C4'-P energy: -6.847 tors. eta vs tors. theta energy: -0.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -46.957698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.957698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.957698 (E_RNA) where: Base-Base interactions energy: -22.069 where: short stacking energy: -22.069 Base-Backbone interact. energy: -0.013 local terms energy: -24.876418 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -5.139 flat angles C4'-P-C4' energy: -6.462 flat angles P-C4'-P energy: -1.863 tors. eta vs tors. theta energy: -3.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -47.307030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.307030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.307030 (E_RNA) where: Base-Base interactions energy: -18.462 where: short stacking energy: -18.462 Base-Backbone interact. energy: -0.025 local terms energy: -28.819863 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -6.163 flat angles P-C4'-P energy: -3.774 tors. eta vs tors. theta energy: -3.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -42.026476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.026476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.026476 (E_RNA) where: Base-Base interactions energy: -10.893 where: short stacking energy: -10.893 Base-Backbone interact. energy: -0.309 local terms energy: -30.824072 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -6.155 flat angles C4'-P-C4' energy: -7.834 flat angles P-C4'-P energy: -3.942 tors. eta vs tors. theta energy: -5.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -68.760932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.760932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.760932 (E_RNA) where: Base-Base interactions energy: -34.110 where: short stacking energy: -34.110 Base-Backbone interact. energy: -0.000 local terms energy: -34.650677 where: bonds (distance) C4'-P energy: -4.922 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -7.299 flat angles P-C4'-P energy: -1.420 tors. eta vs tors. theta energy: -11.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -62.649724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.649724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.649724 (E_RNA) where: Base-Base interactions energy: -27.695 where: short stacking energy: -27.695 Base-Backbone interact. energy: -0.003 local terms energy: -34.951606 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -7.876 flat angles P-C4'-P energy: -4.451 tors. eta vs tors. theta energy: -6.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -55.694555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.694555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.694555 (E_RNA) where: Base-Base interactions energy: -23.059 where: short stacking energy: -23.059 Base-Backbone interact. energy: -0.005 local terms energy: -32.631025 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -6.817 flat angles P-C4'-P energy: -5.875 tors. eta vs tors. theta energy: -3.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -65.865884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.865884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.865884 (E_RNA) where: Base-Base interactions energy: -28.251 where: short stacking energy: -28.251 Base-Backbone interact. energy: -0.000 local terms energy: -37.615078 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.745 flat angles P-C4'-P energy: -4.328 tors. eta vs tors. theta energy: -8.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -49.400691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.400691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.400691 (E_RNA) where: Base-Base interactions energy: -24.148 where: short stacking energy: -10.544 Base-Backbone interact. energy: -0.223 local terms energy: -25.030221 where: bonds (distance) C4'-P energy: -4.632 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -6.284 flat angles P-C4'-P energy: -3.295 tors. eta vs tors. theta energy: -1.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -53.280468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.280468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.280468 (E_RNA) where: Base-Base interactions energy: -20.538 where: short stacking energy: -12.381 Base-Backbone interact. energy: -0.027 local terms energy: -32.715323 where: bonds (distance) C4'-P energy: -7.571 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -8.361 flat angles P-C4'-P energy: -4.661 tors. eta vs tors. theta energy: -4.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -45.966066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.966066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.966066 (E_RNA) where: Base-Base interactions energy: -13.980 where: short stacking energy: -13.980 Base-Backbone interact. energy: -0.021 local terms energy: -31.965652 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.224 flat angles P-C4'-P energy: -5.657 tors. eta vs tors. theta energy: -2.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -44.965032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.965032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.965032 (E_RNA) where: Base-Base interactions energy: -19.381 where: short stacking energy: -15.946 Base-Backbone interact. energy: -0.000 local terms energy: -25.584195 where: bonds (distance) C4'-P energy: -5.932 bonds (distance) P-C4' energy: -8.840 flat angles C4'-P-C4' energy: -5.841 flat angles P-C4'-P energy: -5.005 tors. eta vs tors. theta energy: 0.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -40.796714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.796714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.796714 (E_RNA) where: Base-Base interactions energy: -12.504 where: short stacking energy: -12.504 Base-Backbone interact. energy: 0.009 local terms energy: -28.301033 where: bonds (distance) C4'-P energy: -7.315 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.084 flat angles P-C4'-P energy: -6.145 tors. eta vs tors. theta energy: -1.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -38.893716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.893716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.893716 (E_RNA) where: Base-Base interactions energy: -7.983 where: short stacking energy: -7.983 Base-Backbone interact. energy: -0.001 local terms energy: -30.909546 where: bonds (distance) C4'-P energy: -6.752 bonds (distance) P-C4' energy: -8.097 flat angles C4'-P-C4' energy: -8.956 flat angles P-C4'-P energy: -4.478 tors. eta vs tors. theta energy: -2.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -71.003035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.003035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.003035 (E_RNA) where: Base-Base interactions energy: -35.553 where: short stacking energy: -31.880 Base-Backbone interact. energy: -0.113 local terms energy: -35.336738 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -5.747 flat angles C4'-P-C4' energy: -8.232 flat angles P-C4'-P energy: -6.090 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: 2, replica: 3 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -52.345950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.345950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.345950 (E_RNA) where: Base-Base interactions energy: -20.671 where: short stacking energy: -20.671 Base-Backbone interact. energy: -0.002 local terms energy: -31.672954 where: bonds (distance) C4'-P energy: -5.547 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.067 flat angles P-C4'-P energy: -6.392 tors. eta vs tors. theta energy: -2.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -64.407261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.407261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.407261 (E_RNA) where: Base-Base interactions energy: -29.289 where: short stacking energy: -27.017 Base-Backbone interact. energy: -0.003 local terms energy: -35.115342 where: bonds (distance) C4'-P energy: -6.577 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -7.575 flat angles P-C4'-P energy: -6.055 tors. eta vs tors. theta energy: -6.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -51.431822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.431822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.431822 (E_RNA) where: Base-Base interactions energy: -20.532 where: short stacking energy: -19.213 Base-Backbone interact. energy: -0.004 local terms energy: -30.895471 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -6.895 flat angles C4'-P-C4' energy: -5.485 flat angles P-C4'-P energy: -6.833 tors. eta vs tors. theta energy: -3.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -54.423190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.423190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.423190 (E_RNA) where: Base-Base interactions energy: -30.397 where: short stacking energy: -14.420 Base-Backbone interact. energy: -0.098 local terms energy: -23.928325 where: bonds (distance) C4'-P energy: -7.290 bonds (distance) P-C4' energy: -6.383 flat angles C4'-P-C4' energy: -4.547 flat angles P-C4'-P energy: -4.781 tors. eta vs tors. theta energy: -0.926 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: 2 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -49.816475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.816475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.816475 (E_RNA) where: Base-Base interactions energy: -24.206 where: short stacking energy: -16.082 Base-Backbone interact. energy: -0.239 local terms energy: -25.371800 where: bonds (distance) C4'-P energy: -3.771 bonds (distance) P-C4' energy: -3.820 flat angles C4'-P-C4' energy: -7.291 flat angles P-C4'-P energy: -5.474 tors. eta vs tors. theta energy: -5.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -58.725841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.725841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.725841 (E_RNA) where: Base-Base interactions energy: -29.996 where: short stacking energy: -19.949 Base-Backbone interact. energy: -0.193 local terms energy: -28.537099 where: bonds (distance) C4'-P energy: -7.613 bonds (distance) P-C4' energy: -6.914 flat angles C4'-P-C4' energy: -6.410 flat angles P-C4'-P energy: -5.041 tors. eta vs tors. theta energy: -2.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -48.041693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.041693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.041693 (E_RNA) where: Base-Base interactions energy: -21.157 where: short stacking energy: -15.028 Base-Backbone interact. energy: -0.056 local terms energy: -26.828760 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -4.340 flat angles C4'-P-C4' energy: -7.939 flat angles P-C4'-P energy: -1.671 tors. eta vs tors. theta energy: -4.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -49.061907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.061907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.061907 (E_RNA) where: Base-Base interactions energy: -17.726 where: short stacking energy: -17.726 Base-Backbone interact. energy: -0.000 local terms energy: -31.336047 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -5.445 flat angles P-C4'-P energy: -2.467 tors. eta vs tors. theta energy: -7.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -41.024744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.024744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.024744 (E_RNA) where: Base-Base interactions energy: -11.086 where: short stacking energy: -10.651 Base-Backbone interact. energy: -0.052 local terms energy: -29.886237 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -7.739 flat angles C4'-P-C4' energy: -5.864 flat angles P-C4'-P energy: -3.370 tors. eta vs tors. theta energy: -4.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -72.215347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.215347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.215347 (E_RNA) where: Base-Base interactions energy: -35.459 where: short stacking energy: -23.452 Base-Backbone interact. energy: -0.002 local terms energy: -36.753975 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.037 flat angles P-C4'-P energy: -3.561 tors. eta vs tors. theta energy: -7.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -75.044477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.044477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.044477 (E_RNA) where: Base-Base interactions energy: -39.763 where: short stacking energy: -26.765 Base-Backbone interact. energy: -0.189 local terms energy: -35.092128 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.288 flat angles P-C4'-P energy: -4.221 tors. eta vs tors. theta energy: -5.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -60.809069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.809069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.809069 (E_RNA) where: Base-Base interactions energy: -26.203 where: short stacking energy: -22.224 Base-Backbone interact. energy: -0.052 local terms energy: -34.554354 where: bonds (distance) C4'-P energy: -6.607 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -8.039 flat angles P-C4'-P energy: -6.084 tors. eta vs tors. theta energy: -5.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -58.564553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.564553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.564553 (E_RNA) where: Base-Base interactions energy: -25.034 where: short stacking energy: -25.034 Base-Backbone interact. energy: -0.002 local terms energy: -33.528691 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -6.832 flat angles P-C4'-P energy: -4.496 tors. eta vs tors. theta energy: -5.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -50.162098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.162098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.162098 (E_RNA) where: Base-Base interactions energy: -23.488 where: short stacking energy: -21.451 Base-Backbone interact. energy: -0.342 local terms energy: -26.332011 where: bonds (distance) C4'-P energy: -6.889 bonds (distance) P-C4' energy: -7.558 flat angles C4'-P-C4' energy: -3.714 flat angles P-C4'-P energy: -3.009 tors. eta vs tors. theta energy: -5.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -46.773753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.773753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.773753 (E_RNA) where: Base-Base interactions energy: -27.403 where: short stacking energy: -13.231 Base-Backbone interact. energy: -0.438 local terms energy: -18.933155 where: bonds (distance) C4'-P energy: -6.002 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -7.796 flat angles P-C4'-P energy: 1.629 tors. eta vs tors. theta energy: 1.168 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: 423 Temperature: 1.200000 Total energy: -44.819239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.819239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.819239 (E_RNA) where: Base-Base interactions energy: -20.420 where: short stacking energy: -19.069 Base-Backbone interact. energy: -0.007 local terms energy: -24.392344 where: bonds (distance) C4'-P energy: -7.241 bonds (distance) P-C4' energy: -6.490 flat angles C4'-P-C4' energy: -3.811 flat angles P-C4'-P energy: -5.427 tors. eta vs tors. theta energy: -1.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -40.951025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.951025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.951025 (E_RNA) where: Base-Base interactions energy: -13.139 where: short stacking energy: -12.673 Base-Backbone interact. energy: -0.138 local terms energy: -27.673870 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -5.056 flat angles C4'-P-C4' energy: -8.213 flat angles P-C4'-P energy: -4.492 tors. eta vs tors. theta energy: -1.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -45.338680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.338680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.338680 (E_RNA) where: Base-Base interactions energy: -15.271 where: short stacking energy: -13.986 Base-Backbone interact. energy: 0.654 local terms energy: -30.721967 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -6.179 flat angles P-C4'-P energy: -5.707 tors. eta vs tors. theta energy: -5.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -39.573407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.573407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.573407 (E_RNA) where: Base-Base interactions energy: -12.767 where: short stacking energy: -12.767 Base-Backbone interact. energy: -0.001 local terms energy: -26.805325 where: bonds (distance) C4'-P energy: -7.121 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -5.713 flat angles P-C4'-P energy: -2.333 tors. eta vs tors. theta energy: -3.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -57.494624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.494624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.494624 (E_RNA) where: Base-Base interactions energy: -22.464 where: short stacking energy: -22.464 Base-Backbone interact. energy: -0.001 local terms energy: -35.029307 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -8.585 flat angles P-C4'-P energy: -5.494 tors. eta vs tors. theta energy: -4.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -64.330077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.330077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.330077 (E_RNA) where: Base-Base interactions energy: -31.673 where: short stacking energy: -22.238 Base-Backbone interact. energy: -0.061 local terms energy: -32.596196 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -6.319 flat angles P-C4'-P energy: -4.863 tors. eta vs tors. theta energy: -3.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -71.670690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.670690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.670690 (E_RNA) where: Base-Base interactions energy: -31.201 where: short stacking energy: -31.201 Base-Backbone interact. energy: -0.000 local terms energy: -40.469224 where: bonds (distance) C4'-P energy: -7.730 bonds (distance) P-C4' energy: -8.547 flat angles C4'-P-C4' energy: -7.399 flat angles P-C4'-P energy: -6.620 tors. eta vs tors. theta energy: -10.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -54.357385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.357385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.357385 (E_RNA) where: Base-Base interactions energy: -22.391 where: short stacking energy: -22.316 Base-Backbone interact. energy: -0.000 local terms energy: -31.965931 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -8.312 flat angles C4'-P-C4' energy: -7.832 flat angles P-C4'-P energy: -4.502 tors. eta vs tors. theta energy: -6.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -49.026948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.026948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.026948 (E_RNA) where: Base-Base interactions energy: -19.507 where: short stacking energy: -19.507 Base-Backbone interact. energy: 0.205 local terms energy: -29.724008 where: bonds (distance) C4'-P energy: -5.057 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -4.707 flat angles P-C4'-P energy: -4.394 tors. eta vs tors. theta energy: -7.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -45.634414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.634414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.634414 (E_RNA) where: Base-Base interactions energy: -16.913 where: short stacking energy: -16.913 Base-Backbone interact. energy: -0.071 local terms energy: -28.650926 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -5.591 flat angles P-C4'-P energy: -4.807 tors. eta vs tors. theta energy: -2.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -53.952977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.952977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.952977 (E_RNA) where: Base-Base interactions energy: -24.755 where: short stacking energy: -13.977 Base-Backbone interact. energy: -0.164 local terms energy: -29.033691 where: bonds (distance) C4'-P energy: -7.907 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.776 flat angles P-C4'-P energy: -5.084 tors. eta vs tors. theta energy: -0.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -47.234348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.234348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.234348 (E_RNA) where: Base-Base interactions energy: -16.150 where: short stacking energy: -9.076 Base-Backbone interact. energy: -0.000 local terms energy: -31.084218 where: bonds (distance) C4'-P energy: -6.790 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.581 flat angles P-C4'-P energy: -5.008 tors. eta vs tors. theta energy: -3.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -38.979156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.979156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.979156 (E_RNA) where: Base-Base interactions energy: -13.798 where: short stacking energy: -13.798 Base-Backbone interact. energy: -0.092 local terms energy: -25.089817 where: bonds (distance) C4'-P energy: -6.835 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -6.428 flat angles P-C4'-P energy: -3.235 tors. eta vs tors. theta energy: -0.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -44.774599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.774599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.774599 (E_RNA) where: Base-Base interactions energy: -18.347 where: short stacking energy: -18.347 Base-Backbone interact. energy: -0.002 local terms energy: -26.426278 where: bonds (distance) C4'-P energy: -5.626 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -4.687 flat angles P-C4'-P energy: -3.811 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: 1, replica: 10 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -61.407052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.407052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.407052 (E_RNA) where: Base-Base interactions energy: -25.364 where: short stacking energy: -25.364 Base-Backbone interact. energy: -0.013 local terms energy: -36.029654 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -8.863 flat angles C4'-P-C4' energy: -7.785 flat angles P-C4'-P energy: -5.202 tors. eta vs tors. theta energy: -7.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -59.250244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.250244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.250244 (E_RNA) where: Base-Base interactions energy: -23.960 where: short stacking energy: -23.960 Base-Backbone interact. energy: -0.001 local terms energy: -35.289637 where: bonds (distance) C4'-P energy: -6.326 bonds (distance) P-C4' energy: -7.886 flat angles C4'-P-C4' energy: -6.228 flat angles P-C4'-P energy: -7.688 tors. eta vs tors. theta energy: -7.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -72.890250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.890250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.890250 (E_RNA) where: Base-Base interactions energy: -37.444 where: short stacking energy: -23.442 Base-Backbone interact. energy: -0.025 local terms energy: -35.420676 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.565 flat angles C4'-P-C4' energy: -8.588 flat angles P-C4'-P energy: -6.532 tors. eta vs tors. theta energy: -4.139 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: 2 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -57.732441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.732441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.732441 (E_RNA) where: Base-Base interactions energy: -23.040 where: short stacking energy: -21.722 Base-Backbone interact. energy: -0.000 local terms energy: -34.692578 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -8.286 flat angles P-C4'-P energy: -2.683 tors. eta vs tors. theta energy: -7.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -53.738170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.738170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.738170 (E_RNA) where: Base-Base interactions energy: -22.272 where: short stacking energy: -11.344 Base-Backbone interact. energy: -0.200 local terms energy: -31.266519 where: bonds (distance) C4'-P energy: -6.495 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -7.482 flat angles P-C4'-P energy: -4.820 tors. eta vs tors. theta energy: -3.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -55.327448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.327448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.327448 (E_RNA) where: Base-Base interactions energy: -32.488 where: short stacking energy: -24.534 Base-Backbone interact. energy: -0.000 local terms energy: -22.839452 where: bonds (distance) C4'-P energy: -4.571 bonds (distance) P-C4' energy: -4.548 flat angles C4'-P-C4' energy: -7.130 flat angles P-C4'-P energy: -1.130 tors. eta vs tors. theta energy: -5.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -47.873805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.873805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.873805 (E_RNA) where: Base-Base interactions energy: -15.753 where: short stacking energy: -15.753 Base-Backbone interact. energy: -0.025 local terms energy: -32.095922 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -7.319 flat angles P-C4'-P energy: -6.271 tors. eta vs tors. theta energy: -3.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -42.310552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.310552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.310552 (E_RNA) where: Base-Base interactions energy: -16.507 where: short stacking energy: -9.145 Base-Backbone interact. energy: -0.052 local terms energy: -25.752082 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -5.264 flat angles P-C4'-P energy: -3.897 tors. eta vs tors. theta energy: -1.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -50.261817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.261817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.261817 (E_RNA) where: Base-Base interactions energy: -25.446 where: short stacking energy: -11.226 Base-Backbone interact. energy: -0.054 local terms energy: -24.762628 where: bonds (distance) C4'-P energy: -4.205 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.991 flat angles P-C4'-P energy: -6.549 tors. eta vs tors. theta energy: -0.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -39.649280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.649280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.649280 (E_RNA) where: Base-Base interactions energy: -8.221 where: short stacking energy: -8.221 Base-Backbone interact. energy: -0.006 local terms energy: -31.421722 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -8.735 flat angles P-C4'-P energy: -6.607 tors. eta vs tors. theta energy: -0.764 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: 426 Temperature: 0.900000 Total energy: -69.542692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.542692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.542692 (E_RNA) where: Base-Base interactions energy: -30.716 where: short stacking energy: -30.716 Base-Backbone interact. energy: -0.000 local terms energy: -38.826960 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -8.655 flat angles P-C4'-P energy: -3.889 tors. eta vs tors. theta energy: -9.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -61.312069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.312069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.312069 (E_RNA) where: Base-Base interactions energy: -28.970 where: short stacking energy: -28.970 Base-Backbone interact. energy: -0.003 local terms energy: -32.339522 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -7.049 flat angles P-C4'-P energy: -3.222 tors. eta vs tors. theta energy: -6.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -60.454084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.454084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.454084 (E_RNA) where: Base-Base interactions energy: -27.198 where: short stacking energy: -11.977 Base-Backbone interact. energy: -0.100 local terms energy: -33.156210 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -7.660 flat angles P-C4'-P energy: -6.605 tors. eta vs tors. theta energy: -1.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -57.552899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.552899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.552899 (E_RNA) where: Base-Base interactions energy: -27.168 where: short stacking energy: -27.168 Base-Backbone interact. energy: -0.000 local terms energy: -30.384740 where: bonds (distance) C4'-P energy: -2.958 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -9.009 flat angles P-C4'-P energy: -3.636 tors. eta vs tors. theta energy: -8.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -65.922793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.922793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.922793 (E_RNA) where: Base-Base interactions energy: -30.372 where: short stacking energy: -27.023 Base-Backbone interact. energy: -0.000 local terms energy: -35.550841 where: bonds (distance) C4'-P energy: -4.554 bonds (distance) P-C4' energy: -7.496 flat angles C4'-P-C4' energy: -8.555 flat angles P-C4'-P energy: -6.474 tors. eta vs tors. theta energy: -8.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -52.852187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.852187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.852187 (E_RNA) where: Base-Base interactions energy: -18.455 where: short stacking energy: -20.955 Base-Backbone interact. energy: -0.000 local terms energy: -34.396315 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.544 flat angles P-C4'-P energy: -6.874 tors. eta vs tors. theta energy: -5.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -46.793538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.793538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.793538 (E_RNA) where: Base-Base interactions energy: -15.372 where: short stacking energy: -15.372 Base-Backbone interact. energy: -0.001 local terms energy: -31.420395 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -9.056 flat angles C4'-P-C4' energy: -5.482 flat angles P-C4'-P energy: -6.204 tors. eta vs tors. theta energy: -3.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -54.312436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.312436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.312436 (E_RNA) where: Base-Base interactions energy: -23.285 where: short stacking energy: -19.281 Base-Backbone interact. energy: -0.006 local terms energy: -31.020996 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -7.458 flat angles P-C4'-P energy: -3.696 tors. eta vs tors. theta energy: -6.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -40.994838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.994838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.994838 (E_RNA) where: Base-Base interactions energy: -14.326 where: short stacking energy: -13.360 Base-Backbone interact. energy: -0.144 local terms energy: -26.524682 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -6.449 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -6.478 tors. eta vs tors. theta energy: -1.020 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: 9 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -48.665517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.665517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.665517 (E_RNA) where: Base-Base interactions energy: -16.193 where: short stacking energy: -16.193 Base-Backbone interact. energy: -0.105 local terms energy: -32.367915 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.700 flat angles P-C4'-P energy: -6.966 tors. eta vs tors. theta energy: -1.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -71.193176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.193176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.193176 (E_RNA) where: Base-Base interactions energy: -32.229 where: short stacking energy: -32.229 Base-Backbone interact. energy: -0.000 local terms energy: -38.963820 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.072 flat angles P-C4'-P energy: -5.415 tors. eta vs tors. theta energy: -9.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -65.368685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.368685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.368685 (E_RNA) where: Base-Base interactions energy: -28.755 where: short stacking energy: -28.755 Base-Backbone interact. energy: -0.000 local terms energy: -36.613948 where: bonds (distance) C4'-P energy: -7.090 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -8.287 flat angles P-C4'-P energy: -5.775 tors. eta vs tors. theta energy: -8.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -59.247896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.247896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.247896 (E_RNA) where: Base-Base interactions energy: -29.842 where: short stacking energy: -26.675 Base-Backbone interact. energy: -0.001 local terms energy: -29.404260 where: bonds (distance) C4'-P energy: -4.814 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.631 flat angles P-C4'-P energy: -4.145 tors. eta vs tors. theta energy: -4.923 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: 1 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -59.702732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.702732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.702732 (E_RNA) where: Base-Base interactions energy: -24.574 where: short stacking energy: -21.334 Base-Backbone interact. energy: -0.003 local terms energy: -35.125898 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -8.014 flat angles P-C4'-P energy: -4.307 tors. eta vs tors. theta energy: -5.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -52.452047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.452047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.452047 (E_RNA) where: Base-Base interactions energy: -20.069 where: short stacking energy: -20.069 Base-Backbone interact. energy: -0.013 local terms energy: -32.370139 where: bonds (distance) C4'-P energy: -6.123 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -5.954 flat angles P-C4'-P energy: -6.112 tors. eta vs tors. theta energy: -4.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -51.636623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.636623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.636623 (E_RNA) where: Base-Base interactions energy: -26.029 where: short stacking energy: -25.127 Base-Backbone interact. energy: -0.003 local terms energy: -25.604849 where: bonds (distance) C4'-P energy: -2.667 bonds (distance) P-C4' energy: -6.576 flat angles C4'-P-C4' energy: -5.794 flat angles P-C4'-P energy: -3.815 tors. eta vs tors. theta energy: -6.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -48.864838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.864838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.864838 (E_RNA) where: Base-Base interactions energy: -18.756 where: short stacking energy: -18.756 Base-Backbone interact. energy: -0.000 local terms energy: -30.108711 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -6.889 flat angles P-C4'-P energy: -3.754 tors. eta vs tors. theta energy: -3.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -50.034676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.034676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.034676 (E_RNA) where: Base-Base interactions energy: -19.293 where: short stacking energy: -19.293 Base-Backbone interact. energy: -0.010 local terms energy: -30.731168 where: bonds (distance) C4'-P energy: -4.296 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -8.639 flat angles P-C4'-P energy: -6.169 tors. eta vs tors. theta energy: -3.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -42.819393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.819393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.819393 (E_RNA) where: Base-Base interactions energy: -14.690 where: short stacking energy: -14.690 Base-Backbone interact. energy: -0.087 local terms energy: -28.043268 where: bonds (distance) C4'-P energy: -5.655 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -5.752 flat angles P-C4'-P energy: -6.078 tors. eta vs tors. theta energy: -2.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -40.870883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.870883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.870883 (E_RNA) where: Base-Base interactions energy: -18.456 where: short stacking energy: -18.456 Base-Backbone interact. energy: -0.069 local terms energy: -22.346121 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -6.977 flat angles C4'-P-C4' energy: -3.212 flat angles P-C4'-P energy: -2.666 tors. eta vs tors. theta energy: -2.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -58.376361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.376361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.376361 (E_RNA) where: Base-Base interactions energy: -25.791 where: short stacking energy: -17.881 Base-Backbone interact. energy: -0.048 local terms energy: -32.537609 where: bonds (distance) C4'-P energy: -8.727 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -6.639 flat angles P-C4'-P energy: -4.577 tors. eta vs tors. theta energy: -3.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -53.025492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.025492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.025492 (E_RNA) where: Base-Base interactions energy: -20.700 where: short stacking energy: -20.700 Base-Backbone interact. energy: -0.086 local terms energy: -32.239131 where: bonds (distance) C4'-P energy: -5.970 bonds (distance) P-C4' energy: -7.128 flat angles C4'-P-C4' energy: -7.287 flat angles P-C4'-P energy: -5.898 tors. eta vs tors. theta energy: -5.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -65.210730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.210730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.210730 (E_RNA) where: Base-Base interactions energy: -24.942 where: short stacking energy: -24.942 Base-Backbone interact. energy: -0.000 local terms energy: -40.268294 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -9.571 flat angles C4'-P-C4' energy: -7.771 flat angles P-C4'-P energy: -6.339 tors. eta vs tors. theta energy: -8.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -61.051229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.051229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.051229 (E_RNA) where: Base-Base interactions energy: -28.146 where: short stacking energy: -20.952 Base-Backbone interact. energy: -0.004 local terms energy: -32.901174 where: bonds (distance) C4'-P energy: -6.528 bonds (distance) P-C4' energy: -8.097 flat angles C4'-P-C4' energy: -5.254 flat angles P-C4'-P energy: -7.204 tors. eta vs tors. theta energy: -5.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -48.018391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.018391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.018391 (E_RNA) where: Base-Base interactions energy: -17.288 where: short stacking energy: -17.288 Base-Backbone interact. energy: -0.001 local terms energy: -30.729989 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -3.721 flat angles P-C4'-P energy: -6.959 tors. eta vs tors. theta energy: -2.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -54.143037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.143037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.143037 (E_RNA) where: Base-Base interactions energy: -23.455 where: short stacking energy: -16.939 Base-Backbone interact. energy: -0.022 local terms energy: -30.665840 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -6.679 flat angles P-C4'-P energy: -4.277 tors. eta vs tors. theta energy: -5.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -43.087870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.087870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.087870 (E_RNA) where: Base-Base interactions energy: -15.639 where: short stacking energy: -15.639 Base-Backbone interact. energy: -0.120 local terms energy: -27.328390 where: bonds (distance) C4'-P energy: -5.361 bonds (distance) P-C4' energy: -5.578 flat angles C4'-P-C4' energy: -6.416 flat angles P-C4'-P energy: -6.872 tors. eta vs tors. theta energy: -3.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -50.547281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.547281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.547281 (E_RNA) where: Base-Base interactions energy: -20.460 where: short stacking energy: -20.460 Base-Backbone interact. energy: -0.000 local terms energy: -30.087224 where: bonds (distance) C4'-P energy: -7.687 bonds (distance) P-C4' energy: -5.060 flat angles C4'-P-C4' energy: -8.156 flat angles P-C4'-P energy: -3.962 tors. eta vs tors. theta energy: -5.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -47.340199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.340199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.340199 (E_RNA) where: Base-Base interactions energy: -16.342 where: short stacking energy: -14.923 Base-Backbone interact. energy: -0.768 local terms energy: -30.230319 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -2.390 flat angles P-C4'-P energy: -5.501 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: 10, replica: 4 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -41.345732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.345732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.345732 (E_RNA) where: Base-Base interactions energy: -12.972 where: short stacking energy: -13.372 Base-Backbone interact. energy: -0.087 local terms energy: -28.286744 where: bonds (distance) C4'-P energy: -6.475 bonds (distance) P-C4' energy: -7.545 flat angles C4'-P-C4' energy: -6.829 flat angles P-C4'-P energy: -5.820 tors. eta vs tors. theta energy: -1.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -63.962668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.962668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.962668 (E_RNA) where: Base-Base interactions energy: -29.119 where: short stacking energy: -22.814 Base-Backbone interact. energy: -0.059 local terms energy: -34.784525 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.213 flat angles P-C4'-P energy: -4.540 tors. eta vs tors. theta energy: -5.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -72.975507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.975507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.975507 (E_RNA) where: Base-Base interactions energy: -38.290 where: short stacking energy: -28.569 Base-Backbone interact. energy: -0.017 local terms energy: -34.668989 where: bonds (distance) C4'-P energy: -7.927 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -8.995 flat angles P-C4'-P energy: -4.875 tors. eta vs tors. theta energy: -5.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -62.555003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.555003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.555003 (E_RNA) where: Base-Base interactions energy: -33.601 where: short stacking energy: -19.769 Base-Backbone interact. energy: -0.008 local terms energy: -28.945464 where: bonds (distance) C4'-P energy: -6.955 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -4.242 flat angles P-C4'-P energy: -4.341 tors. eta vs tors. theta energy: -5.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -53.541977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.541977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.541977 (E_RNA) where: Base-Base interactions energy: -21.902 where: short stacking energy: -21.902 Base-Backbone interact. energy: -0.017 local terms energy: -31.623112 where: bonds (distance) C4'-P energy: -6.542 bonds (distance) P-C4' energy: -9.045 flat angles C4'-P-C4' energy: -8.421 flat angles P-C4'-P energy: -4.791 tors. eta vs tors. theta energy: -2.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -51.374801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.374801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.374801 (E_RNA) where: Base-Base interactions energy: -25.810 where: short stacking energy: -25.810 Base-Backbone interact. energy: -0.001 local terms energy: -25.564664 where: bonds (distance) C4'-P energy: -6.594 bonds (distance) P-C4' energy: -6.606 flat angles C4'-P-C4' energy: -4.395 flat angles P-C4'-P energy: -3.636 tors. eta vs tors. theta energy: -4.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -51.087814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.087814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.087814 (E_RNA) where: Base-Base interactions energy: -23.327 where: short stacking energy: -15.472 Base-Backbone interact. energy: -0.096 local terms energy: -27.665391 where: bonds (distance) C4'-P energy: -3.295 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.933 flat angles P-C4'-P energy: -5.369 tors. eta vs tors. theta energy: -2.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -55.221569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.221569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.221569 (E_RNA) where: Base-Base interactions energy: -26.138 where: short stacking energy: -17.449 Base-Backbone interact. energy: -0.002 local terms energy: -29.082202 where: bonds (distance) C4'-P energy: -6.131 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -8.317 flat angles P-C4'-P energy: -4.244 tors. eta vs tors. theta energy: -1.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -45.786074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.786074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.786074 (E_RNA) where: Base-Base interactions energy: -19.391 where: short stacking energy: -19.391 Base-Backbone interact. energy: -0.173 local terms energy: -26.222017 where: bonds (distance) C4'-P energy: -5.616 bonds (distance) P-C4' energy: -7.864 flat angles C4'-P-C4' energy: -4.909 flat angles P-C4'-P energy: -5.217 tors. eta vs tors. theta energy: -2.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -47.983606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.983606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.983606 (E_RNA) where: Base-Base interactions energy: -19.253 where: short stacking energy: -19.253 Base-Backbone interact. energy: -0.027 local terms energy: -28.703879 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -3.727 flat angles P-C4'-P energy: -5.782 tors. eta vs tors. theta energy: -4.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -39.009267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.009267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.009267 (E_RNA) where: Base-Base interactions energy: -10.315 where: short stacking energy: -10.315 Base-Backbone interact. energy: -0.129 local terms energy: -28.564955 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -8.573 flat angles C4'-P-C4' energy: -8.523 flat angles P-C4'-P energy: -2.659 tors. eta vs tors. theta energy: -1.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -75.500179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.500179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.500179 (E_RNA) where: Base-Base interactions energy: -41.488 where: short stacking energy: -28.894 Base-Backbone interact. energy: -0.002 local terms energy: -34.010586 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.518 flat angles P-C4'-P energy: -6.669 tors. eta vs tors. theta energy: -6.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -65.737838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.737838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.737838 (E_RNA) where: Base-Base interactions energy: -25.964 where: short stacking energy: -25.964 Base-Backbone interact. energy: -0.000 local terms energy: -39.773013 where: bonds (distance) C4'-P energy: -8.590 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -7.355 flat angles P-C4'-P energy: -6.633 tors. eta vs tors. theta energy: -9.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -60.019782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.019782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.019782 (E_RNA) where: Base-Base interactions energy: -25.189 where: short stacking energy: -25.189 Base-Backbone interact. energy: -0.029 local terms energy: -34.801884 where: bonds (distance) C4'-P energy: -6.769 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -7.930 flat angles P-C4'-P energy: -4.811 tors. eta vs tors. theta energy: -8.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -58.153797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.153797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.153797 (E_RNA) where: Base-Base interactions energy: -32.482 where: short stacking energy: -20.570 Base-Backbone interact. energy: -0.205 local terms energy: -25.467033 where: bonds (distance) C4'-P energy: -4.560 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -3.373 flat angles P-C4'-P energy: -6.547 tors. eta vs tors. theta energy: -2.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -53.780781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.780781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.780781 (E_RNA) where: Base-Base interactions energy: -23.166 where: short stacking energy: -23.166 Base-Backbone interact. energy: -0.000 local terms energy: -30.614837 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -8.373 flat angles P-C4'-P energy: -3.167 tors. eta vs tors. theta energy: -5.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -60.446405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.446405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.446405 (E_RNA) where: Base-Base interactions energy: -31.920 where: short stacking energy: -19.755 Base-Backbone interact. energy: -0.005 local terms energy: -28.521891 where: bonds (distance) C4'-P energy: -5.423 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -5.459 flat angles P-C4'-P energy: -2.929 tors. eta vs tors. theta energy: -6.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -43.326920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.326920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.326920 (E_RNA) where: Base-Base interactions energy: -16.720 where: short stacking energy: -12.751 Base-Backbone interact. energy: 1.296 local terms energy: -27.902921 where: bonds (distance) C4'-P energy: -5.689 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -4.657 flat angles P-C4'-P energy: -4.611 tors. eta vs tors. theta energy: -3.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -43.641610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.641610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.641610 (E_RNA) where: Base-Base interactions energy: -16.708 where: short stacking energy: -16.708 Base-Backbone interact. energy: -0.058 local terms energy: -26.875729 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -5.858 flat angles P-C4'-P energy: -3.329 tors. eta vs tors. theta energy: -4.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -43.715108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.715108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.715108 (E_RNA) where: Base-Base interactions energy: -18.985 where: short stacking energy: -14.301 Base-Backbone interact. energy: -0.059 local terms energy: -24.671272 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.904 flat angles C4'-P-C4' energy: -7.671 flat angles P-C4'-P energy: -3.197 tors. eta vs tors. theta energy: -2.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -43.257688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.257688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.257688 (E_RNA) where: Base-Base interactions energy: -12.811 where: short stacking energy: -12.811 Base-Backbone interact. energy: -0.082 local terms energy: -30.364772 where: bonds (distance) C4'-P energy: -6.002 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -8.313 flat angles P-C4'-P energy: -3.491 tors. eta vs tors. theta energy: -5.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -65.114889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.114889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.114889 (E_RNA) where: Base-Base interactions energy: -28.604 where: short stacking energy: -28.604 Base-Backbone interact. energy: -0.000 local terms energy: -36.510679 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -8.690 flat angles P-C4'-P energy: -3.984 tors. eta vs tors. theta energy: -7.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -55.307577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.307577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.307577 (E_RNA) where: Base-Base interactions energy: -24.893 where: short stacking energy: -24.893 Base-Backbone interact. energy: -0.000 local terms energy: -30.414221 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.514 flat angles C4'-P-C4' energy: -8.762 flat angles P-C4'-P energy: -4.338 tors. eta vs tors. theta energy: -4.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -66.425674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.425674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.425674 (E_RNA) where: Base-Base interactions energy: -28.430 where: short stacking energy: -28.430 Base-Backbone interact. energy: -0.000 local terms energy: -37.995910 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -8.870 flat angles P-C4'-P energy: -5.539 tors. eta vs tors. theta energy: -9.708 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: 6 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -49.154641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.154641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.154641 (E_RNA) where: Base-Base interactions energy: -20.427 where: short stacking energy: -15.863 Base-Backbone interact. energy: -0.003 local terms energy: -28.724576 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -6.507 flat angles P-C4'-P energy: -4.991 tors. eta vs tors. theta energy: -0.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -55.743771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.743771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.743771 (E_RNA) where: Base-Base interactions energy: -28.921 where: short stacking energy: -19.857 Base-Backbone interact. energy: -0.024 local terms energy: -26.797965 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -3.503 flat angles C4'-P-C4' energy: -7.855 flat angles P-C4'-P energy: -5.492 tors. eta vs tors. theta energy: -3.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -52.562557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.562557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.562557 (E_RNA) where: Base-Base interactions energy: -20.171 where: short stacking energy: -20.171 Base-Backbone interact. energy: -0.000 local terms energy: -32.391518 where: bonds (distance) C4'-P energy: -7.059 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.287 flat angles P-C4'-P energy: -4.595 tors. eta vs tors. theta energy: -3.105 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: 2 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -49.842449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.842449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.842449 (E_RNA) where: Base-Base interactions energy: -20.027 where: short stacking energy: -15.551 Base-Backbone interact. energy: -0.122 local terms energy: -29.693974 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -7.622 flat angles C4'-P-C4' energy: -6.983 flat angles P-C4'-P energy: -6.513 tors. eta vs tors. theta energy: 0.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -46.082051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.082051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.082051 (E_RNA) where: Base-Base interactions energy: -18.159 where: short stacking energy: -17.747 Base-Backbone interact. energy: -0.003 local terms energy: -27.919963 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -6.448 flat angles C4'-P-C4' energy: -5.049 flat angles P-C4'-P energy: -5.170 tors. eta vs tors. theta energy: -3.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -43.628941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.628941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.628941 (E_RNA) where: Base-Base interactions energy: -14.414 where: short stacking energy: -14.414 Base-Backbone interact. energy: -0.055 local terms energy: -29.159654 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -4.959 flat angles C4'-P-C4' energy: -6.105 flat angles P-C4'-P energy: -5.850 tors. eta vs tors. theta energy: -3.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -45.318599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.318599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.318599 (E_RNA) where: Base-Base interactions energy: -18.427 where: short stacking energy: -15.018 Base-Backbone interact. energy: -0.714 local terms energy: -26.177594 where: bonds (distance) C4'-P energy: -6.640 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -8.333 flat angles P-C4'-P energy: -2.680 tors. eta vs tors. theta energy: -0.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -61.897402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.897402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.897402 (E_RNA) where: Base-Base interactions energy: -28.158 where: short stacking energy: -28.158 Base-Backbone interact. energy: -0.000 local terms energy: -33.739047 where: bonds (distance) C4'-P energy: -7.430 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -6.980 flat angles P-C4'-P energy: -3.890 tors. eta vs tors. theta energy: -6.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -66.141150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.141150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.141150 (E_RNA) where: Base-Base interactions energy: -31.031 where: short stacking energy: -31.031 Base-Backbone interact. energy: -0.000 local terms energy: -35.110596 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -8.609 flat angles P-C4'-P energy: -3.587 tors. eta vs tors. theta energy: -6.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -63.065552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.065552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.065552 (E_RNA) where: Base-Base interactions energy: -29.920 where: short stacking energy: -22.356 Base-Backbone interact. energy: -0.001 local terms energy: -33.144602 where: bonds (distance) C4'-P energy: -6.922 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -7.327 flat angles P-C4'-P energy: -5.083 tors. eta vs tors. theta energy: -4.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -57.743155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.743155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.743155 (E_RNA) where: Base-Base interactions energy: -21.913 where: short stacking energy: -21.913 Base-Backbone interact. energy: -0.002 local terms energy: -35.828930 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -3.791 flat angles P-C4'-P energy: -6.136 tors. eta vs tors. theta energy: -8.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -53.445308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.445308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.445308 (E_RNA) where: Base-Base interactions energy: -23.458 where: short stacking energy: -19.961 Base-Backbone interact. energy: -0.001 local terms energy: -29.987014 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -6.949 flat angles C4'-P-C4' energy: -7.206 flat angles P-C4'-P energy: -3.525 tors. eta vs tors. theta energy: -3.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -47.829118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.829118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.829118 (E_RNA) where: Base-Base interactions energy: -24.727 where: short stacking energy: -24.727 Base-Backbone interact. energy: 0.012 local terms energy: -23.113694 where: bonds (distance) C4'-P energy: -2.860 bonds (distance) P-C4' energy: -2.585 flat angles C4'-P-C4' energy: -8.776 flat angles P-C4'-P energy: -4.378 tors. eta vs tors. theta energy: -4.514 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: 4 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -41.621818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.621818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.621818 (E_RNA) where: Base-Base interactions energy: -17.855 where: short stacking energy: -7.107 Base-Backbone interact. energy: -0.055 local terms energy: -23.711209 where: bonds (distance) C4'-P energy: -7.559 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -2.178 flat angles P-C4'-P energy: -5.548 tors. eta vs tors. theta energy: -0.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -52.221127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.221127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.221127 (E_RNA) where: Base-Base interactions energy: -25.587 where: short stacking energy: -15.701 Base-Backbone interact. energy: -0.011 local terms energy: -26.622883 where: bonds (distance) C4'-P energy: -4.202 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -4.693 flat angles P-C4'-P energy: -4.698 tors. eta vs tors. theta energy: -5.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -43.067027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.067027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.067027 (E_RNA) where: Base-Base interactions energy: -15.710 where: short stacking energy: -15.639 Base-Backbone interact. energy: -0.001 local terms energy: -27.356754 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -6.765 flat angles P-C4'-P energy: -3.707 tors. eta vs tors. theta energy: -3.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -41.545650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.545650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.545650 (E_RNA) where: Base-Base interactions energy: -14.291 where: short stacking energy: -11.505 Base-Backbone interact. energy: -0.094 local terms energy: -27.160219 where: bonds (distance) C4'-P energy: -7.784 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -6.567 flat angles P-C4'-P energy: -5.201 tors. eta vs tors. theta energy: 1.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -64.533104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.533104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.533104 (E_RNA) where: Base-Base interactions energy: -27.348 where: short stacking energy: -27.348 Base-Backbone interact. energy: -0.001 local terms energy: -37.184210 where: bonds (distance) C4'-P energy: -6.310 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -7.346 flat angles P-C4'-P energy: -5.306 tors. eta vs tors. theta energy: -9.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -59.991161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.991161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.991161 (E_RNA) where: Base-Base interactions energy: -28.155 where: short stacking energy: -28.155 Base-Backbone interact. energy: -0.003 local terms energy: -31.832655 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -6.287 flat angles C4'-P-C4' energy: -8.661 flat angles P-C4'-P energy: -5.803 tors. eta vs tors. theta energy: -3.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -54.643209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.643209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.643209 (E_RNA) where: Base-Base interactions energy: -18.848 where: short stacking energy: -18.848 Base-Backbone interact. energy: -0.017 local terms energy: -35.778627 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -7.814 flat angles P-C4'-P energy: -5.759 tors. eta vs tors. theta energy: -5.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -49.992098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.992098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.992098 (E_RNA) where: Base-Base interactions energy: -24.735 where: short stacking energy: -13.010 Base-Backbone interact. energy: -1.393 local terms energy: -23.864349 where: bonds (distance) C4'-P energy: -6.943 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.282 flat angles P-C4'-P energy: -2.201 tors. eta vs tors. theta energy: 1.202 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: 5, replica: 10 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -60.260358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.260358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.260358 (E_RNA) where: Base-Base interactions energy: -26.349 where: short stacking energy: -23.459 Base-Backbone interact. energy: -0.000 local terms energy: -33.911009 where: bonds (distance) C4'-P energy: -5.381 bonds (distance) P-C4' energy: -8.569 flat angles C4'-P-C4' energy: -8.623 flat angles P-C4'-P energy: -4.709 tors. eta vs tors. theta energy: -6.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -43.594965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.594965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.594965 (E_RNA) where: Base-Base interactions energy: -16.807 where: short stacking energy: -16.807 Base-Backbone interact. energy: -0.037 local terms energy: -26.750514 where: bonds (distance) C4'-P energy: -5.927 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -7.662 flat angles P-C4'-P energy: -3.356 tors. eta vs tors. theta energy: -1.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -52.204742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.204742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.204742 (E_RNA) where: Base-Base interactions energy: -23.387 where: short stacking energy: -16.396 Base-Backbone interact. energy: -0.070 local terms energy: -28.747523 where: bonds (distance) C4'-P energy: -7.092 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -7.006 flat angles P-C4'-P energy: -3.145 tors. eta vs tors. theta energy: -1.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -42.003730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.003730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.003730 (E_RNA) where: Base-Base interactions energy: -15.720 where: short stacking energy: -16.120 Base-Backbone interact. energy: -0.018 local terms energy: -26.265185 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.630 flat angles P-C4'-P energy: -0.729 tors. eta vs tors. theta energy: -4.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -41.173915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.173915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.173915 (E_RNA) where: Base-Base interactions energy: -12.471 where: short stacking energy: -10.779 Base-Backbone interact. energy: -0.027 local terms energy: -28.676560 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -6.711 flat angles P-C4'-P energy: -4.466 tors. eta vs tors. theta energy: -2.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -47.578622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.578622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.578622 (E_RNA) where: Base-Base interactions energy: -19.231 where: short stacking energy: -19.083 Base-Backbone interact. energy: -0.742 local terms energy: -27.606188 where: bonds (distance) C4'-P energy: -6.756 bonds (distance) P-C4' energy: -6.294 flat angles C4'-P-C4' energy: -6.494 flat angles P-C4'-P energy: -3.921 tors. eta vs tors. theta energy: -4.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -61.958206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.958206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.958206 (E_RNA) where: Base-Base interactions energy: -25.451 where: short stacking energy: -25.451 Base-Backbone interact. energy: -0.000 local terms energy: -36.507294 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -7.302 flat angles P-C4'-P energy: -4.713 tors. eta vs tors. theta energy: -8.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -65.983554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.983554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.983554 (E_RNA) where: Base-Base interactions energy: -30.326 where: short stacking energy: -30.326 Base-Backbone interact. energy: -0.001 local terms energy: -35.656898 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -6.837 flat angles P-C4'-P energy: -4.567 tors. eta vs tors. theta energy: -7.875 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: 6 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -64.916480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.916480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.916480 (E_RNA) where: Base-Base interactions energy: -27.413 where: short stacking energy: -20.181 Base-Backbone interact. energy: -0.001 local terms energy: -37.502729 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -7.739 flat angles P-C4'-P energy: -6.971 tors. eta vs tors. theta energy: -5.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -60.058154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.058154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.058154 (E_RNA) where: Base-Base interactions energy: -29.721 where: short stacking energy: -28.490 Base-Backbone interact. energy: -0.001 local terms energy: -30.336225 where: bonds (distance) C4'-P energy: -6.511 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -4.689 flat angles P-C4'-P energy: -4.231 tors. eta vs tors. theta energy: -6.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -52.587651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.587651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.587651 (E_RNA) where: Base-Base interactions energy: -20.631 where: short stacking energy: -20.631 Base-Backbone interact. energy: -0.011 local terms energy: -31.945706 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -7.572 flat angles C4'-P-C4' energy: -7.517 flat angles P-C4'-P energy: -5.387 tors. eta vs tors. theta energy: -3.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -52.447080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.447080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.447080 (E_RNA) where: Base-Base interactions energy: -21.967 where: short stacking energy: -21.967 Base-Backbone interact. energy: -0.003 local terms energy: -30.477218 where: bonds (distance) C4'-P energy: -4.151 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -8.165 flat angles P-C4'-P energy: -4.669 tors. eta vs tors. theta energy: -4.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -46.535028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.535028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.535028 (E_RNA) where: Base-Base interactions energy: -13.917 where: short stacking energy: -12.661 Base-Backbone interact. energy: -0.022 local terms energy: -32.596415 where: bonds (distance) C4'-P energy: -7.260 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -8.437 flat angles P-C4'-P energy: -5.286 tors. eta vs tors. theta energy: -3.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -45.058680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.058680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.058680 (E_RNA) where: Base-Base interactions energy: -15.901 where: short stacking energy: -15.592 Base-Backbone interact. energy: -0.001 local terms energy: -29.157555 where: bonds (distance) C4'-P energy: -5.129 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -5.901 flat angles P-C4'-P energy: -5.282 tors. eta vs tors. theta energy: -4.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -40.049564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.049564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.049564 (E_RNA) where: Base-Base interactions energy: -14.869 where: short stacking energy: -14.869 Base-Backbone interact. energy: -0.078 local terms energy: -25.102339 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -7.757 flat angles C4'-P-C4' energy: -7.691 flat angles P-C4'-P energy: -2.222 tors. eta vs tors. theta energy: -0.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -47.327210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.327210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.327210 (E_RNA) where: Base-Base interactions energy: -16.318 where: short stacking energy: -12.424 Base-Backbone interact. energy: -0.001 local terms energy: -31.008678 where: bonds (distance) C4'-P energy: -6.363 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -5.816 flat angles P-C4'-P energy: -6.170 tors. eta vs tors. theta energy: -4.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -69.125283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.125283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.125283 (E_RNA) where: Base-Base interactions energy: -33.085 where: short stacking energy: -33.085 Base-Backbone interact. energy: -0.000 local terms energy: -36.040179 where: bonds (distance) C4'-P energy: -6.059 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.439 flat angles P-C4'-P energy: -6.646 tors. eta vs tors. theta energy: -8.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -56.602866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.602866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.602866 (E_RNA) where: Base-Base interactions energy: -23.830 where: short stacking energy: -23.830 Base-Backbone interact. energy: -0.009 local terms energy: -32.764252 where: bonds (distance) C4'-P energy: -4.968 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -9.356 flat angles P-C4'-P energy: -5.607 tors. eta vs tors. theta energy: -4.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -59.463826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.463826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.463826 (E_RNA) where: Base-Base interactions energy: -25.816 where: short stacking energy: -25.816 Base-Backbone interact. energy: -0.022 local terms energy: -33.625380 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.696 flat angles P-C4'-P energy: -2.654 tors. eta vs tors. theta energy: -8.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -48.365983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.365983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.365983 (E_RNA) where: Base-Base interactions energy: -21.551 where: short stacking energy: -18.519 Base-Backbone interact. energy: -0.144 local terms energy: -26.671183 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -7.567 flat angles P-C4'-P energy: -3.159 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: 5, replica: 9 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -49.362932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.362932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.362932 (E_RNA) where: Base-Base interactions energy: -21.450 where: short stacking energy: -21.450 Base-Backbone interact. energy: 0.269 local terms energy: -28.182037 where: bonds (distance) C4'-P energy: -3.833 bonds (distance) P-C4' energy: -7.597 flat angles C4'-P-C4' energy: -7.863 flat angles P-C4'-P energy: -4.780 tors. eta vs tors. theta energy: -4.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -62.419493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.419493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.419493 (E_RNA) where: Base-Base interactions energy: -30.144 where: short stacking energy: -23.984 Base-Backbone interact. energy: -0.004 local terms energy: -32.271039 where: bonds (distance) C4'-P energy: -5.244 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.903 flat angles P-C4'-P energy: -6.123 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: 7, replica: 10 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -49.040940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.040940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.040940 (E_RNA) where: Base-Base interactions energy: -22.840 where: short stacking energy: -22.840 Base-Backbone interact. energy: -0.003 local terms energy: -26.198625 where: bonds (distance) C4'-P energy: -2.640 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -7.444 flat angles P-C4'-P energy: -1.271 tors. eta vs tors. theta energy: -6.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -43.421199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.421199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.421199 (E_RNA) where: Base-Base interactions energy: -13.515 where: short stacking energy: -13.515 Base-Backbone interact. energy: -0.009 local terms energy: -29.897115 where: bonds (distance) C4'-P energy: -5.431 bonds (distance) P-C4' energy: -8.548 flat angles C4'-P-C4' energy: -9.094 flat angles P-C4'-P energy: -6.410 tors. eta vs tors. theta energy: -0.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -41.251992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.251992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.251992 (E_RNA) where: Base-Base interactions energy: -15.611 where: short stacking energy: -15.611 Base-Backbone interact. energy: -0.096 local terms energy: -25.544833 where: bonds (distance) C4'-P energy: -5.373 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -6.178 flat angles P-C4'-P energy: -2.530 tors. eta vs tors. theta energy: -3.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -35.999308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.999308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.999308 (E_RNA) where: Base-Base interactions energy: -10.168 where: short stacking energy: -8.459 Base-Backbone interact. energy: -0.045 local terms energy: -25.786498 where: bonds (distance) C4'-P energy: -6.432 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.276 flat angles P-C4'-P energy: -2.892 tors. eta vs tors. theta energy: -0.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -61.542594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.542594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.542594 (E_RNA) where: Base-Base interactions energy: -26.262 where: short stacking energy: -26.262 Base-Backbone interact. energy: -0.099 local terms energy: -35.181254 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -7.646 flat angles C4'-P-C4' energy: -7.588 flat angles P-C4'-P energy: -4.433 tors. eta vs tors. theta energy: -7.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -67.661234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.661234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.661234 (E_RNA) where: Base-Base interactions energy: -35.179 where: short stacking energy: -22.962 Base-Backbone interact. energy: -0.011 local terms energy: -32.470420 where: bonds (distance) C4'-P energy: -6.569 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.892 flat angles P-C4'-P energy: -5.053 tors. eta vs tors. theta energy: -3.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -47.686075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.686075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.686075 (E_RNA) where: Base-Base interactions energy: -21.519 where: short stacking energy: -19.525 Base-Backbone interact. energy: -0.138 local terms energy: -26.028965 where: bonds (distance) C4'-P energy: -4.388 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.750 flat angles P-C4'-P energy: -3.009 tors. eta vs tors. theta energy: -2.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -55.023685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.023685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.023685 (E_RNA) where: Base-Base interactions energy: -23.282 where: short stacking energy: -23.282 Base-Backbone interact. energy: -0.000 local terms energy: -31.742013 where: bonds (distance) C4'-P energy: -6.868 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.665 flat angles P-C4'-P energy: -4.303 tors. eta vs tors. theta energy: -4.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -50.883160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.883160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.883160 (E_RNA) where: Base-Base interactions energy: -15.979 where: short stacking energy: -15.979 Base-Backbone interact. energy: -0.005 local terms energy: -34.899271 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -8.435 flat angles P-C4'-P energy: -1.833 tors. eta vs tors. theta energy: -7.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -49.931372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.931372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.931372 (E_RNA) where: Base-Base interactions energy: -25.218 where: short stacking energy: -19.368 Base-Backbone interact. energy: -0.104 local terms energy: -24.609301 where: bonds (distance) C4'-P energy: -6.457 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -6.174 flat angles P-C4'-P energy: -4.107 tors. eta vs tors. theta energy: 0.341 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: 7, replica: 8 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -51.836681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.836681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.836681 (E_RNA) where: Base-Base interactions energy: -17.036 where: short stacking energy: -17.036 Base-Backbone interact. energy: -0.014 local terms energy: -34.786641 where: bonds (distance) C4'-P energy: -5.695 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.202 flat angles P-C4'-P energy: -7.134 tors. eta vs tors. theta energy: -5.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -48.215521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.215521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.215521 (E_RNA) where: Base-Base interactions energy: -19.026 where: short stacking energy: -19.026 Base-Backbone interact. energy: -0.004 local terms energy: -29.185537 where: bonds (distance) C4'-P energy: -4.925 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -8.099 flat angles P-C4'-P energy: -3.087 tors. eta vs tors. theta energy: -5.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -41.914383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.914383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.914383 (E_RNA) where: Base-Base interactions energy: -18.906 where: short stacking energy: -18.906 Base-Backbone interact. energy: -0.099 local terms energy: -22.909549 where: bonds (distance) C4'-P energy: -2.873 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -6.057 flat angles P-C4'-P energy: -4.973 tors. eta vs tors. theta energy: -3.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -36.634931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.634931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.634931 (E_RNA) where: Base-Base interactions energy: -13.028 where: short stacking energy: -13.028 Base-Backbone interact. energy: -0.019 local terms energy: -23.587421 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -3.183 flat angles P-C4'-P energy: -2.668 tors. eta vs tors. theta energy: -1.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -70.087022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.087022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.087022 (E_RNA) where: Base-Base interactions energy: -30.599 where: short stacking energy: -30.599 Base-Backbone interact. energy: -0.000 local terms energy: -39.487927 where: bonds (distance) C4'-P energy: -6.581 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -8.106 flat angles P-C4'-P energy: -5.059 tors. eta vs tors. theta energy: -10.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -58.997169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.997169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.997169 (E_RNA) where: Base-Base interactions energy: -27.653 where: short stacking energy: -13.834 Base-Backbone interact. energy: -3.046 local terms energy: -28.298091 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -8.480 flat angles P-C4'-P energy: -4.464 tors. eta vs tors. theta energy: -2.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -56.011364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.011364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.011364 (E_RNA) where: Base-Base interactions energy: -25.854 where: short stacking energy: -24.057 Base-Backbone interact. energy: -0.024 local terms energy: -30.133058 where: bonds (distance) C4'-P energy: -6.852 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -5.113 flat angles P-C4'-P energy: -3.422 tors. eta vs tors. theta energy: -7.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -53.533124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.533124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.533124 (E_RNA) where: Base-Base interactions energy: -26.878 where: short stacking energy: -9.730 Base-Backbone interact. energy: -0.051 local terms energy: -26.603311 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -6.924 flat angles P-C4'-P energy: -6.853 tors. eta vs tors. theta energy: 1.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -53.043526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.043526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.043526 (E_RNA) where: Base-Base interactions energy: -18.540 where: short stacking energy: -18.540 Base-Backbone interact. energy: -0.001 local terms energy: -34.502330 where: bonds (distance) C4'-P energy: -8.180 bonds (distance) P-C4' energy: -8.244 flat angles C4'-P-C4' energy: -8.603 flat angles P-C4'-P energy: -4.228 tors. eta vs tors. theta energy: -5.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -51.863748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.863748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.863748 (E_RNA) where: Base-Base interactions energy: -21.334 where: short stacking energy: -21.334 Base-Backbone interact. energy: -0.052 local terms energy: -30.477693 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.959 flat angles P-C4'-P energy: -7.614 tors. eta vs tors. theta energy: -0.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -51.925409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.925409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.925409 (E_RNA) where: Base-Base interactions energy: -21.066 where: short stacking energy: -21.066 Base-Backbone interact. energy: -0.002 local terms energy: -30.857670 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -7.295 flat angles P-C4'-P energy: -2.950 tors. eta vs tors. theta energy: -3.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -47.907374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.907374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.907374 (E_RNA) where: Base-Base interactions energy: -19.768 where: short stacking energy: -19.768 Base-Backbone interact. energy: -0.001 local terms energy: -28.138459 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -7.290 flat angles C4'-P-C4' energy: -6.203 flat angles P-C4'-P energy: -6.373 tors. eta vs tors. theta energy: -2.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -53.864248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.864248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.864248 (E_RNA) where: Base-Base interactions energy: -23.899 where: short stacking energy: -23.899 Base-Backbone interact. energy: -0.001 local terms energy: -29.964961 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.869 flat angles P-C4'-P energy: -2.800 tors. eta vs tors. theta energy: -7.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -40.470921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.470921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.470921 (E_RNA) where: Base-Base interactions energy: -13.652 where: short stacking energy: -10.362 Base-Backbone interact. energy: -0.101 local terms energy: -26.717249 where: bonds (distance) C4'-P energy: -6.603 bonds (distance) P-C4' energy: -6.250 flat angles C4'-P-C4' energy: -8.749 flat angles P-C4'-P energy: -4.652 tors. eta vs tors. theta energy: -0.463 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: 1, replica: 1 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -68.247955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.247955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.247955 (E_RNA) where: Base-Base interactions energy: -28.523 where: short stacking energy: -28.523 Base-Backbone interact. energy: -0.000 local terms energy: -39.724980 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.150 flat angles P-C4'-P energy: -5.973 tors. eta vs tors. theta energy: -7.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -67.499387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.499387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.499387 (E_RNA) where: Base-Base interactions energy: -27.705 where: short stacking energy: -26.765 Base-Backbone interact. energy: -0.097 local terms energy: -39.697822 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -7.868 flat angles P-C4'-P energy: -6.746 tors. eta vs tors. theta energy: -6.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -59.540917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.540917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.540917 (E_RNA) where: Base-Base interactions energy: -27.495 where: short stacking energy: -27.495 Base-Backbone interact. energy: -0.000 local terms energy: -32.045640 where: bonds (distance) C4'-P energy: -6.433 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.869 flat angles P-C4'-P energy: -4.196 tors. eta vs tors. theta energy: -5.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -52.558024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.558024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.558024 (E_RNA) where: Base-Base interactions energy: -21.827 where: short stacking energy: -21.827 Base-Backbone interact. energy: 0.946 local terms energy: -31.676475 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -6.964 flat angles C4'-P-C4' energy: -5.082 flat angles P-C4'-P energy: -6.313 tors. eta vs tors. theta energy: -6.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -47.631114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.631114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.631114 (E_RNA) where: Base-Base interactions energy: -15.349 where: short stacking energy: -12.756 Base-Backbone interact. energy: -0.000 local terms energy: -32.282089 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -8.221 flat angles P-C4'-P energy: -4.095 tors. eta vs tors. theta energy: -3.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -48.830263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.830263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.830263 (E_RNA) where: Base-Base interactions energy: -17.855 where: short stacking energy: -17.855 Base-Backbone interact. energy: -0.003 local terms energy: -30.972506 where: bonds (distance) C4'-P energy: -4.720 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -8.129 flat angles P-C4'-P energy: -3.702 tors. eta vs tors. theta energy: -6.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -56.317007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.317007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.317007 (E_RNA) where: Base-Base interactions energy: -24.941 where: short stacking energy: -22.319 Base-Backbone interact. energy: -0.005 local terms energy: -31.370987 where: bonds (distance) C4'-P energy: -8.002 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -4.415 flat angles P-C4'-P energy: -4.518 tors. eta vs tors. theta energy: -5.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -41.542109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.542109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.542109 (E_RNA) where: Base-Base interactions energy: -15.734 where: short stacking energy: -11.326 Base-Backbone interact. energy: -0.145 local terms energy: -25.663036 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -7.757 flat angles P-C4'-P energy: -3.440 tors. eta vs tors. theta energy: 0.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -39.108390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.108390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.108390 (E_RNA) where: Base-Base interactions energy: -15.865 where: short stacking energy: -10.594 Base-Backbone interact. energy: -0.104 local terms energy: -23.139311 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -7.604 flat angles P-C4'-P energy: -1.735 tors. eta vs tors. theta energy: 1.122 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: 7 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -42.896400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.896400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.896400 (E_RNA) where: Base-Base interactions energy: -18.023 where: short stacking energy: -17.439 Base-Backbone interact. energy: 0.467 local terms energy: -25.341118 where: bonds (distance) C4'-P energy: -4.144 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -6.836 flat angles P-C4'-P energy: -2.883 tors. eta vs tors. theta energy: -3.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -69.820162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.820162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.820162 (E_RNA) where: Base-Base interactions energy: -31.170 where: short stacking energy: -31.170 Base-Backbone interact. energy: -0.026 local terms energy: -38.624258 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -7.703 flat angles P-C4'-P energy: -5.801 tors. eta vs tors. theta energy: -9.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -73.451553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.451553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.451553 (E_RNA) where: Base-Base interactions energy: -39.728 where: short stacking energy: -25.358 Base-Backbone interact. energy: -1.022 local terms energy: -32.701732 where: bonds (distance) C4'-P energy: -5.500 bonds (distance) P-C4' energy: -7.925 flat angles C4'-P-C4' energy: -8.250 flat angles P-C4'-P energy: -5.397 tors. eta vs tors. theta energy: -5.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -57.882147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.882147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.882147 (E_RNA) where: Base-Base interactions energy: -23.779 where: short stacking energy: -23.329 Base-Backbone interact. energy: -0.041 local terms energy: -34.062478 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -7.512 flat angles C4'-P-C4' energy: -7.069 flat angles P-C4'-P energy: -4.741 tors. eta vs tors. theta energy: -7.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -55.706567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.706567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.706567 (E_RNA) where: Base-Base interactions energy: -25.867 where: short stacking energy: -25.867 Base-Backbone interact. energy: -0.100 local terms energy: -29.739965 where: bonds (distance) C4'-P energy: -7.455 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -6.872 flat angles P-C4'-P energy: -3.055 tors. eta vs tors. theta energy: -5.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -70.809371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.809371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.809371 (E_RNA) where: Base-Base interactions energy: -39.873 where: short stacking energy: -28.724 Base-Backbone interact. energy: -0.001 local terms energy: -30.935974 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -5.290 flat angles C4'-P-C4' energy: -6.198 flat angles P-C4'-P energy: -4.494 tors. eta vs tors. theta energy: -6.281 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: 2 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -50.249897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.249897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.249897 (E_RNA) where: Base-Base interactions energy: -18.994 where: short stacking energy: -18.994 Base-Backbone interact. energy: -0.032 local terms energy: -31.223201 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -8.240 flat angles C4'-P-C4' energy: -9.337 flat angles P-C4'-P energy: -2.534 tors. eta vs tors. theta energy: -5.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -49.995200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.995200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.995200 (E_RNA) where: Base-Base interactions energy: -20.804 where: short stacking energy: -20.804 Base-Backbone interact. energy: -0.003 local terms energy: -29.188184 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -5.899 flat angles C4'-P-C4' energy: -7.013 flat angles P-C4'-P energy: -5.884 tors. eta vs tors. theta energy: -4.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -49.451969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.451969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.451969 (E_RNA) where: Base-Base interactions energy: -20.799 where: short stacking energy: -20.799 Base-Backbone interact. energy: -0.048 local terms energy: -28.605683 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.286 flat angles P-C4'-P energy: -3.663 tors. eta vs tors. theta energy: -1.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -41.102942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.102942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.102942 (E_RNA) where: Base-Base interactions energy: -11.413 where: short stacking energy: -11.413 Base-Backbone interact. energy: -0.450 local terms energy: -29.240218 where: bonds (distance) C4'-P energy: -4.648 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.847 flat angles P-C4'-P energy: -5.729 tors. eta vs tors. theta energy: -2.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -47.294385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.294385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.294385 (E_RNA) where: Base-Base interactions energy: -20.102 where: short stacking energy: -19.858 Base-Backbone interact. energy: -0.016 local terms energy: -27.176304 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -2.858 flat angles P-C4'-P energy: -5.610 tors. eta vs tors. theta energy: -2.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -60.614208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.614208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.614208 (E_RNA) where: Base-Base interactions energy: -29.083 where: short stacking energy: -23.466 Base-Backbone interact. energy: -0.025 local terms energy: -31.505819 where: bonds (distance) C4'-P energy: -6.586 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.871 flat angles P-C4'-P energy: -4.679 tors. eta vs tors. theta energy: -4.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -73.184228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.184228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.184228 (E_RNA) where: Base-Base interactions energy: -41.490 where: short stacking energy: -25.403 Base-Backbone interact. energy: -0.000 local terms energy: -31.694089 where: bonds (distance) C4'-P energy: -5.609 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -8.078 flat angles P-C4'-P energy: -3.739 tors. eta vs tors. theta energy: -5.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -56.091338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.091338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.091338 (E_RNA) where: Base-Base interactions energy: -26.216 where: short stacking energy: -25.767 Base-Backbone interact. energy: -0.002 local terms energy: -29.873229 where: bonds (distance) C4'-P energy: -6.813 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.146 flat angles P-C4'-P energy: -5.977 tors. eta vs tors. theta energy: -5.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -53.144855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.144855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.144855 (E_RNA) where: Base-Base interactions energy: -23.987 where: short stacking energy: -23.987 Base-Backbone interact. energy: -0.002 local terms energy: -29.156360 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -2.299 flat angles P-C4'-P energy: -4.652 tors. eta vs tors. theta energy: -8.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -49.356658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.356658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.356658 (E_RNA) where: Base-Base interactions energy: -17.761 where: short stacking energy: -17.761 Base-Backbone interact. energy: -0.002 local terms energy: -31.593801 where: bonds (distance) C4'-P energy: -6.442 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -6.817 flat angles P-C4'-P energy: -4.007 tors. eta vs tors. theta energy: -5.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -49.240234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.240234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.240234 (E_RNA) where: Base-Base interactions energy: -20.009 where: short stacking energy: -20.009 Base-Backbone interact. energy: -0.054 local terms energy: -29.177801 where: bonds (distance) C4'-P energy: -6.558 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -4.327 flat angles P-C4'-P energy: -4.974 tors. eta vs tors. theta energy: -5.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -42.240550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.240550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.240550 (E_RNA) where: Base-Base interactions energy: -17.929 where: short stacking energy: -17.929 Base-Backbone interact. energy: -0.056 local terms energy: -24.255605 where: bonds (distance) C4'-P energy: -4.417 bonds (distance) P-C4' energy: -5.929 flat angles C4'-P-C4' energy: -6.745 flat angles P-C4'-P energy: -6.849 tors. eta vs tors. theta energy: -0.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -43.982332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.982332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.982332 (E_RNA) where: Base-Base interactions energy: -17.562 where: short stacking energy: -11.830 Base-Backbone interact. energy: -0.010 local terms energy: -26.410111 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -4.453 flat angles P-C4'-P energy: -4.667 tors. eta vs tors. theta energy: -1.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -48.418202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.418202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.418202 (E_RNA) where: Base-Base interactions energy: -14.615 where: short stacking energy: -11.141 Base-Backbone interact. energy: -0.670 local terms energy: -33.132886 where: bonds (distance) C4'-P energy: -6.835 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.854 flat angles P-C4'-P energy: -7.115 tors. eta vs tors. theta energy: -2.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -40.415642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.415642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.415642 (E_RNA) where: Base-Base interactions energy: -17.221 where: short stacking energy: -15.072 Base-Backbone interact. energy: -0.000 local terms energy: -23.194243 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -6.788 flat angles P-C4'-P energy: -1.811 tors. eta vs tors. theta energy: 0.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -74.175557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.175557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.175557 (E_RNA) where: Base-Base interactions energy: -37.517 where: short stacking energy: -23.940 Base-Backbone interact. energy: -0.053 local terms energy: -36.605514 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -8.812 flat angles C4'-P-C4' energy: -8.155 flat angles P-C4'-P energy: -5.568 tors. eta vs tors. theta energy: -7.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -55.566300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.566300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.566300 (E_RNA) where: Base-Base interactions energy: -29.393 where: short stacking energy: -21.124 Base-Backbone interact. energy: -0.078 local terms energy: -26.094550 where: bonds (distance) C4'-P energy: -5.957 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -5.670 flat angles P-C4'-P energy: -4.464 tors. eta vs tors. theta energy: -1.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -60.529164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.529164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.529164 (E_RNA) where: Base-Base interactions energy: -23.368 where: short stacking energy: -23.368 Base-Backbone interact. energy: -0.001 local terms energy: -37.159534 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.777 flat angles C4'-P-C4' energy: -8.968 flat angles P-C4'-P energy: -4.760 tors. eta vs tors. theta energy: -5.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -62.576275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.576275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.576275 (E_RNA) where: Base-Base interactions energy: -26.197 where: short stacking energy: -26.197 Base-Backbone interact. energy: -0.000 local terms energy: -36.379188 where: bonds (distance) C4'-P energy: -7.552 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -5.796 flat angles P-C4'-P energy: -4.912 tors. eta vs tors. theta energy: -9.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -54.631004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.631004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.631004 (E_RNA) where: Base-Base interactions energy: -20.594 where: short stacking energy: -17.965 Base-Backbone interact. energy: -0.013 local terms energy: -34.023618 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -8.557 flat angles P-C4'-P energy: -4.448 tors. eta vs tors. theta energy: -3.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -47.426019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.426019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.426019 (E_RNA) where: Base-Base interactions energy: -20.275 where: short stacking energy: -15.442 Base-Backbone interact. energy: -0.002 local terms energy: -27.148914 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -8.085 flat angles P-C4'-P energy: -2.062 tors. eta vs tors. theta energy: -0.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -41.891360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.891360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.891360 (E_RNA) where: Base-Base interactions energy: -12.351 where: short stacking energy: -7.200 Base-Backbone interact. energy: -0.151 local terms energy: -29.389242 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -7.654 flat angles P-C4'-P energy: -4.591 tors. eta vs tors. theta energy: -0.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -53.857465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.857465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.857465 (E_RNA) where: Base-Base interactions energy: -24.812 where: short stacking energy: -10.941 Base-Backbone interact. energy: -0.108 local terms energy: -28.936513 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.947 flat angles C4'-P-C4' energy: -4.090 flat angles P-C4'-P energy: -4.001 tors. eta vs tors. theta energy: -4.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -50.072513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.072513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.072513 (E_RNA) where: Base-Base interactions energy: -23.952 where: short stacking energy: -23.952 Base-Backbone interact. energy: -0.093 local terms energy: -26.027034 where: bonds (distance) C4'-P energy: -5.423 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -5.503 flat angles P-C4'-P energy: -2.139 tors. eta vs tors. theta energy: -5.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -41.122002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.122002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.122002 (E_RNA) where: Base-Base interactions energy: -13.164 where: short stacking energy: -10.459 Base-Backbone interact. energy: -0.241 local terms energy: -27.717037 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -3.502 tors. eta vs tors. theta energy: -2.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -75.684081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.684081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.684081 (E_RNA) where: Base-Base interactions energy: -42.171 where: short stacking energy: -22.757 Base-Backbone interact. energy: -0.092 local terms energy: -33.420880 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -7.863 flat angles P-C4'-P energy: -5.969 tors. eta vs tors. theta energy: -4.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -61.127906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.127906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.127906 (E_RNA) where: Base-Base interactions energy: -24.779 where: short stacking energy: -24.779 Base-Backbone interact. energy: -0.190 local terms energy: -36.159222 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -7.806 flat angles P-C4'-P energy: -6.518 tors. eta vs tors. theta energy: -7.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -55.409276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.409276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.409276 (E_RNA) where: Base-Base interactions energy: -22.008 where: short stacking energy: -22.008 Base-Backbone interact. energy: -0.038 local terms energy: -33.363086 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -7.830 flat angles C4'-P-C4' energy: -8.484 flat angles P-C4'-P energy: -5.842 tors. eta vs tors. theta energy: -3.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -50.977330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.977330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.977330 (E_RNA) where: Base-Base interactions energy: -22.500 where: short stacking energy: -17.114 Base-Backbone interact. energy: -0.007 local terms energy: -28.470786 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -7.035 flat angles P-C4'-P energy: -2.983 tors. eta vs tors. theta energy: -2.463 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: 2 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -63.470532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.470532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.470532 (E_RNA) where: Base-Base interactions energy: -31.386 where: short stacking energy: -18.202 Base-Backbone interact. energy: -0.042 local terms energy: -32.042586 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -6.290 flat angles C4'-P-C4' energy: -7.242 flat angles P-C4'-P energy: -4.984 tors. eta vs tors. theta energy: -6.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -39.962626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.962626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.962626 (E_RNA) where: Base-Base interactions energy: -11.363 where: short stacking energy: -11.363 Base-Backbone interact. energy: -0.144 local terms energy: -28.456053 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -6.233 flat angles P-C4'-P energy: -4.475 tors. eta vs tors. theta energy: -0.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -52.302359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.302359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.302359 (E_RNA) where: Base-Base interactions energy: -18.920 where: short stacking energy: -18.920 Base-Backbone interact. energy: -0.042 local terms energy: -33.339959 where: bonds (distance) C4'-P energy: -7.461 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -7.481 flat angles P-C4'-P energy: -4.408 tors. eta vs tors. theta energy: -6.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -44.448502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.448502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.448502 (E_RNA) where: Base-Base interactions energy: -16.924 where: short stacking energy: -14.275 Base-Backbone interact. energy: 0.487 local terms energy: -28.011665 where: bonds (distance) C4'-P energy: -7.187 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -6.210 flat angles P-C4'-P energy: -6.922 tors. eta vs tors. theta energy: 0.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -42.846424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.846424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.846424 (E_RNA) where: Base-Base interactions energy: -15.329 where: short stacking energy: -14.382 Base-Backbone interact. energy: 0.861 local terms energy: -28.378665 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -8.072 flat angles C4'-P-C4' energy: -5.876 flat angles P-C4'-P energy: -3.422 tors. eta vs tors. theta energy: -4.302 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: 9 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -46.141042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.141042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.141042 (E_RNA) where: Base-Base interactions energy: -16.343 where: short stacking energy: -15.289 Base-Backbone interact. energy: -0.097 local terms energy: -29.701089 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.254 flat angles P-C4'-P energy: -4.424 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: 1, replica: 4 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -75.502342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.502342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.502342 (E_RNA) where: Base-Base interactions energy: -38.366 where: short stacking energy: -27.214 Base-Backbone interact. energy: -0.021 local terms energy: -37.115724 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.870 flat angles P-C4'-P energy: -7.154 tors. eta vs tors. theta energy: -8.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -73.154623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.154623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.154623 (E_RNA) where: Base-Base interactions energy: -31.496 where: short stacking energy: -23.966 Base-Backbone interact. energy: -0.000 local terms energy: -41.658105 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -8.382 flat angles P-C4'-P energy: -4.778 tors. eta vs tors. theta energy: -9.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -60.405468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.405468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.405468 (E_RNA) where: Base-Base interactions energy: -27.045 where: short stacking energy: -27.045 Base-Backbone interact. energy: -0.070 local terms energy: -33.289837 where: bonds (distance) C4'-P energy: -2.840 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.647 flat angles P-C4'-P energy: -6.178 tors. eta vs tors. theta energy: -7.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -63.476841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.476841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.476841 (E_RNA) where: Base-Base interactions energy: -32.434 where: short stacking energy: -21.264 Base-Backbone interact. energy: -0.099 local terms energy: -30.943700 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -8.882 flat angles P-C4'-P energy: -4.473 tors. eta vs tors. theta energy: -2.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -47.189170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.189170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.189170 (E_RNA) where: Base-Base interactions energy: -16.131 where: short stacking energy: -16.131 Base-Backbone interact. energy: -0.384 local terms energy: -30.673979 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -6.678 flat angles P-C4'-P energy: -4.988 tors. eta vs tors. theta energy: -3.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -53.305245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.305245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.305245 (E_RNA) where: Base-Base interactions energy: -22.762 where: short stacking energy: -17.025 Base-Backbone interact. energy: -0.336 local terms energy: -30.206706 where: bonds (distance) C4'-P energy: -6.636 bonds (distance) P-C4' energy: -6.867 flat angles C4'-P-C4' energy: -6.554 flat angles P-C4'-P energy: -5.245 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: 7, replica: 6 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -42.055215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.055215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.055215 (E_RNA) where: Base-Base interactions energy: -14.334 where: short stacking energy: -14.334 Base-Backbone interact. energy: -0.085 local terms energy: -27.636401 where: bonds (distance) C4'-P energy: -5.042 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -7.195 flat angles P-C4'-P energy: -4.079 tors. eta vs tors. theta energy: -1.502 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: 443 Temperature: 1.250000 Total energy: -47.779188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.779188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.779188 (E_RNA) where: Base-Base interactions energy: -19.371 where: short stacking energy: -19.371 Base-Backbone interact. energy: -0.000 local terms energy: -28.407824 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -6.329 flat angles P-C4'-P energy: -5.611 tors. eta vs tors. theta energy: -4.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -42.901755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.901755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.901755 (E_RNA) where: Base-Base interactions energy: -15.253 where: short stacking energy: -8.311 Base-Backbone interact. energy: -0.130 local terms energy: -27.518409 where: bonds (distance) C4'-P energy: -7.555 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.086 flat angles P-C4'-P energy: -1.913 tors. eta vs tors. theta energy: -2.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -48.424205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.424205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.424205 (E_RNA) where: Base-Base interactions energy: -24.410 where: short stacking energy: -7.340 Base-Backbone interact. energy: -1.061 local terms energy: -22.952804 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.294 flat angles C4'-P-C4' energy: -6.465 flat angles P-C4'-P energy: -4.740 tors. eta vs tors. theta energy: 0.590 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: 1, replica: 3 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -68.706840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.706840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.706840 (E_RNA) where: Base-Base interactions energy: -37.824 where: short stacking energy: -32.922 Base-Backbone interact. energy: -0.006 local terms energy: -30.877136 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -7.661 flat angles C4'-P-C4' energy: -7.305 flat angles P-C4'-P energy: -2.108 tors. eta vs tors. theta energy: -6.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -69.234806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.234806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.234806 (E_RNA) where: Base-Base interactions energy: -28.321 where: short stacking energy: -28.321 Base-Backbone interact. energy: -0.000 local terms energy: -40.913579 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -6.826 flat angles P-C4'-P energy: -5.949 tors. eta vs tors. theta energy: -10.004 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: 3, replica: 2 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -67.935145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.935145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.935145 (E_RNA) where: Base-Base interactions energy: -29.458 where: short stacking energy: -23.714 Base-Backbone interact. energy: -1.196 local terms energy: -37.281087 where: bonds (distance) C4'-P energy: -7.729 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -8.966 flat angles P-C4'-P energy: -4.110 tors. eta vs tors. theta energy: -7.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -55.307213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.307213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.307213 (E_RNA) where: Base-Base interactions energy: -20.848 where: short stacking energy: -19.918 Base-Backbone interact. energy: -0.090 local terms energy: -34.368979 where: bonds (distance) C4'-P energy: -6.793 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -8.102 flat angles P-C4'-P energy: -6.983 tors. eta vs tors. theta energy: -4.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -62.390213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.390213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.390213 (E_RNA) where: Base-Base interactions energy: -27.770 where: short stacking energy: -27.770 Base-Backbone interact. energy: -0.000 local terms energy: -34.620495 where: bonds (distance) C4'-P energy: -4.057 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.532 flat angles P-C4'-P energy: -4.266 tors. eta vs tors. theta energy: -10.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -51.450545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.450545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.450545 (E_RNA) where: Base-Base interactions energy: -24.153 where: short stacking energy: -19.282 Base-Backbone interact. energy: -0.396 local terms energy: -26.901479 where: bonds (distance) C4'-P energy: -3.879 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.733 flat angles P-C4'-P energy: -5.403 tors. eta vs tors. theta energy: -1.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -51.298815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.298815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.298815 (E_RNA) where: Base-Base interactions energy: -20.576 where: short stacking energy: -20.576 Base-Backbone interact. energy: 1.078 local terms energy: -31.800466 where: bonds (distance) C4'-P energy: -6.850 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -4.995 flat angles P-C4'-P energy: -5.253 tors. eta vs tors. theta energy: -6.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -52.576050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.576050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.576050 (E_RNA) where: Base-Base interactions energy: -24.172 where: short stacking energy: -19.874 Base-Backbone interact. energy: -0.090 local terms energy: -28.314770 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -8.351 flat angles P-C4'-P energy: -4.940 tors. eta vs tors. theta energy: -2.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -48.440702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.440702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.440702 (E_RNA) where: Base-Base interactions energy: -18.622 where: short stacking energy: -18.622 Base-Backbone interact. energy: -0.003 local terms energy: -29.816463 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -7.212 flat angles P-C4'-P energy: -4.710 tors. eta vs tors. theta energy: -3.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -41.647557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.647557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.647557 (E_RNA) where: Base-Base interactions energy: -13.499 where: short stacking energy: -12.373 Base-Backbone interact. energy: -0.002 local terms energy: -28.146703 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -7.454 flat angles P-C4'-P energy: -2.068 tors. eta vs tors. theta energy: -2.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -71.459104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.459104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.459104 (E_RNA) where: Base-Base interactions energy: -34.379 where: short stacking energy: -34.025 Base-Backbone interact. energy: -0.001 local terms energy: -37.079380 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -6.119 flat angles P-C4'-P energy: -5.848 tors. eta vs tors. theta energy: -9.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -70.762402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.762402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.762402 (E_RNA) where: Base-Base interactions energy: -30.918 where: short stacking energy: -30.918 Base-Backbone interact. energy: -0.000 local terms energy: -39.844804 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -8.863 flat angles C4'-P-C4' energy: -9.204 flat angles P-C4'-P energy: -4.214 tors. eta vs tors. theta energy: -9.807 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: 2 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -66.693374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.693374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.693374 (E_RNA) where: Base-Base interactions energy: -33.159 where: short stacking energy: -23.423 Base-Backbone interact. energy: -0.111 local terms energy: -33.424135 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -8.735 flat angles P-C4'-P energy: -5.857 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: 4, replica: 10 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -56.898847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.898847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.898847 (E_RNA) where: Base-Base interactions energy: -24.149 where: short stacking energy: -24.149 Base-Backbone interact. energy: -0.077 local terms energy: -32.672817 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -8.284 flat angles P-C4'-P energy: -3.086 tors. eta vs tors. theta energy: -5.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -73.175133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.175133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.175133 (E_RNA) where: Base-Base interactions energy: -37.744 where: short stacking energy: -23.871 Base-Backbone interact. energy: -0.029 local terms energy: -35.402965 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.948 flat angles P-C4'-P energy: -6.244 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: 6, replica: 8 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -58.468213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.468213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.468213 (E_RNA) where: Base-Base interactions energy: -22.763 where: short stacking energy: -22.763 Base-Backbone interact. energy: -0.000 local terms energy: -35.705524 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.817 flat angles P-C4'-P energy: -6.046 tors. eta vs tors. theta energy: -5.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -47.267649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.267649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.267649 (E_RNA) where: Base-Base interactions energy: -18.047 where: short stacking energy: -18.047 Base-Backbone interact. energy: -0.002 local terms energy: -29.218166 where: bonds (distance) C4'-P energy: -6.313 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -6.114 flat angles P-C4'-P energy: -4.757 tors. eta vs tors. theta energy: -3.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -48.729360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.729360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.729360 (E_RNA) where: Base-Base interactions energy: -19.676 where: short stacking energy: -19.676 Base-Backbone interact. energy: -0.022 local terms energy: -29.030611 where: bonds (distance) C4'-P energy: -7.422 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -7.824 flat angles P-C4'-P energy: -4.160 tors. eta vs tors. theta energy: -0.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -41.716440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.716440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.716440 (E_RNA) where: Base-Base interactions energy: -11.640 where: short stacking energy: -11.640 Base-Backbone interact. energy: -0.005 local terms energy: -30.070953 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -4.718 flat angles C4'-P-C4' energy: -8.168 flat angles P-C4'-P energy: -4.919 tors. eta vs tors. theta energy: -3.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -40.390918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.390918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.390918 (E_RNA) where: Base-Base interactions energy: -16.552 where: short stacking energy: -16.064 Base-Backbone interact. energy: -0.147 local terms energy: -23.691442 where: bonds (distance) C4'-P energy: -7.198 bonds (distance) P-C4' energy: -4.311 flat angles C4'-P-C4' energy: -7.361 flat angles P-C4'-P energy: -5.874 tors. eta vs tors. theta energy: 1.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -69.714464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.714464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.714464 (E_RNA) where: Base-Base interactions energy: -35.928 where: short stacking energy: -26.997 Base-Backbone interact. energy: -0.000 local terms energy: -33.786740 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -6.821 flat angles P-C4'-P energy: -5.760 tors. eta vs tors. theta energy: -7.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -57.049259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.049259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.049259 (E_RNA) where: Base-Base interactions energy: -25.225 where: short stacking energy: -21.523 Base-Backbone interact. energy: -0.005 local terms energy: -31.818998 where: bonds (distance) C4'-P energy: -6.963 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -4.711 flat angles P-C4'-P energy: -6.227 tors. eta vs tors. theta energy: -4.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -63.327347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.327347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.327347 (E_RNA) where: Base-Base interactions energy: -35.167 where: short stacking energy: -21.467 Base-Backbone interact. energy: -0.028 local terms energy: -28.131960 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -5.266 flat angles C4'-P-C4' energy: -6.601 flat angles P-C4'-P energy: -5.300 tors. eta vs tors. theta energy: -3.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -58.563850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.563850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.563850 (E_RNA) where: Base-Base interactions energy: -28.078 where: short stacking energy: -28.114 Base-Backbone interact. energy: -0.017 local terms energy: -30.468673 where: bonds (distance) C4'-P energy: -4.453 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -7.659 flat angles P-C4'-P energy: -2.267 tors. eta vs tors. theta energy: -6.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -57.470690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.470690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.470690 (E_RNA) where: Base-Base interactions energy: -22.942 where: short stacking energy: -22.942 Base-Backbone interact. energy: 0.668 local terms energy: -35.197039 where: bonds (distance) C4'-P energy: -7.935 bonds (distance) P-C4' energy: -7.432 flat angles C4'-P-C4' energy: -8.854 flat angles P-C4'-P energy: -5.626 tors. eta vs tors. theta energy: -5.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -47.596425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.596425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.596425 (E_RNA) where: Base-Base interactions energy: -16.471 where: short stacking energy: -16.471 Base-Backbone interact. energy: -0.438 local terms energy: -30.687312 where: bonds (distance) C4'-P energy: -4.198 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -6.560 flat angles P-C4'-P energy: -7.509 tors. eta vs tors. theta energy: -3.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -56.995357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.995357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.995357 (E_RNA) where: Base-Base interactions energy: -23.151 where: short stacking energy: -23.151 Base-Backbone interact. energy: -0.001 local terms energy: -33.842593 where: bonds (distance) C4'-P energy: -5.957 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -7.497 flat angles P-C4'-P energy: -6.133 tors. eta vs tors. theta energy: -7.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -44.066913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.066913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.066913 (E_RNA) where: Base-Base interactions energy: -14.483 where: short stacking energy: -14.483 Base-Backbone interact. energy: -0.041 local terms energy: -29.542855 where: bonds (distance) C4'-P energy: -6.271 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -6.941 flat angles P-C4'-P energy: -5.686 tors. eta vs tors. theta energy: -2.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -40.611677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.611677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.611677 (E_RNA) where: Base-Base interactions energy: -11.718 where: short stacking energy: -11.718 Base-Backbone interact. energy: -0.002 local terms energy: -28.891460 where: bonds (distance) C4'-P energy: -3.455 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.540 flat angles P-C4'-P energy: -5.266 tors. eta vs tors. theta energy: -2.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -45.585583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.585583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.585583 (E_RNA) where: Base-Base interactions energy: -18.398 where: short stacking energy: -18.398 Base-Backbone interact. energy: -0.002 local terms energy: -27.185744 where: bonds (distance) C4'-P energy: -2.967 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -6.718 tors. eta vs tors. theta energy: -2.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -69.827136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.827136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.827136 (E_RNA) where: Base-Base interactions energy: -37.252 where: short stacking energy: -18.338 Base-Backbone interact. energy: -0.096 local terms energy: -32.479500 where: bonds (distance) C4'-P energy: -6.442 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -8.040 flat angles P-C4'-P energy: -5.401 tors. eta vs tors. theta energy: -3.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -68.578460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.578460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.578460 (E_RNA) where: Base-Base interactions energy: -32.645 where: short stacking energy: -32.645 Base-Backbone interact. energy: -0.014 local terms energy: -35.918702 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -8.890 flat angles C4'-P-C4' energy: -7.078 flat angles P-C4'-P energy: -5.318 tors. eta vs tors. theta energy: -7.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -60.959272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.959272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.959272 (E_RNA) where: Base-Base interactions energy: -27.986 where: short stacking energy: -27.839 Base-Backbone interact. energy: -0.099 local terms energy: -32.874883 where: bonds (distance) C4'-P energy: -5.612 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -7.830 flat angles P-C4'-P energy: -5.150 tors. eta vs tors. theta energy: -5.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -53.852649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.852649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.852649 (E_RNA) where: Base-Base interactions energy: -21.015 where: short stacking energy: -13.906 Base-Backbone interact. energy: -0.098 local terms energy: -32.739576 where: bonds (distance) C4'-P energy: -7.716 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -8.764 flat angles P-C4'-P energy: -4.892 tors. eta vs tors. theta energy: -2.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -52.816413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.816413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.816413 (E_RNA) where: Base-Base interactions energy: -20.983 where: short stacking energy: -20.364 Base-Backbone interact. energy: -0.082 local terms energy: -31.751878 where: bonds (distance) C4'-P energy: -7.989 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -6.766 flat angles P-C4'-P energy: -6.448 tors. eta vs tors. theta energy: -1.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -47.975218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.975218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.975218 (E_RNA) where: Base-Base interactions energy: -18.917 where: short stacking energy: -18.917 Base-Backbone interact. energy: -0.003 local terms energy: -29.055262 where: bonds (distance) C4'-P energy: -6.036 bonds (distance) P-C4' energy: -7.646 flat angles C4'-P-C4' energy: -5.670 flat angles P-C4'-P energy: -3.880 tors. eta vs tors. theta energy: -5.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -52.439084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.439084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.439084 (E_RNA) where: Base-Base interactions energy: -19.601 where: short stacking energy: -19.601 Base-Backbone interact. energy: -0.046 local terms energy: -32.792614 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.408 flat angles P-C4'-P energy: -6.297 tors. eta vs tors. theta energy: -3.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -46.232029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.232029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.232029 (E_RNA) where: Base-Base interactions energy: -18.186 where: short stacking energy: -18.186 Base-Backbone interact. energy: -0.198 local terms energy: -27.847442 where: bonds (distance) C4'-P energy: -6.850 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -7.956 flat angles P-C4'-P energy: -2.406 tors. eta vs tors. theta energy: -2.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -42.396333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.396333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.396333 (E_RNA) where: Base-Base interactions energy: -13.575 where: short stacking energy: -13.575 Base-Backbone interact. energy: -0.017 local terms energy: -28.804473 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -5.458 flat angles P-C4'-P energy: -4.609 tors. eta vs tors. theta energy: -3.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -40.164579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.164579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.164579 (E_RNA) where: Base-Base interactions energy: -12.805 where: short stacking energy: -11.777 Base-Backbone interact. energy: -0.038 local terms energy: -27.321542 where: bonds (distance) C4'-P energy: -6.843 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -3.084 flat angles P-C4'-P energy: -5.351 tors. eta vs tors. theta energy: -2.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -64.449305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.449305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.449305 (E_RNA) where: Base-Base interactions energy: -30.343 where: short stacking energy: -22.993 Base-Backbone interact. energy: -0.012 local terms energy: -34.093731 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -8.006 flat angles P-C4'-P energy: -6.394 tors. eta vs tors. theta energy: -4.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -78.296759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.296759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.296759 (E_RNA) where: Base-Base interactions energy: -42.692 where: short stacking energy: -25.597 Base-Backbone interact. energy: -0.023 local terms energy: -35.582100 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -9.498 flat angles P-C4'-P energy: -5.470 tors. eta vs tors. theta energy: -3.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -52.189378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.189378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.189378 (E_RNA) where: Base-Base interactions energy: -19.467 where: short stacking energy: -19.467 Base-Backbone interact. energy: -0.106 local terms energy: -32.616333 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -8.024 flat angles P-C4'-P energy: -2.795 tors. eta vs tors. theta energy: -5.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -65.681353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.681353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.681353 (E_RNA) where: Base-Base interactions energy: -31.523 where: short stacking energy: -31.523 Base-Backbone interact. energy: -0.000 local terms energy: -34.158620 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -5.927 flat angles P-C4'-P energy: -4.881 tors. eta vs tors. theta energy: -9.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -52.186071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.186071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.186071 (E_RNA) where: Base-Base interactions energy: -19.599 where: short stacking energy: -19.599 Base-Backbone interact. energy: -0.001 local terms energy: -32.586638 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.477 flat angles P-C4'-P energy: -4.620 tors. eta vs tors. theta energy: -2.700 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: 6, replica: 2 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -51.793663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.793663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.793663 (E_RNA) where: Base-Base interactions energy: -21.898 where: short stacking energy: -21.898 Base-Backbone interact. energy: -0.000 local terms energy: -29.895575 where: bonds (distance) C4'-P energy: -2.928 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -8.131 flat angles P-C4'-P energy: -3.983 tors. eta vs tors. theta energy: -5.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -49.521114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.521114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.521114 (E_RNA) where: Base-Base interactions energy: -17.815 where: short stacking energy: -17.815 Base-Backbone interact. energy: -0.001 local terms energy: -31.705182 where: bonds (distance) C4'-P energy: -7.328 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -6.554 flat angles P-C4'-P energy: -5.033 tors. eta vs tors. theta energy: -5.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -42.370972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.370972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.370972 (E_RNA) where: Base-Base interactions energy: -20.927 where: short stacking energy: -20.927 Base-Backbone interact. energy: -0.019 local terms energy: -21.424277 where: bonds (distance) C4'-P energy: -3.886 bonds (distance) P-C4' energy: -6.815 flat angles C4'-P-C4' energy: -4.997 flat angles P-C4'-P energy: -1.824 tors. eta vs tors. theta energy: -3.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -48.672160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.672160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.672160 (E_RNA) where: Base-Base interactions energy: -16.971 where: short stacking energy: -16.971 Base-Backbone interact. energy: -0.003 local terms energy: -31.698324 where: bonds (distance) C4'-P energy: -7.331 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -7.728 flat angles P-C4'-P energy: -3.749 tors. eta vs tors. theta energy: -4.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -42.126397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.126397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.126397 (E_RNA) where: Base-Base interactions energy: -13.929 where: short stacking energy: -13.929 Base-Backbone interact. energy: -0.222 local terms energy: -27.974806 where: bonds (distance) C4'-P energy: -7.927 bonds (distance) P-C4' energy: -6.637 flat angles C4'-P-C4' energy: -6.086 flat angles P-C4'-P energy: -4.319 tors. eta vs tors. theta energy: -3.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -66.673344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.673344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.673344 (E_RNA) where: Base-Base interactions energy: -28.406 where: short stacking energy: -26.425 Base-Backbone interact. energy: -0.000 local terms energy: -38.267736 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -7.795 flat angles P-C4'-P energy: -4.560 tors. eta vs tors. theta energy: -8.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -54.985761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.985761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.985761 (E_RNA) where: Base-Base interactions energy: -22.973 where: short stacking energy: -22.973 Base-Backbone interact. energy: -0.001 local terms energy: -32.011230 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -6.614 flat angles P-C4'-P energy: -3.923 tors. eta vs tors. theta energy: -4.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -75.551821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.551821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.551821 (E_RNA) where: Base-Base interactions energy: -39.607 where: short stacking energy: -26.633 Base-Backbone interact. energy: -0.005 local terms energy: -35.939812 where: bonds (distance) C4'-P energy: -5.461 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -8.194 flat angles P-C4'-P energy: -5.845 tors. eta vs tors. theta energy: -7.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -56.873909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.873909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.873909 (E_RNA) where: Base-Base interactions energy: -26.095 where: short stacking energy: -13.911 Base-Backbone interact. energy: -0.044 local terms energy: -30.735803 where: bonds (distance) C4'-P energy: -6.653 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -6.512 flat angles P-C4'-P energy: -4.559 tors. eta vs tors. theta energy: -4.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -61.217461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.217461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.217461 (E_RNA) where: Base-Base interactions energy: -25.764 where: short stacking energy: -24.735 Base-Backbone interact. energy: -0.000 local terms energy: -35.453251 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -8.880 flat angles C4'-P-C4' energy: -7.244 flat angles P-C4'-P energy: -5.293 tors. eta vs tors. theta energy: -5.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -58.257426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.257426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.257426 (E_RNA) where: Base-Base interactions energy: -23.018 where: short stacking energy: -23.018 Base-Backbone interact. energy: -0.000 local terms energy: -35.239321 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -6.277 flat angles P-C4'-P energy: -6.039 tors. eta vs tors. theta energy: -6.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -51.216567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.216567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.216567 (E_RNA) where: Base-Base interactions energy: -19.183 where: short stacking energy: -19.183 Base-Backbone interact. energy: -0.000 local terms energy: -32.033835 where: bonds (distance) C4'-P energy: -6.690 bonds (distance) P-C4' energy: -8.100 flat angles C4'-P-C4' energy: -6.927 flat angles P-C4'-P energy: -4.535 tors. eta vs tors. theta energy: -5.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -53.883403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.883403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.883403 (E_RNA) where: Base-Base interactions energy: -20.467 where: short stacking energy: -20.467 Base-Backbone interact. energy: -0.001 local terms energy: -33.415794 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -8.121 flat angles C4'-P-C4' energy: -5.430 flat angles P-C4'-P energy: -6.932 tors. eta vs tors. theta energy: -5.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -41.828588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.828588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.828588 (E_RNA) where: Base-Base interactions energy: -16.124 where: short stacking energy: -9.266 Base-Backbone interact. energy: -0.137 local terms energy: -25.567425 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -4.912 flat angles P-C4'-P energy: -5.505 tors. eta vs tors. theta energy: 1.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -40.935497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.935497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.935497 (E_RNA) where: Base-Base interactions energy: -12.435 where: short stacking energy: -8.243 Base-Backbone interact. energy: -0.033 local terms energy: -28.467671 where: bonds (distance) C4'-P energy: -5.005 bonds (distance) P-C4' energy: -8.336 flat angles C4'-P-C4' energy: -7.187 flat angles P-C4'-P energy: -3.282 tors. eta vs tors. theta energy: -4.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -68.418226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.418226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.418226 (E_RNA) where: Base-Base interactions energy: -33.451 where: short stacking energy: -33.451 Base-Backbone interact. energy: -0.097 local terms energy: -34.869923 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.178 flat angles C4'-P-C4' energy: -7.350 flat angles P-C4'-P energy: -2.402 tors. eta vs tors. theta energy: -8.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -62.252792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.252792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.252792 (E_RNA) where: Base-Base interactions energy: -30.533 where: short stacking energy: -30.533 Base-Backbone interact. energy: -0.002 local terms energy: -31.717653 where: bonds (distance) C4'-P energy: -4.943 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -6.198 flat angles P-C4'-P energy: -4.361 tors. eta vs tors. theta energy: -7.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -56.905199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.905199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.905199 (E_RNA) where: Base-Base interactions energy: -20.445 where: short stacking energy: -20.445 Base-Backbone interact. energy: 0.222 local terms energy: -36.682695 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -8.811 flat angles P-C4'-P energy: -7.319 tors. eta vs tors. theta energy: -5.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -50.393180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.393180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.393180 (E_RNA) where: Base-Base interactions energy: -17.774 where: short stacking energy: -17.774 Base-Backbone interact. energy: -0.056 local terms energy: -32.562742 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.390 flat angles P-C4'-P energy: -5.156 tors. eta vs tors. theta energy: -2.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -46.154292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.154292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.154292 (E_RNA) where: Base-Base interactions energy: -16.026 where: short stacking energy: -16.645 Base-Backbone interact. energy: -0.155 local terms energy: -29.973249 where: bonds (distance) C4'-P energy: -6.938 bonds (distance) P-C4' energy: -7.791 flat angles C4'-P-C4' energy: -6.729 flat angles P-C4'-P energy: -6.839 tors. eta vs tors. theta energy: -1.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -52.800283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.800283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.800283 (E_RNA) where: Base-Base interactions energy: -20.714 where: short stacking energy: -20.714 Base-Backbone interact. energy: -0.016 local terms energy: -32.070191 where: bonds (distance) C4'-P energy: -5.631 bonds (distance) P-C4' energy: -8.330 flat angles C4'-P-C4' energy: -6.340 flat angles P-C4'-P energy: -6.236 tors. eta vs tors. theta energy: -5.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -45.547630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.547630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.547630 (E_RNA) where: Base-Base interactions energy: -15.228 where: short stacking energy: -15.228 Base-Backbone interact. energy: -0.000 local terms energy: -30.319732 where: bonds (distance) C4'-P energy: -7.853 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -5.430 flat angles P-C4'-P energy: -4.349 tors. eta vs tors. theta energy: -3.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -45.001946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.001946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.001946 (E_RNA) where: Base-Base interactions energy: -17.754 where: short stacking energy: -16.678 Base-Backbone interact. energy: -0.041 local terms energy: -27.207568 where: bonds (distance) C4'-P energy: -4.922 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.257 flat angles P-C4'-P energy: -3.524 tors. eta vs tors. theta energy: -2.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -42.831939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.831939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.831939 (E_RNA) where: Base-Base interactions energy: -12.852 where: short stacking energy: -12.852 Base-Backbone interact. energy: -0.004 local terms energy: -29.975924 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -7.576 flat angles C4'-P-C4' energy: -3.173 flat angles P-C4'-P energy: -6.915 tors. eta vs tors. theta energy: -3.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -41.961587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.961587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.961587 (E_RNA) where: Base-Base interactions energy: -12.071 where: short stacking energy: -9.498 Base-Backbone interact. energy: -0.009 local terms energy: -29.882344 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -5.238 flat angles C4'-P-C4' energy: -7.031 flat angles P-C4'-P energy: -4.903 tors. eta vs tors. theta energy: -5.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -76.628549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.628549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.628549 (E_RNA) where: Base-Base interactions energy: -43.386 where: short stacking energy: -24.497 Base-Backbone interact. energy: -0.001 local terms energy: -33.241593 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -7.270 flat angles C4'-P-C4' energy: -6.257 flat angles P-C4'-P energy: -4.698 tors. eta vs tors. theta energy: -7.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -64.473958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.473958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.473958 (E_RNA) where: Base-Base interactions energy: -28.572 where: short stacking energy: -27.383 Base-Backbone interact. energy: -0.053 local terms energy: -35.849317 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -8.128 flat angles P-C4'-P energy: -5.840 tors. eta vs tors. theta energy: -7.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -59.433232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.433232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.433232 (E_RNA) where: Base-Base interactions energy: -26.360 where: short stacking energy: -26.360 Base-Backbone interact. energy: -0.000 local terms energy: -33.072874 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -5.930 flat angles P-C4'-P energy: -2.764 tors. eta vs tors. theta energy: -10.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -47.948378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.948378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.948378 (E_RNA) where: Base-Base interactions energy: -12.164 where: short stacking energy: -12.164 Base-Backbone interact. energy: -0.032 local terms energy: -35.751969 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -8.537 flat angles P-C4'-P energy: -6.537 tors. eta vs tors. theta energy: -2.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -48.621413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.621413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.621413 (E_RNA) where: Base-Base interactions energy: -21.390 where: short stacking energy: -18.144 Base-Backbone interact. energy: -0.161 local terms energy: -27.069730 where: bonds (distance) C4'-P energy: -5.121 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -6.639 flat angles P-C4'-P energy: -5.054 tors. eta vs tors. theta energy: -3.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -49.533853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.533853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.533853 (E_RNA) where: Base-Base interactions energy: -19.092 where: short stacking energy: -19.092 Base-Backbone interact. energy: -0.002 local terms energy: -30.440246 where: bonds (distance) C4'-P energy: -7.936 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -7.120 flat angles P-C4'-P energy: -5.301 tors. eta vs tors. theta energy: -2.064 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: 451 Temperature: 1.200000 Total energy: -54.536239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.536239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.536239 (E_RNA) where: Base-Base interactions energy: -20.158 where: short stacking energy: -20.158 Base-Backbone interact. energy: -0.000 local terms energy: -34.378465 where: bonds (distance) C4'-P energy: -6.984 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -8.682 flat angles P-C4'-P energy: -4.463 tors. eta vs tors. theta energy: -6.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -57.268533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.268533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.268533 (E_RNA) where: Base-Base interactions energy: -24.161 where: short stacking energy: -24.161 Base-Backbone interact. energy: -0.000 local terms energy: -33.107204 where: bonds (distance) C4'-P energy: -5.556 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -3.699 flat angles P-C4'-P energy: -5.673 tors. eta vs tors. theta energy: -9.634 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: 2 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -42.938584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.938584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.938584 (E_RNA) where: Base-Base interactions energy: -14.188 where: short stacking energy: -14.188 Base-Backbone interact. energy: -0.104 local terms energy: -28.646598 where: bonds (distance) C4'-P energy: -6.475 bonds (distance) P-C4' energy: -8.510 flat angles C4'-P-C4' energy: -6.964 flat angles P-C4'-P energy: -3.514 tors. eta vs tors. theta energy: -3.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -44.659182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.659182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.659182 (E_RNA) where: Base-Base interactions energy: -15.418 where: short stacking energy: -13.799 Base-Backbone interact. energy: -0.090 local terms energy: -29.151883 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -4.098 flat angles P-C4'-P energy: -6.317 tors. eta vs tors. theta energy: -3.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -79.775087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.775087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.775087 (E_RNA) where: Base-Base interactions energy: -43.473 where: short stacking energy: -23.142 Base-Backbone interact. energy: -0.190 local terms energy: -36.111907 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -8.672 flat angles C4'-P-C4' energy: -8.348 flat angles P-C4'-P energy: -5.676 tors. eta vs tors. theta energy: -6.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -54.699801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.699801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.699801 (E_RNA) where: Base-Base interactions energy: -21.423 where: short stacking energy: -21.287 Base-Backbone interact. energy: -0.000 local terms energy: -33.276788 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -5.974 flat angles P-C4'-P energy: -7.223 tors. eta vs tors. theta energy: -4.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -56.215778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.215778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.215778 (E_RNA) where: Base-Base interactions energy: -24.190 where: short stacking energy: -18.857 Base-Backbone interact. energy: -0.027 local terms energy: -31.999344 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -8.771 flat angles C4'-P-C4' energy: -7.847 flat angles P-C4'-P energy: -5.889 tors. eta vs tors. theta energy: -1.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -53.070025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.070025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.070025 (E_RNA) where: Base-Base interactions energy: -17.461 where: short stacking energy: -17.461 Base-Backbone interact. energy: -0.002 local terms energy: -35.606898 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.619 flat angles C4'-P-C4' energy: -8.964 flat angles P-C4'-P energy: -6.114 tors. eta vs tors. theta energy: -4.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -49.816262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.816262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.816262 (E_RNA) where: Base-Base interactions energy: -19.253 where: short stacking energy: -15.041 Base-Backbone interact. energy: -0.139 local terms energy: -30.424181 where: bonds (distance) C4'-P energy: -5.576 bonds (distance) P-C4' energy: -8.840 flat angles C4'-P-C4' energy: -8.785 flat angles P-C4'-P energy: -4.709 tors. eta vs tors. theta energy: -2.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -65.088931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.088931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.088931 (E_RNA) where: Base-Base interactions energy: -31.969 where: short stacking energy: -19.034 Base-Backbone interact. energy: -0.066 local terms energy: -33.054570 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -4.662 flat angles P-C4'-P energy: -6.867 tors. eta vs tors. theta energy: -7.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -46.336808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.336808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.336808 (E_RNA) where: Base-Base interactions energy: -19.648 where: short stacking energy: -14.852 Base-Backbone interact. energy: -0.082 local terms energy: -26.607449 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -7.009 flat angles C4'-P-C4' energy: -6.059 flat angles P-C4'-P energy: -4.309 tors. eta vs tors. theta energy: -0.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -45.646858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.646858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.646858 (E_RNA) where: Base-Base interactions energy: -16.391 where: short stacking energy: -15.416 Base-Backbone interact. energy: -0.042 local terms energy: -29.214146 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -5.175 flat angles C4'-P-C4' energy: -3.562 flat angles P-C4'-P energy: -6.652 tors. eta vs tors. theta energy: -5.314 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: 9 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -45.001246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.001246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.001246 (E_RNA) where: Base-Base interactions energy: -18.990 where: short stacking energy: -15.074 Base-Backbone interact. energy: -0.163 local terms energy: -25.847484 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -7.925 flat angles C4'-P-C4' energy: -4.228 flat angles P-C4'-P energy: -3.193 tors. eta vs tors. theta energy: -5.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -40.517111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.517111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.517111 (E_RNA) where: Base-Base interactions energy: -17.298 where: short stacking energy: -12.651 Base-Backbone interact. energy: -0.193 local terms energy: -23.025746 where: bonds (distance) C4'-P energy: -1.886 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.511 flat angles P-C4'-P energy: -6.415 tors. eta vs tors. theta energy: -0.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -67.348123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.348123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.348123 (E_RNA) where: Base-Base interactions energy: -27.899 where: short stacking energy: -27.899 Base-Backbone interact. energy: -0.001 local terms energy: -39.447859 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -8.968 flat angles P-C4'-P energy: -6.138 tors. eta vs tors. theta energy: -9.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -53.381390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.381390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.381390 (E_RNA) where: Base-Base interactions energy: -26.698 where: short stacking energy: -11.075 Base-Backbone interact. energy: -0.076 local terms energy: -26.607302 where: bonds (distance) C4'-P energy: -7.803 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -7.532 flat angles P-C4'-P energy: -5.039 tors. eta vs tors. theta energy: 0.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -75.727652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.727652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.727652 (E_RNA) where: Base-Base interactions energy: -42.214 where: short stacking energy: -26.843 Base-Backbone interact. energy: -0.381 local terms energy: -33.132240 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -8.234 flat angles P-C4'-P energy: -3.959 tors. eta vs tors. theta energy: -5.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -70.207448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.207448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.207448 (E_RNA) where: Base-Base interactions energy: -37.014 where: short stacking energy: -21.994 Base-Backbone interact. energy: -0.044 local terms energy: -33.149911 where: bonds (distance) C4'-P energy: -6.939 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.371 flat angles P-C4'-P energy: -7.198 tors. eta vs tors. theta energy: -1.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -60.490946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.490946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.490946 (E_RNA) where: Base-Base interactions energy: -31.122 where: short stacking energy: -21.963 Base-Backbone interact. energy: -0.418 local terms energy: -28.951048 where: bonds (distance) C4'-P energy: -6.239 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -5.796 flat angles P-C4'-P energy: -4.877 tors. eta vs tors. theta energy: -4.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -60.339917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.339917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.339917 (E_RNA) where: Base-Base interactions energy: -32.885 where: short stacking energy: -20.389 Base-Backbone interact. energy: 0.161 local terms energy: -27.615538 where: bonds (distance) C4'-P energy: -3.130 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.908 flat angles P-C4'-P energy: -5.783 tors. eta vs tors. theta energy: -2.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -51.274244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.274244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.274244 (E_RNA) where: Base-Base interactions energy: -19.080 where: short stacking energy: -19.080 Base-Backbone interact. energy: -0.000 local terms energy: -32.193709 where: bonds (distance) C4'-P energy: -5.994 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -5.957 flat angles P-C4'-P energy: -6.978 tors. eta vs tors. theta energy: -5.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -46.032482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.032482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.032482 (E_RNA) where: Base-Base interactions energy: -13.088 where: short stacking energy: -12.035 Base-Backbone interact. energy: -0.001 local terms energy: -32.944179 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -6.984 flat angles C4'-P-C4' energy: -8.673 flat angles P-C4'-P energy: -5.306 tors. eta vs tors. theta energy: -3.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -48.255174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.255174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.255174 (E_RNA) where: Base-Base interactions energy: -18.728 where: short stacking energy: -18.728 Base-Backbone interact. energy: -0.108 local terms energy: -29.419755 where: bonds (distance) C4'-P energy: -7.278 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -3.261 flat angles P-C4'-P energy: -6.413 tors. eta vs tors. theta energy: -4.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -40.563950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.563950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.563950 (E_RNA) where: Base-Base interactions energy: -13.628 where: short stacking energy: -13.309 Base-Backbone interact. energy: -0.018 local terms energy: -26.918113 where: bonds (distance) C4'-P energy: -5.878 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -8.727 flat angles P-C4'-P energy: -3.140 tors. eta vs tors. theta energy: -1.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -61.651003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.651003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.651003 (E_RNA) where: Base-Base interactions energy: -24.882 where: short stacking energy: -24.882 Base-Backbone interact. energy: -0.000 local terms energy: -36.769417 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.414 flat angles C4'-P-C4' energy: -8.106 flat angles P-C4'-P energy: -6.813 tors. eta vs tors. theta energy: -5.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -58.911115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.911115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.911115 (E_RNA) where: Base-Base interactions energy: -21.840 where: short stacking energy: -21.840 Base-Backbone interact. energy: -0.000 local terms energy: -37.071304 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.095 flat angles P-C4'-P energy: -6.388 tors. eta vs tors. theta energy: -6.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -68.363275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.363275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.363275 (E_RNA) where: Base-Base interactions energy: -30.092 where: short stacking energy: -30.092 Base-Backbone interact. energy: -0.000 local terms energy: -38.271537 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -8.559 flat angles C4'-P-C4' energy: -7.192 flat angles P-C4'-P energy: -5.793 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: 4, replica: 6 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -58.550662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.550662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.550662 (E_RNA) where: Base-Base interactions energy: -23.311 where: short stacking energy: -23.311 Base-Backbone interact. energy: -0.001 local terms energy: -35.238547 where: bonds (distance) C4'-P energy: -7.223 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -8.546 flat angles P-C4'-P energy: -5.197 tors. eta vs tors. theta energy: -6.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -52.906310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.906310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.906310 (E_RNA) where: Base-Base interactions energy: -22.354 where: short stacking energy: -21.385 Base-Backbone interact. energy: -0.043 local terms energy: -30.508562 where: bonds (distance) C4'-P energy: -5.332 bonds (distance) P-C4' energy: -5.788 flat angles C4'-P-C4' energy: -8.960 flat angles P-C4'-P energy: -4.650 tors. eta vs tors. theta energy: -5.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -57.793077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.793077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.793077 (E_RNA) where: Base-Base interactions energy: -36.312 where: short stacking energy: -18.734 Base-Backbone interact. energy: -0.078 local terms energy: -21.403659 where: bonds (distance) C4'-P energy: -6.061 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -3.418 flat angles P-C4'-P energy: -1.171 tors. eta vs tors. theta energy: -1.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -45.035474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.035474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.035474 (E_RNA) where: Base-Base interactions energy: -15.899 where: short stacking energy: -15.899 Base-Backbone interact. energy: -0.121 local terms energy: -29.015553 where: bonds (distance) C4'-P energy: -6.138 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.437 flat angles P-C4'-P energy: -3.303 tors. eta vs tors. theta energy: -2.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -42.796645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.796645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.796645 (E_RNA) where: Base-Base interactions energy: -15.991 where: short stacking energy: -14.754 Base-Backbone interact. energy: -0.016 local terms energy: -26.789659 where: bonds (distance) C4'-P energy: -5.883 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -7.858 flat angles P-C4'-P energy: -4.207 tors. eta vs tors. theta energy: -1.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -43.082708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.082708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.082708 (E_RNA) where: Base-Base interactions energy: -16.414 where: short stacking energy: -14.887 Base-Backbone interact. energy: -0.089 local terms energy: -26.580214 where: bonds (distance) C4'-P energy: -7.485 bonds (distance) P-C4' energy: -7.343 flat angles C4'-P-C4' energy: -6.082 flat angles P-C4'-P energy: -3.634 tors. eta vs tors. theta energy: -2.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -44.082902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.082902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.082902 (E_RNA) where: Base-Base interactions energy: -18.207 where: short stacking energy: -18.207 Base-Backbone interact. energy: -0.014 local terms energy: -25.862156 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -6.759 flat angles P-C4'-P energy: -3.312 tors. eta vs tors. theta energy: -2.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -64.222704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.222704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.222704 (E_RNA) where: Base-Base interactions energy: -26.614 where: short stacking energy: -26.614 Base-Backbone interact. energy: -0.001 local terms energy: -37.608126 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -6.403 flat angles P-C4'-P energy: -6.158 tors. eta vs tors. theta energy: -7.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -63.438497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.438497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.438497 (E_RNA) where: Base-Base interactions energy: -33.496 where: short stacking energy: -21.808 Base-Backbone interact. energy: -0.029 local terms energy: -29.913473 where: bonds (distance) C4'-P energy: -6.254 bonds (distance) P-C4' energy: -8.312 flat angles C4'-P-C4' energy: -7.723 flat angles P-C4'-P energy: -2.964 tors. eta vs tors. theta energy: -4.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -59.011731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.011731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.011731 (E_RNA) where: Base-Base interactions energy: -26.527 where: short stacking energy: -26.426 Base-Backbone interact. energy: -0.000 local terms energy: -32.484031 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -8.492 flat angles P-C4'-P energy: -2.219 tors. eta vs tors. theta energy: -5.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -63.322079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.322079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.322079 (E_RNA) where: Base-Base interactions energy: -27.329 where: short stacking energy: -27.329 Base-Backbone interact. energy: -0.000 local terms energy: -35.993167 where: bonds (distance) C4'-P energy: -6.193 bonds (distance) P-C4' energy: -7.734 flat angles C4'-P-C4' energy: -6.906 flat angles P-C4'-P energy: -6.707 tors. eta vs tors. theta energy: -8.453 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: 10 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -47.055718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.055718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.055718 (E_RNA) where: Base-Base interactions energy: -17.399 where: short stacking energy: -8.363 Base-Backbone interact. energy: -0.069 local terms energy: -29.587909 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -8.569 flat angles C4'-P-C4' energy: -8.179 flat angles P-C4'-P energy: -6.155 tors. eta vs tors. theta energy: 1.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -65.828236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.828236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.828236 (E_RNA) where: Base-Base interactions energy: -38.524 where: short stacking energy: -20.310 Base-Backbone interact. energy: -0.080 local terms energy: -27.224369 where: bonds (distance) C4'-P energy: -6.078 bonds (distance) P-C4' energy: -6.348 flat angles C4'-P-C4' energy: -7.857 flat angles P-C4'-P energy: -2.181 tors. eta vs tors. theta energy: -4.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -45.124484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.124484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.124484 (E_RNA) where: Base-Base interactions energy: -14.053 where: short stacking energy: -14.053 Base-Backbone interact. energy: -0.039 local terms energy: -31.032531 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -7.245 flat angles C4'-P-C4' energy: -7.685 flat angles P-C4'-P energy: -5.007 tors. eta vs tors. theta energy: -5.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -48.447374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.447374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.447374 (E_RNA) where: Base-Base interactions energy: -18.111 where: short stacking energy: -18.111 Base-Backbone interact. energy: -0.001 local terms energy: -30.335641 where: bonds (distance) C4'-P energy: -7.043 bonds (distance) P-C4' energy: -9.028 flat angles C4'-P-C4' energy: -7.417 flat angles P-C4'-P energy: -5.805 tors. eta vs tors. theta energy: -1.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -41.500855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.500855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.500855 (E_RNA) where: Base-Base interactions energy: -14.179 where: short stacking energy: -9.086 Base-Backbone interact. energy: 0.207 local terms energy: -27.528818 where: bonds (distance) C4'-P energy: -6.077 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -8.312 flat angles P-C4'-P energy: -2.938 tors. eta vs tors. theta energy: -1.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -37.487475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.487475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.487475 (E_RNA) where: Base-Base interactions energy: -13.914 where: short stacking energy: -11.549 Base-Backbone interact. energy: -0.003 local terms energy: -23.569813 where: bonds (distance) C4'-P energy: -8.172 bonds (distance) P-C4' energy: -5.797 flat angles C4'-P-C4' energy: -4.950 flat angles P-C4'-P energy: -6.209 tors. eta vs tors. theta energy: 1.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -75.601156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.601156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.601156 (E_RNA) where: Base-Base interactions energy: -42.703 where: short stacking energy: -25.410 Base-Backbone interact. energy: -0.001 local terms energy: -32.897102 where: bonds (distance) C4'-P energy: -7.695 bonds (distance) P-C4' energy: -5.087 flat angles C4'-P-C4' energy: -7.773 flat angles P-C4'-P energy: -5.166 tors. eta vs tors. theta energy: -7.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -77.705749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.705749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.705749 (E_RNA) where: Base-Base interactions energy: -42.931 where: short stacking energy: -27.996 Base-Backbone interact. energy: -0.090 local terms energy: -34.684936 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -6.636 flat angles C4'-P-C4' energy: -6.634 flat angles P-C4'-P energy: -7.274 tors. eta vs tors. theta energy: -5.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -66.816845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.816845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.816845 (E_RNA) where: Base-Base interactions energy: -31.857 where: short stacking energy: -23.430 Base-Backbone interact. energy: -0.001 local terms energy: -34.959690 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -5.996 flat angles C4'-P-C4' energy: -6.354 flat angles P-C4'-P energy: -6.646 tors. eta vs tors. theta energy: -7.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -53.176808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.176808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.176808 (E_RNA) where: Base-Base interactions energy: -21.118 where: short stacking energy: -10.840 Base-Backbone interact. energy: -0.108 local terms energy: -31.950613 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -8.765 flat angles P-C4'-P energy: -6.109 tors. eta vs tors. theta energy: -1.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -50.108621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.108621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.108621 (E_RNA) where: Base-Base interactions energy: -20.152 where: short stacking energy: -18.129 Base-Backbone interact. energy: -0.000 local terms energy: -29.956390 where: bonds (distance) C4'-P energy: -7.646 bonds (distance) P-C4' energy: -6.842 flat angles C4'-P-C4' energy: -7.801 flat angles P-C4'-P energy: -4.509 tors. eta vs tors. theta energy: -3.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -51.751976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.751976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.751976 (E_RNA) where: Base-Base interactions energy: -20.499 where: short stacking energy: -20.499 Base-Backbone interact. energy: 0.155 local terms energy: -31.407466 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -4.808 flat angles P-C4'-P energy: -6.453 tors. eta vs tors. theta energy: -4.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -54.629784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.629784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.629784 (E_RNA) where: Base-Base interactions energy: -21.253 where: short stacking energy: -21.253 Base-Backbone interact. energy: -0.000 local terms energy: -33.376499 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -7.496 flat angles C4'-P-C4' energy: -6.606 flat angles P-C4'-P energy: -6.935 tors. eta vs tors. theta energy: -5.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -42.744015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.744015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.744015 (E_RNA) where: Base-Base interactions energy: -13.919 where: short stacking energy: -13.919 Base-Backbone interact. energy: -0.034 local terms energy: -28.790545 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -7.803 flat angles P-C4'-P energy: -4.525 tors. eta vs tors. theta energy: -0.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -41.024952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.024952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.024952 (E_RNA) where: Base-Base interactions energy: -17.438 where: short stacking energy: -17.438 Base-Backbone interact. energy: 0.179 local terms energy: -23.765646 where: bonds (distance) C4'-P energy: -7.638 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -5.048 flat angles P-C4'-P energy: -2.325 tors. eta vs tors. theta energy: -1.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -50.047733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.047733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.047733 (E_RNA) where: Base-Base interactions energy: -23.244 where: short stacking energy: -23.244 Base-Backbone interact. energy: -0.002 local terms energy: -26.801819 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -5.307 flat angles P-C4'-P energy: 1.271 tors. eta vs tors. theta energy: -7.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -81.326247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.326247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.326247 (E_RNA) where: Base-Base interactions energy: -45.102 where: short stacking energy: -27.127 Base-Backbone interact. energy: -0.003 local terms energy: -36.221634 where: bonds (distance) C4'-P energy: -8.304 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.090 flat angles P-C4'-P energy: -5.858 tors. eta vs tors. theta energy: -6.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -54.563641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.563641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.563641 (E_RNA) where: Base-Base interactions energy: -25.900 where: short stacking energy: -11.252 Base-Backbone interact. energy: -0.003 local terms energy: -28.660248 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -8.354 flat angles C4'-P-C4' energy: -6.639 flat angles P-C4'-P energy: -3.829 tors. eta vs tors. theta energy: -1.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -58.363238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.363238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.363238 (E_RNA) where: Base-Base interactions energy: -24.864 where: short stacking energy: -21.024 Base-Backbone interact. energy: -0.038 local terms energy: -33.461649 where: bonds (distance) C4'-P energy: -6.441 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.820 flat angles P-C4'-P energy: -5.155 tors. eta vs tors. theta energy: -4.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -57.019389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.019389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.019389 (E_RNA) where: Base-Base interactions energy: -24.191 where: short stacking energy: -24.191 Base-Backbone interact. energy: -0.003 local terms energy: -32.825901 where: bonds (distance) C4'-P energy: -7.944 bonds (distance) P-C4' energy: -4.104 flat angles C4'-P-C4' energy: -9.047 flat angles P-C4'-P energy: -4.731 tors. eta vs tors. theta energy: -7.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -49.575556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.575556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.575556 (E_RNA) where: Base-Base interactions energy: -19.001 where: short stacking energy: -19.001 Base-Backbone interact. energy: -0.019 local terms energy: -30.555843 where: bonds (distance) C4'-P energy: -6.442 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -6.331 flat angles P-C4'-P energy: -6.271 tors. eta vs tors. theta energy: -3.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -56.892278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.892278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.892278 (E_RNA) where: Base-Base interactions energy: -21.065 where: short stacking energy: -21.065 Base-Backbone interact. energy: -0.090 local terms energy: -35.737397 where: bonds (distance) C4'-P energy: -5.911 bonds (distance) P-C4' energy: -8.451 flat angles C4'-P-C4' energy: -8.302 flat angles P-C4'-P energy: -6.020 tors. eta vs tors. theta energy: -7.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -51.785058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.785058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.785058 (E_RNA) where: Base-Base interactions energy: -17.939 where: short stacking energy: -17.873 Base-Backbone interact. energy: -0.007 local terms energy: -33.840010 where: bonds (distance) C4'-P energy: -5.826 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -8.163 flat angles P-C4'-P energy: -3.745 tors. eta vs tors. theta energy: -7.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -46.202667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.202667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.202667 (E_RNA) where: Base-Base interactions energy: -15.297 where: short stacking energy: -15.297 Base-Backbone interact. energy: -0.000 local terms energy: -30.904966 where: bonds (distance) C4'-P energy: -6.317 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.259 flat angles P-C4'-P energy: -6.832 tors. eta vs tors. theta energy: -1.920 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: 9, replica: 3 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -47.795598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.795598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.795598 (E_RNA) where: Base-Base interactions energy: -16.450 where: short stacking energy: -17.349 Base-Backbone interact. energy: -0.060 local terms energy: -31.285539 where: bonds (distance) C4'-P energy: -6.591 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -7.850 flat angles P-C4'-P energy: -4.873 tors. eta vs tors. theta energy: -2.158 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: 9 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -42.707594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.707594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.707594 (E_RNA) where: Base-Base interactions energy: -13.874 where: short stacking energy: -13.874 Base-Backbone interact. energy: -0.000 local terms energy: -28.833121 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -5.823 flat angles P-C4'-P energy: -4.330 tors. eta vs tors. theta energy: -2.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -73.346289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.346289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.346289 (E_RNA) where: Base-Base interactions energy: -40.560 where: short stacking energy: -25.237 Base-Backbone interact. energy: -0.002 local terms energy: -32.784251 where: bonds (distance) C4'-P energy: -6.550 bonds (distance) P-C4' energy: -6.724 flat angles C4'-P-C4' energy: -7.512 flat angles P-C4'-P energy: -3.892 tors. eta vs tors. theta energy: -8.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -56.933567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.933567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.933567 (E_RNA) where: Base-Base interactions energy: -22.561 where: short stacking energy: -19.079 Base-Backbone interact. energy: -0.046 local terms energy: -34.326503 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -8.574 flat angles P-C4'-P energy: -6.765 tors. eta vs tors. theta energy: -3.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -57.049672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.049672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.049672 (E_RNA) where: Base-Base interactions energy: -28.714 where: short stacking energy: -21.448 Base-Backbone interact. energy: -0.011 local terms energy: -28.324877 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -5.864 flat angles P-C4'-P energy: -2.557 tors. eta vs tors. theta energy: -5.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -53.585042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.585042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.585042 (E_RNA) where: Base-Base interactions energy: -19.539 where: short stacking energy: -19.539 Base-Backbone interact. energy: -0.006 local terms energy: -34.039953 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -5.458 flat angles P-C4'-P energy: -7.462 tors. eta vs tors. theta energy: -4.960 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: 2 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -52.086008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.086008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.086008 (E_RNA) where: Base-Base interactions energy: -20.858 where: short stacking energy: -16.363 Base-Backbone interact. energy: -0.002 local terms energy: -31.226536 where: bonds (distance) C4'-P energy: -6.098 bonds (distance) P-C4' energy: -6.917 flat angles C4'-P-C4' energy: -6.395 flat angles P-C4'-P energy: -5.535 tors. eta vs tors. theta energy: -6.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -52.642578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.642578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.642578 (E_RNA) where: Base-Base interactions energy: -22.989 where: short stacking energy: -18.032 Base-Backbone interact. energy: -0.000 local terms energy: -29.653422 where: bonds (distance) C4'-P energy: -7.369 bonds (distance) P-C4' energy: -7.728 flat angles C4'-P-C4' energy: -7.736 flat angles P-C4'-P energy: -3.981 tors. eta vs tors. theta energy: -2.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -47.947207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.947207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.947207 (E_RNA) where: Base-Base interactions energy: -18.728 where: short stacking energy: -18.429 Base-Backbone interact. energy: -0.074 local terms energy: -29.144887 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -3.880 flat angles C4'-P-C4' energy: -5.098 flat angles P-C4'-P energy: -7.169 tors. eta vs tors. theta energy: -5.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -49.228168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.228168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.228168 (E_RNA) where: Base-Base interactions energy: -20.716 where: short stacking energy: -18.751 Base-Backbone interact. energy: -0.015 local terms energy: -28.497043 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -6.115 flat angles P-C4'-P energy: -4.634 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: 9, replica: 9 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -53.804969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.804969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.804969 (E_RNA) where: Base-Base interactions energy: -19.831 where: short stacking energy: -19.831 Base-Backbone interact. energy: -0.000 local terms energy: -33.973856 where: bonds (distance) C4'-P energy: -7.832 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -9.134 flat angles P-C4'-P energy: -2.517 tors. eta vs tors. theta energy: -8.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -43.502040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.502040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.502040 (E_RNA) where: Base-Base interactions energy: -11.652 where: short stacking energy: -11.652 Base-Backbone interact. energy: -0.002 local terms energy: -31.848576 where: bonds (distance) C4'-P energy: -7.935 bonds (distance) P-C4' energy: -8.087 flat angles C4'-P-C4' energy: -7.482 flat angles P-C4'-P energy: -5.738 tors. eta vs tors. theta energy: -2.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -60.228833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.228833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.228833 (E_RNA) where: Base-Base interactions energy: -24.253 where: short stacking energy: -24.253 Base-Backbone interact. energy: -0.018 local terms energy: -35.957492 where: bonds (distance) C4'-P energy: -6.334 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -7.816 flat angles P-C4'-P energy: -7.025 tors. eta vs tors. theta energy: -6.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -62.256484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.256484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.256484 (E_RNA) where: Base-Base interactions energy: -31.877 where: short stacking energy: -21.702 Base-Backbone interact. energy: -0.007 local terms energy: -30.372952 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -8.563 flat angles C4'-P-C4' energy: -5.963 flat angles P-C4'-P energy: -5.174 tors. eta vs tors. theta energy: -2.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -57.511781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.511781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.511781 (E_RNA) where: Base-Base interactions energy: -26.220 where: short stacking energy: -26.220 Base-Backbone interact. energy: -0.075 local terms energy: -31.216211 where: bonds (distance) C4'-P energy: -6.757 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -7.080 flat angles P-C4'-P energy: -4.505 tors. eta vs tors. theta energy: -5.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -59.320161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.320161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.320161 (E_RNA) where: Base-Base interactions energy: -24.428 where: short stacking energy: -24.428 Base-Backbone interact. energy: -0.000 local terms energy: -34.892564 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -6.145 flat angles P-C4'-P energy: -5.103 tors. eta vs tors. theta energy: -7.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -55.757963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.757963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.757963 (E_RNA) where: Base-Base interactions energy: -21.362 where: short stacking energy: -21.362 Base-Backbone interact. energy: -0.003 local terms energy: -34.392663 where: bonds (distance) C4'-P energy: -7.671 bonds (distance) P-C4' energy: -9.056 flat angles C4'-P-C4' energy: -8.249 flat angles P-C4'-P energy: -3.690 tors. eta vs tors. theta energy: -5.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -51.452595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.452595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.452595 (E_RNA) where: Base-Base interactions energy: -22.310 where: short stacking energy: -22.310 Base-Backbone interact. energy: -0.005 local terms energy: -29.137369 where: bonds (distance) C4'-P energy: -7.438 bonds (distance) P-C4' energy: -6.745 flat angles C4'-P-C4' energy: -4.743 flat angles P-C4'-P energy: -5.965 tors. eta vs tors. theta energy: -4.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -52.280887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.280887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.280887 (E_RNA) where: Base-Base interactions energy: -21.737 where: short stacking energy: -21.737 Base-Backbone interact. energy: -0.003 local terms energy: -30.541121 where: bonds (distance) C4'-P energy: -6.590 bonds (distance) P-C4' energy: -7.999 flat angles C4'-P-C4' energy: -6.222 flat angles P-C4'-P energy: -6.137 tors. eta vs tors. theta energy: -3.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -42.408906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.408906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.408906 (E_RNA) where: Base-Base interactions energy: -18.424 where: short stacking energy: -18.424 Base-Backbone interact. energy: -0.001 local terms energy: -23.983955 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.037 flat angles C4'-P-C4' energy: -6.062 flat angles P-C4'-P energy: -2.594 tors. eta vs tors. theta energy: -5.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -40.736813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.736813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.736813 (E_RNA) where: Base-Base interactions energy: -16.211 where: short stacking energy: -14.335 Base-Backbone interact. energy: 0.483 local terms energy: -25.007902 where: bonds (distance) C4'-P energy: -6.748 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -5.051 flat angles P-C4'-P energy: -1.598 tors. eta vs tors. theta energy: -2.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -40.430734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.430734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.430734 (E_RNA) where: Base-Base interactions energy: -11.252 where: short stacking energy: -11.252 Base-Backbone interact. energy: -0.000 local terms energy: -29.178971 where: bonds (distance) C4'-P energy: -4.267 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -6.509 flat angles P-C4'-P energy: -6.003 tors. eta vs tors. theta energy: -3.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -72.376915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.376915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.376915 (E_RNA) where: Base-Base interactions energy: -35.824 where: short stacking energy: -28.512 Base-Backbone interact. energy: -0.000 local terms energy: -36.552595 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -8.500 flat angles P-C4'-P energy: -6.191 tors. eta vs tors. theta energy: -7.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -67.154795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.154795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.154795 (E_RNA) where: Base-Base interactions energy: -35.002 where: short stacking energy: -25.480 Base-Backbone interact. energy: -0.611 local terms energy: -31.542100 where: bonds (distance) C4'-P energy: -6.466 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -7.299 flat angles P-C4'-P energy: -5.495 tors. eta vs tors. theta energy: -4.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -58.185955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.185955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.185955 (E_RNA) where: Base-Base interactions energy: -27.856 where: short stacking energy: -27.856 Base-Backbone interact. energy: -0.005 local terms energy: -30.325080 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -5.564 flat angles C4'-P-C4' energy: -7.228 flat angles P-C4'-P energy: -5.200 tors. eta vs tors. theta energy: -4.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -59.542246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.542246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.542246 (E_RNA) where: Base-Base interactions energy: -24.351 where: short stacking energy: -24.351 Base-Backbone interact. energy: -0.000 local terms energy: -35.191144 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -6.923 flat angles P-C4'-P energy: -6.972 tors. eta vs tors. theta energy: -3.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -55.738788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.738788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.738788 (E_RNA) where: Base-Base interactions energy: -29.482 where: short stacking energy: -16.930 Base-Backbone interact. energy: -0.080 local terms energy: -26.177479 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -4.905 flat angles P-C4'-P energy: -0.948 tors. eta vs tors. theta energy: -3.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -57.001379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.001379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.001379 (E_RNA) where: Base-Base interactions energy: -30.440 where: short stacking energy: -9.841 Base-Backbone interact. energy: -0.070 local terms energy: -26.492137 where: bonds (distance) C4'-P energy: -6.036 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.134 flat angles P-C4'-P energy: -4.036 tors. eta vs tors. theta energy: -1.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -48.638194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.638194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.638194 (E_RNA) where: Base-Base interactions energy: -21.086 where: short stacking energy: -21.086 Base-Backbone interact. energy: -0.008 local terms energy: -27.544280 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -4.526 flat angles C4'-P-C4' energy: -6.672 flat angles P-C4'-P energy: -1.157 tors. eta vs tors. theta energy: -7.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -52.754982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.754982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.754982 (E_RNA) where: Base-Base interactions energy: -22.421 where: short stacking energy: -18.613 Base-Backbone interact. energy: 0.292 local terms energy: -30.626089 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -8.002 flat angles P-C4'-P energy: -3.211 tors. eta vs tors. theta energy: -3.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -55.119905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.119905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.119905 (E_RNA) where: Base-Base interactions energy: -22.206 where: short stacking energy: -22.206 Base-Backbone interact. energy: -0.000 local terms energy: -32.913951 where: bonds (distance) C4'-P energy: -8.086 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.399 flat angles P-C4'-P energy: -2.468 tors. eta vs tors. theta energy: -5.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -46.010241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.010241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.010241 (E_RNA) where: Base-Base interactions energy: -19.298 where: short stacking energy: -15.955 Base-Backbone interact. energy: -0.369 local terms energy: -26.343680 where: bonds (distance) C4'-P energy: -7.013 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -7.025 flat angles P-C4'-P energy: -3.023 tors. eta vs tors. theta energy: -0.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -61.797092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.797092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.797092 (E_RNA) where: Base-Base interactions energy: -26.800 where: short stacking energy: -26.698 Base-Backbone interact. energy: -0.051 local terms energy: -34.945778 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -6.309 tors. eta vs tors. theta energy: -7.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -62.824100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.824100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.824100 (E_RNA) where: Base-Base interactions energy: -26.094 where: short stacking energy: -26.094 Base-Backbone interact. energy: -0.005 local terms energy: -36.725539 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -9.028 flat angles C4'-P-C4' energy: -7.709 flat angles P-C4'-P energy: -4.331 tors. eta vs tors. theta energy: -7.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -59.257887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.257887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.257887 (E_RNA) where: Base-Base interactions energy: -25.314 where: short stacking energy: -25.314 Base-Backbone interact. energy: -0.001 local terms energy: -33.943696 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -7.250 flat angles P-C4'-P energy: -5.305 tors. eta vs tors. theta energy: -5.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -59.652608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.652608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.652608 (E_RNA) where: Base-Base interactions energy: -24.752 where: short stacking energy: -22.389 Base-Backbone interact. energy: -0.115 local terms energy: -34.784956 where: bonds (distance) C4'-P energy: -7.228 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.434 flat angles P-C4'-P energy: -5.041 tors. eta vs tors. theta energy: -4.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -59.466589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.466589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.466589 (E_RNA) where: Base-Base interactions energy: -24.061 where: short stacking energy: -24.061 Base-Backbone interact. energy: -0.010 local terms energy: -35.396066 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -6.309 flat angles P-C4'-P energy: -5.490 tors. eta vs tors. theta energy: -8.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -50.568766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.568766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.568766 (E_RNA) where: Base-Base interactions energy: -23.831 where: short stacking energy: -10.779 Base-Backbone interact. energy: -0.097 local terms energy: -26.640934 where: bonds (distance) C4'-P energy: -5.892 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.730 flat angles P-C4'-P energy: -4.449 tors. eta vs tors. theta energy: 0.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -46.926759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.926759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.926759 (E_RNA) where: Base-Base interactions energy: -16.319 where: short stacking energy: -16.319 Base-Backbone interact. energy: -0.026 local terms energy: -30.581389 where: bonds (distance) C4'-P energy: -5.299 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.236 flat angles P-C4'-P energy: -5.893 tors. eta vs tors. theta energy: -3.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -39.672029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.672029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.672029 (E_RNA) where: Base-Base interactions energy: -12.452 where: short stacking energy: -12.452 Base-Backbone interact. energy: 0.084 local terms energy: -27.304608 where: bonds (distance) C4'-P energy: -8.665 bonds (distance) P-C4' energy: -8.243 flat angles C4'-P-C4' energy: -6.500 flat angles P-C4'-P energy: -4.072 tors. eta vs tors. theta energy: 0.175 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: 6 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -48.060504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.060504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.060504 (E_RNA) where: Base-Base interactions energy: -20.757 where: short stacking energy: -20.757 Base-Backbone interact. energy: -0.002 local terms energy: -27.300564 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -5.390 flat angles P-C4'-P energy: -4.447 tors. eta vs tors. theta energy: -4.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -44.527016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.527016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.527016 (E_RNA) where: Base-Base interactions energy: -21.069 where: short stacking energy: -14.316 Base-Backbone interact. energy: -0.102 local terms energy: -23.355563 where: bonds (distance) C4'-P energy: -3.974 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -5.154 flat angles P-C4'-P energy: -4.217 tors. eta vs tors. theta energy: -1.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -65.225091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.225091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.225091 (E_RNA) where: Base-Base interactions energy: -29.655 where: short stacking energy: -29.655 Base-Backbone interact. energy: -0.000 local terms energy: -35.569817 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -6.349 flat angles C4'-P-C4' energy: -8.589 flat angles P-C4'-P energy: -5.215 tors. eta vs tors. theta energy: -7.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -56.898758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.898758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.898758 (E_RNA) where: Base-Base interactions energy: -26.186 where: short stacking energy: -15.478 Base-Backbone interact. energy: -0.001 local terms energy: -30.712414 where: bonds (distance) C4'-P energy: -7.045 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -7.300 flat angles P-C4'-P energy: -5.204 tors. eta vs tors. theta energy: -2.889 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: 2 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -59.545050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.545050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.545050 (E_RNA) where: Base-Base interactions energy: -32.075 where: short stacking energy: -25.931 Base-Backbone interact. energy: -0.021 local terms energy: -27.449061 where: bonds (distance) C4'-P energy: -6.930 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -7.219 flat angles P-C4'-P energy: -2.447 tors. eta vs tors. theta energy: -2.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -48.159881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.159881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.159881 (E_RNA) where: Base-Base interactions energy: -23.682 where: short stacking energy: -20.985 Base-Backbone interact. energy: -0.099 local terms energy: -24.378821 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.817 flat angles P-C4'-P energy: -3.637 tors. eta vs tors. theta energy: -0.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -54.235958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.235958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.235958 (E_RNA) where: Base-Base interactions energy: -24.935 where: short stacking energy: -24.935 Base-Backbone interact. energy: -0.003 local terms energy: -29.298760 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -4.185 flat angles C4'-P-C4' energy: -7.278 flat angles P-C4'-P energy: -3.993 tors. eta vs tors. theta energy: -5.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -58.217096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.217096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.217096 (E_RNA) where: Base-Base interactions energy: -22.370 where: short stacking energy: -22.370 Base-Backbone interact. energy: -0.025 local terms energy: -35.822144 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.966 flat angles P-C4'-P energy: -5.402 tors. eta vs tors. theta energy: -4.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -43.048461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.048461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.048461 (E_RNA) where: Base-Base interactions energy: -16.943 where: short stacking energy: -12.279 Base-Backbone interact. energy: -0.104 local terms energy: -26.001235 where: bonds (distance) C4'-P energy: -7.617 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.220 flat angles P-C4'-P energy: -5.795 tors. eta vs tors. theta energy: 0.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -49.375483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.375483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.375483 (E_RNA) where: Base-Base interactions energy: -17.848 where: short stacking energy: -6.826 Base-Backbone interact. energy: -0.000 local terms energy: -31.527412 where: bonds (distance) C4'-P energy: -6.147 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -7.570 flat angles P-C4'-P energy: -6.648 tors. eta vs tors. theta energy: -2.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -39.351811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.351811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.351811 (E_RNA) where: Base-Base interactions energy: -11.689 where: short stacking energy: -11.689 Base-Backbone interact. energy: -0.136 local terms energy: -27.526014 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -7.607 flat angles C4'-P-C4' energy: -5.962 flat angles P-C4'-P energy: -4.275 tors. eta vs tors. theta energy: -0.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -38.057111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.057111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.057111 (E_RNA) where: Base-Base interactions energy: -15.157 where: short stacking energy: -13.680 Base-Backbone interact. energy: -0.111 local terms energy: -22.789471 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -4.170 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -5.938 tors. eta vs tors. theta energy: 0.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -59.932956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.932956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.932956 (E_RNA) where: Base-Base interactions energy: -27.580 where: short stacking energy: -21.462 Base-Backbone interact. energy: -0.019 local terms energy: -32.333639 where: bonds (distance) C4'-P energy: -7.989 bonds (distance) P-C4' energy: -6.572 flat angles C4'-P-C4' energy: -9.002 flat angles P-C4'-P energy: -4.674 tors. eta vs tors. theta energy: -4.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -64.352812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.352812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.352812 (E_RNA) where: Base-Base interactions energy: -28.833 where: short stacking energy: -28.833 Base-Backbone interact. energy: -0.001 local terms energy: -35.519083 where: bonds (distance) C4'-P energy: -5.948 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -5.844 flat angles P-C4'-P energy: -5.268 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: 3, replica: 8 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -68.263522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.263522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.263522 (E_RNA) where: Base-Base interactions energy: -35.795 where: short stacking energy: -30.558 Base-Backbone interact. energy: -0.000 local terms energy: -32.467790 where: bonds (distance) C4'-P energy: -2.966 bonds (distance) P-C4' energy: -8.302 flat angles C4'-P-C4' energy: -6.060 flat angles P-C4'-P energy: -6.592 tors. eta vs tors. theta energy: -8.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -57.382179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.382179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.382179 (E_RNA) where: Base-Base interactions energy: -27.101 where: short stacking energy: -26.407 Base-Backbone interact. energy: -0.075 local terms energy: -30.206117 where: bonds (distance) C4'-P energy: -7.229 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -5.732 flat angles P-C4'-P energy: -5.724 tors. eta vs tors. theta energy: -5.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -49.665905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.665905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.665905 (E_RNA) where: Base-Base interactions energy: -20.117 where: short stacking energy: -20.117 Base-Backbone interact. energy: -0.023 local terms energy: -29.525369 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.229 flat angles C4'-P-C4' energy: -8.626 flat angles P-C4'-P energy: -4.309 tors. eta vs tors. theta energy: -4.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -50.557052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.557052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.557052 (E_RNA) where: Base-Base interactions energy: -20.284 where: short stacking energy: -14.597 Base-Backbone interact. energy: -0.009 local terms energy: -30.263416 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -5.726 flat angles P-C4'-P energy: -6.289 tors. eta vs tors. theta energy: -1.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -56.548041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.548041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.548041 (E_RNA) where: Base-Base interactions energy: -24.644 where: short stacking energy: -19.269 Base-Backbone interact. energy: -0.000 local terms energy: -31.904324 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -8.197 flat angles P-C4'-P energy: -4.838 tors. eta vs tors. theta energy: -4.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -54.657303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.657303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.657303 (E_RNA) where: Base-Base interactions energy: -22.878 where: short stacking energy: -18.122 Base-Backbone interact. energy: -0.000 local terms energy: -31.778808 where: bonds (distance) C4'-P energy: -7.730 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -7.209 flat angles P-C4'-P energy: -5.231 tors. eta vs tors. theta energy: -3.261 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: 10 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -47.089123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.089123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.089123 (E_RNA) where: Base-Base interactions energy: -22.182 where: short stacking energy: -20.331 Base-Backbone interact. energy: -0.013 local terms energy: -24.893789 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -6.494 flat angles P-C4'-P energy: -0.708 tors. eta vs tors. theta energy: -3.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -46.471479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.471479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.471479 (E_RNA) where: Base-Base interactions energy: -22.027 where: short stacking energy: -22.027 Base-Backbone interact. energy: -0.000 local terms energy: -24.443900 where: bonds (distance) C4'-P energy: -3.230 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -5.470 flat angles P-C4'-P energy: -3.040 tors. eta vs tors. theta energy: -4.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -79.787148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.787148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.787148 (E_RNA) where: Base-Base interactions energy: -42.634 where: short stacking energy: -24.826 Base-Backbone interact. energy: -0.001 local terms energy: -37.152355 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -8.525 flat angles P-C4'-P energy: -7.411 tors. eta vs tors. theta energy: -4.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -66.602813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.602813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.602813 (E_RNA) where: Base-Base interactions energy: -29.715 where: short stacking energy: -29.715 Base-Backbone interact. energy: -0.000 local terms energy: -36.887775 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.287 flat angles C4'-P-C4' energy: -8.793 flat angles P-C4'-P energy: -4.135 tors. eta vs tors. theta energy: -8.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -62.134181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.134181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.134181 (E_RNA) where: Base-Base interactions energy: -29.449 where: short stacking energy: -27.630 Base-Backbone interact. energy: -0.000 local terms energy: -32.684877 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -7.496 flat angles P-C4'-P energy: -7.069 tors. eta vs tors. theta energy: -4.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -57.507249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.507249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.507249 (E_RNA) where: Base-Base interactions energy: -26.642 where: short stacking energy: -22.974 Base-Backbone interact. energy: -0.097 local terms energy: -30.767953 where: bonds (distance) C4'-P energy: -5.079 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -8.800 flat angles P-C4'-P energy: -3.805 tors. eta vs tors. theta energy: -4.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -55.466018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.466018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.466018 (E_RNA) where: Base-Base interactions energy: -28.332 where: short stacking energy: -19.185 Base-Backbone interact. energy: -0.024 local terms energy: -27.109892 where: bonds (distance) C4'-P energy: -5.432 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -6.622 flat angles P-C4'-P energy: -6.435 tors. eta vs tors. theta energy: -1.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -49.512232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.512232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.512232 (E_RNA) where: Base-Base interactions energy: -16.495 where: short stacking energy: -10.649 Base-Backbone interact. energy: 0.118 local terms energy: -33.135578 where: bonds (distance) C4'-P energy: -9.020 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -7.144 flat angles P-C4'-P energy: -5.077 tors. eta vs tors. theta energy: -3.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -55.848501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.848501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.848501 (E_RNA) where: Base-Base interactions energy: -23.842 where: short stacking energy: -21.963 Base-Backbone interact. energy: -0.355 local terms energy: -31.651834 where: bonds (distance) C4'-P energy: -7.266 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -7.481 flat angles P-C4'-P energy: -6.342 tors. eta vs tors. theta energy: -2.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -47.402345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.402345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.402345 (E_RNA) where: Base-Base interactions energy: -19.389 where: short stacking energy: -19.389 Base-Backbone interact. energy: -0.073 local terms energy: -27.940024 where: bonds (distance) C4'-P energy: -4.851 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -7.951 flat angles P-C4'-P energy: -3.023 tors. eta vs tors. theta energy: -2.559 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: 6 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -44.259046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.259046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.259046 (E_RNA) where: Base-Base interactions energy: -15.645 where: short stacking energy: -12.764 Base-Backbone interact. energy: -0.005 local terms energy: -28.608355 where: bonds (distance) C4'-P energy: -6.442 bonds (distance) P-C4' energy: -7.886 flat angles C4'-P-C4' energy: -6.277 flat angles P-C4'-P energy: -4.494 tors. eta vs tors. theta energy: -3.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -44.504716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.504716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.504716 (E_RNA) where: Base-Base interactions energy: -13.874 where: short stacking energy: -13.874 Base-Backbone interact. energy: -0.160 local terms energy: -30.470895 where: bonds (distance) C4'-P energy: -5.076 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -6.264 flat angles P-C4'-P energy: -6.316 tors. eta vs tors. theta energy: -3.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -79.362999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.362999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.362999 (E_RNA) where: Base-Base interactions energy: -46.167 where: short stacking energy: -32.119 Base-Backbone interact. energy: -0.000 local terms energy: -33.195568 where: bonds (distance) C4'-P energy: -7.576 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.836 flat angles P-C4'-P energy: -4.937 tors. eta vs tors. theta energy: -4.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -64.799975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.799975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.799975 (E_RNA) where: Base-Base interactions energy: -31.612 where: short stacking energy: -29.598 Base-Backbone interact. energy: -0.000 local terms energy: -33.187653 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -7.464 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -4.224 tors. eta vs tors. theta energy: -7.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -57.383188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.383188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.383188 (E_RNA) where: Base-Base interactions energy: -22.534 where: short stacking energy: -22.534 Base-Backbone interact. energy: -0.514 local terms energy: -34.335206 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -7.721 flat angles C4'-P-C4' energy: -8.602 flat angles P-C4'-P energy: -4.617 tors. eta vs tors. theta energy: -5.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -59.963875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.963875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.963875 (E_RNA) where: Base-Base interactions energy: -30.847 where: short stacking energy: -11.989 Base-Backbone interact. energy: -0.483 local terms energy: -28.633467 where: bonds (distance) C4'-P energy: -6.877 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -7.332 flat angles P-C4'-P energy: -5.197 tors. eta vs tors. theta energy: -1.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -55.055842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.055842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.055842 (E_RNA) where: Base-Base interactions energy: -22.776 where: short stacking energy: -22.776 Base-Backbone interact. energy: -0.049 local terms energy: -32.231060 where: bonds (distance) C4'-P energy: -6.388 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -7.467 flat angles P-C4'-P energy: -4.952 tors. eta vs tors. theta energy: -5.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -51.667938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.667938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.667938 (E_RNA) where: Base-Base interactions energy: -22.352 where: short stacking energy: -22.352 Base-Backbone interact. energy: -0.097 local terms energy: -29.219788 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.238 flat angles P-C4'-P energy: -4.995 tors. eta vs tors. theta energy: -2.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -49.051595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.051595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.051595 (E_RNA) where: Base-Base interactions energy: -20.702 where: short stacking energy: -13.192 Base-Backbone interact. energy: -0.101 local terms energy: -28.248881 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -7.554 flat angles C4'-P-C4' energy: -5.445 flat angles P-C4'-P energy: -3.620 tors. eta vs tors. theta energy: -3.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -48.871665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.871665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.871665 (E_RNA) where: Base-Base interactions energy: -21.807 where: short stacking energy: -21.779 Base-Backbone interact. energy: -0.056 local terms energy: -27.009452 where: bonds (distance) C4'-P energy: -5.796 bonds (distance) P-C4' energy: -4.227 flat angles C4'-P-C4' energy: -8.064 flat angles P-C4'-P energy: -3.854 tors. eta vs tors. theta energy: -5.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -48.601012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.601012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.601012 (E_RNA) where: Base-Base interactions energy: -18.902 where: short stacking energy: -18.902 Base-Backbone interact. energy: -0.000 local terms energy: -29.699240 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -7.392 flat angles C4'-P-C4' energy: -4.955 flat angles P-C4'-P energy: -2.337 tors. eta vs tors. theta energy: -7.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -42.155435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.155435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.155435 (E_RNA) where: Base-Base interactions energy: -14.150 where: short stacking energy: -12.306 Base-Backbone interact. energy: 0.444 local terms energy: -28.449525 where: bonds (distance) C4'-P energy: -5.903 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -6.179 flat angles P-C4'-P energy: -4.293 tors. eta vs tors. theta energy: -4.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -77.120883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.120883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.120883 (E_RNA) where: Base-Base interactions energy: -42.442 where: short stacking energy: -30.282 Base-Backbone interact. energy: -0.001 local terms energy: -34.678397 where: bonds (distance) C4'-P energy: -8.644 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -5.784 flat angles P-C4'-P energy: -6.166 tors. eta vs tors. theta energy: -5.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -62.054120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.054120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.054120 (E_RNA) where: Base-Base interactions energy: -28.961 where: short stacking energy: -17.538 Base-Backbone interact. energy: -0.000 local terms energy: -33.092833 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -4.832 flat angles P-C4'-P energy: -6.348 tors. eta vs tors. theta energy: -4.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -65.783436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.783436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.783436 (E_RNA) where: Base-Base interactions energy: -27.151 where: short stacking energy: -27.103 Base-Backbone interact. energy: -0.001 local terms energy: -38.631664 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -6.898 flat angles P-C4'-P energy: -6.373 tors. eta vs tors. theta energy: -8.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -59.328174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.328174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.328174 (E_RNA) where: Base-Base interactions energy: -24.756 where: short stacking energy: -24.756 Base-Backbone interact. energy: -0.002 local terms energy: -34.569967 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -6.105 flat angles P-C4'-P energy: -4.506 tors. eta vs tors. theta energy: -6.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -60.410500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.410500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.410500 (E_RNA) where: Base-Base interactions energy: -32.684 where: short stacking energy: -15.153 Base-Backbone interact. energy: -0.000 local terms energy: -27.725782 where: bonds (distance) C4'-P energy: -4.791 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.183 flat angles P-C4'-P energy: -3.313 tors. eta vs tors. theta energy: -4.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -52.592061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.592061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.592061 (E_RNA) where: Base-Base interactions energy: -23.910 where: short stacking energy: -18.892 Base-Backbone interact. energy: -0.019 local terms energy: -28.663133 where: bonds (distance) C4'-P energy: -6.612 bonds (distance) P-C4' energy: -9.334 flat angles C4'-P-C4' energy: -5.759 flat angles P-C4'-P energy: -2.654 tors. eta vs tors. theta energy: -4.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -46.018006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.018006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.018006 (E_RNA) where: Base-Base interactions energy: -15.661 where: short stacking energy: -15.661 Base-Backbone interact. energy: -0.001 local terms energy: -30.355663 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -3.996 flat angles P-C4'-P energy: -4.396 tors. eta vs tors. theta energy: -5.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -44.079463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.079463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.079463 (E_RNA) where: Base-Base interactions energy: -15.189 where: short stacking energy: -14.130 Base-Backbone interact. energy: -1.205 local terms energy: -27.685168 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -7.001 flat angles P-C4'-P energy: -5.465 tors. eta vs tors. theta energy: -1.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -40.188392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.188392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.188392 (E_RNA) where: Base-Base interactions energy: -7.799 where: short stacking energy: -7.799 Base-Backbone interact. energy: -0.614 local terms energy: -31.775370 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -6.748 flat angles C4'-P-C4' energy: -6.314 flat angles P-C4'-P energy: -6.160 tors. eta vs tors. theta energy: -4.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -49.816838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.816838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.816838 (E_RNA) where: Base-Base interactions energy: -21.117 where: short stacking energy: -19.937 Base-Backbone interact. energy: -0.025 local terms energy: -28.675420 where: bonds (distance) C4'-P energy: -6.823 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -9.640 flat angles P-C4'-P energy: -2.160 tors. eta vs tors. theta energy: -2.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -77.620289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.620289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.620289 (E_RNA) where: Base-Base interactions energy: -43.255 where: short stacking energy: -22.620 Base-Backbone interact. energy: 1.080 local terms energy: -35.446101 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -7.271 flat angles P-C4'-P energy: -6.670 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: 2, replica: 3 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -59.388288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.388288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.388288 (E_RNA) where: Base-Base interactions energy: -26.251 where: short stacking energy: -26.251 Base-Backbone interact. energy: -0.001 local terms energy: -33.136561 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -7.879 flat angles P-C4'-P energy: -5.208 tors. eta vs tors. theta energy: -4.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -56.114834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.114834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.114834 (E_RNA) where: Base-Base interactions energy: -22.685 where: short stacking energy: -22.685 Base-Backbone interact. energy: -0.000 local terms energy: -33.429700 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.309 flat angles P-C4'-P energy: -3.228 tors. eta vs tors. theta energy: -4.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -62.321694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.321694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.321694 (E_RNA) where: Base-Base interactions energy: -26.533 where: short stacking energy: -26.533 Base-Backbone interact. energy: -0.000 local terms energy: -35.788144 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -7.657 flat angles P-C4'-P energy: -5.528 tors. eta vs tors. theta energy: -6.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -59.410160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.410160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.410160 (E_RNA) where: Base-Base interactions energy: -27.107 where: short stacking energy: -22.479 Base-Backbone interact. energy: -0.001 local terms energy: -32.301953 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -7.830 flat angles C4'-P-C4' energy: -6.500 flat angles P-C4'-P energy: -5.938 tors. eta vs tors. theta energy: -4.508 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: 8 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -57.766772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.766772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.766772 (E_RNA) where: Base-Base interactions energy: -23.667 where: short stacking energy: -20.807 Base-Backbone interact. energy: -0.021 local terms energy: -34.078920 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -5.994 flat angles P-C4'-P energy: -4.979 tors. eta vs tors. theta energy: -6.328 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: 6 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -48.596378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.596378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.596378 (E_RNA) where: Base-Base interactions energy: -23.368 where: short stacking energy: -23.368 Base-Backbone interact. energy: -0.000 local terms energy: -25.228090 where: bonds (distance) C4'-P energy: -6.032 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.174 flat angles P-C4'-P energy: -4.217 tors. eta vs tors. theta energy: -3.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -60.392603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.392603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.392603 (E_RNA) where: Base-Base interactions energy: -27.206 where: short stacking energy: -24.947 Base-Backbone interact. energy: -0.001 local terms energy: -33.185731 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -7.548 flat angles P-C4'-P energy: -6.414 tors. eta vs tors. theta energy: -7.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -46.335611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.335611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.335611 (E_RNA) where: Base-Base interactions energy: -13.709 where: short stacking energy: -13.709 Base-Backbone interact. energy: -0.001 local terms energy: -32.626097 where: bonds (distance) C4'-P energy: -5.041 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -8.942 flat angles P-C4'-P energy: -6.453 tors. eta vs tors. theta energy: -3.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -44.319602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.319602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.319602 (E_RNA) where: Base-Base interactions energy: -17.370 where: short stacking energy: -17.370 Base-Backbone interact. energy: -0.017 local terms energy: -26.932565 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -7.913 flat angles C4'-P-C4' energy: -6.506 flat angles P-C4'-P energy: -4.303 tors. eta vs tors. theta energy: -0.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -79.269645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.269645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.269645 (E_RNA) where: Base-Base interactions energy: -45.333 where: short stacking energy: -25.285 Base-Backbone interact. energy: -0.002 local terms energy: -33.934021 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -5.455 flat angles P-C4'-P energy: -6.312 tors. eta vs tors. theta energy: -5.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -62.116393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.116393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.116393 (E_RNA) where: Base-Base interactions energy: -23.603 where: short stacking energy: -23.603 Base-Backbone interact. energy: -0.000 local terms energy: -38.512791 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -8.747 flat angles P-C4'-P energy: -5.323 tors. eta vs tors. theta energy: -7.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -62.779765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.779765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.779765 (E_RNA) where: Base-Base interactions energy: -26.204 where: short stacking energy: -26.204 Base-Backbone interact. energy: -0.000 local terms energy: -36.575380 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -6.481 flat angles P-C4'-P energy: -4.224 tors. eta vs tors. theta energy: -8.793 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: 4 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -61.838876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.838876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.838876 (E_RNA) where: Base-Base interactions energy: -29.552 where: short stacking energy: -29.552 Base-Backbone interact. energy: -0.000 local terms energy: -32.286972 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -4.683 flat angles C4'-P-C4' energy: -6.612 flat angles P-C4'-P energy: -5.386 tors. eta vs tors. theta energy: -10.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -51.949943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.949943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.949943 (E_RNA) where: Base-Base interactions energy: -18.152 where: short stacking energy: -13.611 Base-Backbone interact. energy: -0.448 local terms energy: -33.350522 where: bonds (distance) C4'-P energy: -6.689 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -6.577 flat angles P-C4'-P energy: -5.797 tors. eta vs tors. theta energy: -5.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -52.194100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.194100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.194100 (E_RNA) where: Base-Base interactions energy: -20.395 where: short stacking energy: -20.395 Base-Backbone interact. energy: 0.734 local terms energy: -32.533074 where: bonds (distance) C4'-P energy: -6.479 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -5.689 flat angles P-C4'-P energy: -3.953 tors. eta vs tors. theta energy: -7.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -44.877230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.877230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.877230 (E_RNA) where: Base-Base interactions energy: -16.445 where: short stacking energy: -15.314 Base-Backbone interact. energy: -0.073 local terms energy: -28.358736 where: bonds (distance) C4'-P energy: -3.655 bonds (distance) P-C4' energy: -6.867 flat angles C4'-P-C4' energy: -6.021 flat angles P-C4'-P energy: -5.454 tors. eta vs tors. theta energy: -6.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -42.945958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.945958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.945958 (E_RNA) where: Base-Base interactions energy: -12.567 where: short stacking energy: -12.567 Base-Backbone interact. energy: -0.000 local terms energy: -30.379382 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.337 flat angles P-C4'-P energy: -4.931 tors. eta vs tors. theta energy: -4.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -43.524588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.524588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.524588 (E_RNA) where: Base-Base interactions energy: -13.631 where: short stacking energy: -13.631 Base-Backbone interact. energy: -0.142 local terms energy: -29.751895 where: bonds (distance) C4'-P energy: -4.813 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -7.870 flat angles P-C4'-P energy: -4.008 tors. eta vs tors. theta energy: -3.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -46.876970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.876970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.876970 (E_RNA) where: Base-Base interactions energy: -14.839 where: short stacking energy: -14.839 Base-Backbone interact. energy: -0.000 local terms energy: -32.037861 where: bonds (distance) C4'-P energy: -7.708 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.565 flat angles P-C4'-P energy: -5.025 tors. eta vs tors. theta energy: -4.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -72.509159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.509159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.509159 (E_RNA) where: Base-Base interactions energy: -41.054 where: short stacking energy: -24.082 Base-Backbone interact. energy: -0.016 local terms energy: -31.439336 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.493 flat angles P-C4'-P energy: -4.402 tors. eta vs tors. theta energy: -3.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -56.885144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.885144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.885144 (E_RNA) where: Base-Base interactions energy: -24.154 where: short stacking energy: -22.766 Base-Backbone interact. energy: -0.016 local terms energy: -32.715232 where: bonds (distance) C4'-P energy: -4.944 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -7.646 flat angles P-C4'-P energy: -5.262 tors. eta vs tors. theta energy: -5.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -57.562075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.562075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.562075 (E_RNA) where: Base-Base interactions energy: -25.684 where: short stacking energy: -25.684 Base-Backbone interact. energy: -0.028 local terms energy: -31.850287 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -6.714 flat angles C4'-P-C4' energy: -9.006 flat angles P-C4'-P energy: -2.131 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: 4, replica: 4 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -69.595829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.595829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.595829 (E_RNA) where: Base-Base interactions energy: -33.988 where: short stacking energy: -33.988 Base-Backbone interact. energy: -0.000 local terms energy: -35.607365 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -5.735 flat angles C4'-P-C4' energy: -9.198 flat angles P-C4'-P energy: -1.313 tors. eta vs tors. theta energy: -11.569 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: 8 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -45.266961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.266961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.266961 (E_RNA) where: Base-Base interactions energy: -16.655 where: short stacking energy: -16.655 Base-Backbone interact. energy: -0.141 local terms energy: -28.471234 where: bonds (distance) C4'-P energy: -4.976 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -7.392 flat angles P-C4'-P energy: -6.325 tors. eta vs tors. theta energy: -1.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -51.436777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.436777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.436777 (E_RNA) where: Base-Base interactions energy: -20.858 where: short stacking energy: -20.858 Base-Backbone interact. energy: -0.083 local terms energy: -30.495645 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -5.034 flat angles P-C4'-P energy: -4.061 tors. eta vs tors. theta energy: -4.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -47.514902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.514902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.514902 (E_RNA) where: Base-Base interactions energy: -17.298 where: short stacking energy: -17.298 Base-Backbone interact. energy: -0.095 local terms energy: -30.121250 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -7.227 flat angles C4'-P-C4' energy: -7.295 flat angles P-C4'-P energy: -6.372 tors. eta vs tors. theta energy: -3.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -46.090041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.090041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.090041 (E_RNA) where: Base-Base interactions energy: -16.626 where: short stacking energy: -11.324 Base-Backbone interact. energy: -0.013 local terms energy: -29.451237 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -9.018 flat angles P-C4'-P energy: -4.806 tors. eta vs tors. theta energy: 1.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -41.460405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.460405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.460405 (E_RNA) where: Base-Base interactions energy: -12.627 where: short stacking energy: -8.203 Base-Backbone interact. energy: -0.051 local terms energy: -28.782134 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -8.722 flat angles P-C4'-P energy: -6.405 tors. eta vs tors. theta energy: 1.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -42.158758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.158758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.158758 (E_RNA) where: Base-Base interactions energy: -13.663 where: short stacking energy: -10.189 Base-Backbone interact. energy: -0.134 local terms energy: -28.361308 where: bonds (distance) C4'-P energy: -7.977 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -7.383 flat angles P-C4'-P energy: -4.012 tors. eta vs tors. theta energy: 0.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -78.594240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.594240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.594240 (E_RNA) where: Base-Base interactions energy: -42.945 where: short stacking energy: -28.803 Base-Backbone interact. energy: -0.014 local terms energy: -35.635259 where: bonds (distance) C4'-P energy: -8.665 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.449 flat angles P-C4'-P energy: -4.652 tors. eta vs tors. theta energy: -5.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -65.666848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.666848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.666848 (E_RNA) where: Base-Base interactions energy: -29.118 where: short stacking energy: -29.118 Base-Backbone interact. energy: -0.009 local terms energy: -36.540067 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.572 flat angles P-C4'-P energy: -5.094 tors. eta vs tors. theta energy: -6.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -61.099981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.099981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.099981 (E_RNA) where: Base-Base interactions energy: -33.943 where: short stacking energy: -12.148 Base-Backbone interact. energy: -0.000 local terms energy: -27.156394 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -4.319 flat angles P-C4'-P energy: -5.060 tors. eta vs tors. theta energy: -1.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -58.234200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.234200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.234200 (E_RNA) where: Base-Base interactions energy: -26.486 where: short stacking energy: -26.486 Base-Backbone interact. energy: -0.003 local terms energy: -31.744781 where: bonds (distance) C4'-P energy: -7.989 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -7.205 flat angles P-C4'-P energy: -5.701 tors. eta vs tors. theta energy: -3.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -54.852432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.852432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.852432 (E_RNA) where: Base-Base interactions energy: -22.323 where: short stacking energy: -18.259 Base-Backbone interact. energy: -0.014 local terms energy: -32.514955 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -7.358 flat angles P-C4'-P energy: -3.687 tors. eta vs tors. theta energy: -4.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -65.816125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.816125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.816125 (E_RNA) where: Base-Base interactions energy: -28.690 where: short stacking energy: -28.690 Base-Backbone interact. energy: -0.000 local terms energy: -37.125750 where: bonds (distance) C4'-P energy: -3.904 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.072 flat angles P-C4'-P energy: -5.795 tors. eta vs tors. theta energy: -9.773 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: 7, replica: 1 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -62.839236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.839236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.839236 (E_RNA) where: Base-Base interactions energy: -28.455 where: short stacking energy: -21.947 Base-Backbone interact. energy: -0.000 local terms energy: -34.384311 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -8.093 flat angles C4'-P-C4' energy: -6.849 flat angles P-C4'-P energy: -5.127 tors. eta vs tors. theta energy: -7.161 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: 8, replica: 10 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -44.768911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.768911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.768911 (E_RNA) where: Base-Base interactions energy: -21.352 where: short stacking energy: -16.876 Base-Backbone interact. energy: -0.001 local terms energy: -23.416040 where: bonds (distance) C4'-P energy: -4.239 bonds (distance) P-C4' energy: -6.032 flat angles C4'-P-C4' energy: -7.758 flat angles P-C4'-P energy: -3.555 tors. eta vs tors. theta energy: -1.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -39.587161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.587161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.587161 (E_RNA) where: Base-Base interactions energy: -11.970 where: short stacking energy: -11.970 Base-Backbone interact. energy: -0.030 local terms energy: -27.587022 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -5.475 flat angles P-C4'-P energy: -4.197 tors. eta vs tors. theta energy: -1.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -43.687091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.687091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.687091 (E_RNA) where: Base-Base interactions energy: -12.672 where: short stacking energy: -8.656 Base-Backbone interact. energy: -0.096 local terms energy: -30.918841 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -6.930 flat angles P-C4'-P energy: -4.031 tors. eta vs tors. theta energy: -2.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -60.965013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.965013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.965013 (E_RNA) where: Base-Base interactions energy: -28.833 where: short stacking energy: -28.140 Base-Backbone interact. energy: -0.000 local terms energy: -32.131979 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -6.513 flat angles C4'-P-C4' energy: -8.215 flat angles P-C4'-P energy: -4.768 tors. eta vs tors. theta energy: -5.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -62.176307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.176307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.176307 (E_RNA) where: Base-Base interactions energy: -26.673 where: short stacking energy: -22.624 Base-Backbone interact. energy: -0.000 local terms energy: -35.502687 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -7.755 flat angles C4'-P-C4' energy: -7.647 flat angles P-C4'-P energy: -5.527 tors. eta vs tors. theta energy: -6.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -70.066930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.066930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.066930 (E_RNA) where: Base-Base interactions energy: -36.925 where: short stacking energy: -23.978 Base-Backbone interact. energy: -0.014 local terms energy: -33.127880 where: bonds (distance) C4'-P energy: -6.317 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -7.294 flat angles P-C4'-P energy: -3.880 tors. eta vs tors. theta energy: -6.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -61.646924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.646924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.646924 (E_RNA) where: Base-Base interactions energy: -31.411 where: short stacking energy: -23.093 Base-Backbone interact. energy: -0.001 local terms energy: -30.234815 where: bonds (distance) C4'-P energy: -5.796 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -7.371 flat angles P-C4'-P energy: -3.882 tors. eta vs tors. theta energy: -5.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -54.886162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.886162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.886162 (E_RNA) where: Base-Base interactions energy: -26.328 where: short stacking energy: -26.328 Base-Backbone interact. energy: -0.017 local terms energy: -28.541651 where: bonds (distance) C4'-P energy: -3.010 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -4.870 flat angles P-C4'-P energy: -6.314 tors. eta vs tors. theta energy: -5.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -54.915112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.915112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.915112 (E_RNA) where: Base-Base interactions energy: -23.030 where: short stacking energy: -23.030 Base-Backbone interact. energy: -0.000 local terms energy: -31.885198 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -8.100 flat angles C4'-P-C4' energy: -7.787 flat angles P-C4'-P energy: -2.210 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: 7, replica: 8 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -44.776308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.776308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.776308 (E_RNA) where: Base-Base interactions energy: -14.598 where: short stacking energy: -14.598 Base-Backbone interact. energy: -0.000 local terms energy: -30.178251 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -7.520 flat angles P-C4'-P energy: -6.504 tors. eta vs tors. theta energy: -1.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -46.989958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.989958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.989958 (E_RNA) where: Base-Base interactions energy: -20.058 where: short stacking energy: -17.203 Base-Backbone interact. energy: -0.011 local terms energy: -26.920186 where: bonds (distance) C4'-P energy: -5.517 bonds (distance) P-C4' energy: -6.503 flat angles C4'-P-C4' energy: -7.357 flat angles P-C4'-P energy: -5.694 tors. eta vs tors. theta energy: -1.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -45.309757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.309757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.309757 (E_RNA) where: Base-Base interactions energy: -20.809 where: short stacking energy: -18.637 Base-Backbone interact. energy: -0.235 local terms energy: -24.265284 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -7.473 flat angles P-C4'-P energy: -3.487 tors. eta vs tors. theta energy: -0.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -43.459509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.459509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.459509 (E_RNA) where: Base-Base interactions energy: -15.526 where: short stacking energy: -14.931 Base-Backbone interact. energy: -0.116 local terms energy: -27.817329 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -8.322 flat angles P-C4'-P energy: -5.338 tors. eta vs tors. theta energy: 0.427 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: 4 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -67.849929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.849929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.849929 (E_RNA) where: Base-Base interactions energy: -30.958 where: short stacking energy: -30.958 Base-Backbone interact. energy: -0.000 local terms energy: -36.892061 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -7.510 flat angles P-C4'-P energy: -5.527 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: 2, replica: 5 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -62.328431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.328431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.328431 (E_RNA) where: Base-Base interactions energy: -29.498 where: short stacking energy: -29.498 Base-Backbone interact. energy: -0.071 local terms energy: -32.759752 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.602 flat angles P-C4'-P energy: -3.032 tors. eta vs tors. theta energy: -6.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -68.806651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.806651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.806651 (E_RNA) where: Base-Base interactions energy: -34.392 where: short stacking energy: -26.691 Base-Backbone interact. energy: -0.112 local terms energy: -34.301796 where: bonds (distance) C4'-P energy: -6.777 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -6.642 flat angles P-C4'-P energy: -4.108 tors. eta vs tors. theta energy: -8.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -64.281278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.281278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.281278 (E_RNA) where: Base-Base interactions energy: -29.954 where: short stacking energy: -18.194 Base-Backbone interact. energy: -0.003 local terms energy: -34.323686 where: bonds (distance) C4'-P energy: -8.283 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -5.503 flat angles P-C4'-P energy: -5.353 tors. eta vs tors. theta energy: -5.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -56.493668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.493668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.493668 (E_RNA) where: Base-Base interactions energy: -25.847 where: short stacking energy: -25.847 Base-Backbone interact. energy: -0.032 local terms energy: -30.614328 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -8.632 flat angles P-C4'-P energy: -2.592 tors. eta vs tors. theta energy: -4.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -47.352392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.352392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.352392 (E_RNA) where: Base-Base interactions energy: -17.776 where: short stacking energy: -13.776 Base-Backbone interact. energy: -0.061 local terms energy: -29.515076 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -7.068 flat angles P-C4'-P energy: -2.430 tors. eta vs tors. theta energy: -2.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -49.505545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.505545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.505545 (E_RNA) where: Base-Base interactions energy: -18.323 where: short stacking energy: -18.323 Base-Backbone interact. energy: -0.000 local terms energy: -31.182673 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -7.472 flat angles P-C4'-P energy: -4.031 tors. eta vs tors. theta energy: -7.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -52.244494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.244494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.244494 (E_RNA) where: Base-Base interactions energy: -21.198 where: short stacking energy: -18.829 Base-Backbone interact. energy: -0.240 local terms energy: -30.806114 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.952 flat angles C4'-P-C4' energy: -8.107 flat angles P-C4'-P energy: -5.940 tors. eta vs tors. theta energy: -4.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -43.635593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.635593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.635593 (E_RNA) where: Base-Base interactions energy: -20.709 where: short stacking energy: -14.286 Base-Backbone interact. energy: -0.093 local terms energy: -22.834024 where: bonds (distance) C4'-P energy: -5.850 bonds (distance) P-C4' energy: -5.803 flat angles C4'-P-C4' energy: -2.394 flat angles P-C4'-P energy: -5.141 tors. eta vs tors. theta energy: -3.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -50.226375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.226375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.226375 (E_RNA) where: Base-Base interactions energy: -19.123 where: short stacking energy: -19.123 Base-Backbone interact. energy: -0.010 local terms energy: -31.092524 where: bonds (distance) C4'-P energy: -6.417 bonds (distance) P-C4' energy: -5.606 flat angles C4'-P-C4' energy: -7.207 flat angles P-C4'-P energy: -6.633 tors. eta vs tors. theta energy: -5.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -65.592714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.592714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.592714 (E_RNA) where: Base-Base interactions energy: -30.218 where: short stacking energy: -22.577 Base-Backbone interact. energy: -0.008 local terms energy: -35.366945 where: bonds (distance) C4'-P energy: -7.948 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -8.723 flat angles P-C4'-P energy: -5.338 tors. eta vs tors. theta energy: -5.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -68.255845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.255845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.255845 (E_RNA) where: Base-Base interactions energy: -27.125 where: short stacking energy: -27.125 Base-Backbone interact. energy: -0.000 local terms energy: -41.131204 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -9.240 flat angles P-C4'-P energy: -4.653 tors. eta vs tors. theta energy: -10.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -62.028791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.028791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.028791 (E_RNA) where: Base-Base interactions energy: -24.694 where: short stacking energy: -23.193 Base-Backbone interact. energy: -0.058 local terms energy: -37.277382 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -8.362 flat angles P-C4'-P energy: -6.468 tors. eta vs tors. theta energy: -6.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -59.976579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.976579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.976579 (E_RNA) where: Base-Base interactions energy: -27.415 where: short stacking energy: -24.303 Base-Backbone interact. energy: -0.064 local terms energy: -32.497108 where: bonds (distance) C4'-P energy: -6.934 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -8.024 flat angles P-C4'-P energy: -6.117 tors. eta vs tors. theta energy: -3.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -46.419310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.419310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.419310 (E_RNA) where: Base-Base interactions energy: -14.653 where: short stacking energy: -14.653 Base-Backbone interact. energy: -0.001 local terms energy: -31.765434 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -8.199 flat angles P-C4'-P energy: -4.928 tors. eta vs tors. theta energy: -3.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -58.233095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.233095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.233095 (E_RNA) where: Base-Base interactions energy: -25.847 where: short stacking energy: -25.847 Base-Backbone interact. energy: -0.000 local terms energy: -32.385754 where: bonds (distance) C4'-P energy: -5.687 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -6.665 flat angles P-C4'-P energy: -4.657 tors. eta vs tors. theta energy: -7.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -46.336777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.336777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.336777 (E_RNA) where: Base-Base interactions energy: -16.096 where: short stacking energy: -15.772 Base-Backbone interact. energy: -0.096 local terms energy: -30.145293 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.235 flat angles C4'-P-C4' energy: -6.709 flat angles P-C4'-P energy: -6.047 tors. eta vs tors. theta energy: -2.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -42.997796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.997796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.997796 (E_RNA) where: Base-Base interactions energy: -12.981 where: short stacking energy: -12.981 Base-Backbone interact. energy: -0.031 local terms energy: -29.985583 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -7.004 flat angles C4'-P-C4' energy: -8.952 flat angles P-C4'-P energy: -5.164 tors. eta vs tors. theta energy: -1.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -43.773406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.773406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.773406 (E_RNA) where: Base-Base interactions energy: -14.265 where: short stacking energy: -13.090 Base-Backbone interact. energy: -0.006 local terms energy: -29.501941 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -8.880 flat angles C4'-P-C4' energy: -5.192 flat angles P-C4'-P energy: -3.687 tors. eta vs tors. theta energy: -5.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -46.065535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.065535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.065535 (E_RNA) where: Base-Base interactions energy: -18.708 where: short stacking energy: -18.708 Base-Backbone interact. energy: -0.108 local terms energy: -27.249374 where: bonds (distance) C4'-P energy: -5.377 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -8.103 flat angles P-C4'-P energy: -0.800 tors. eta vs tors. theta energy: -4.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -74.396114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.396114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.396114 (E_RNA) where: Base-Base interactions energy: -41.677 where: short stacking energy: -23.242 Base-Backbone interact. energy: -0.030 local terms energy: -32.688733 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -6.909 flat angles P-C4'-P energy: -4.269 tors. eta vs tors. theta energy: -4.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -65.522270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.522270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.522270 (E_RNA) where: Base-Base interactions energy: -26.259 where: short stacking energy: -23.609 Base-Backbone interact. energy: -0.003 local terms energy: -39.260834 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -8.232 flat angles P-C4'-P energy: -7.452 tors. eta vs tors. theta energy: -6.007 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: 3, replica: 3 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -61.297429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.297429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.297429 (E_RNA) where: Base-Base interactions energy: -29.978 where: short stacking energy: -20.119 Base-Backbone interact. energy: -0.871 local terms energy: -30.447985 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -6.655 flat angles P-C4'-P energy: -6.507 tors. eta vs tors. theta energy: -2.335 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: 5 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -53.741750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.741750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.741750 (E_RNA) where: Base-Base interactions energy: -25.163 where: short stacking energy: -21.093 Base-Backbone interact. energy: -0.991 local terms energy: -27.588599 where: bonds (distance) C4'-P energy: -6.144 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -6.272 flat angles P-C4'-P energy: -2.401 tors. eta vs tors. theta energy: -4.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -57.009054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.009054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.009054 (E_RNA) where: Base-Base interactions energy: -27.037 where: short stacking energy: -21.302 Base-Backbone interact. energy: -0.001 local terms energy: -29.971222 where: bonds (distance) C4'-P energy: -6.963 bonds (distance) P-C4' energy: -6.741 flat angles C4'-P-C4' energy: -7.465 flat angles P-C4'-P energy: -4.416 tors. eta vs tors. theta energy: -4.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -54.918851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.918851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.918851 (E_RNA) where: Base-Base interactions energy: -22.245 where: short stacking energy: -22.245 Base-Backbone interact. energy: -0.001 local terms energy: -32.672457 where: bonds (distance) C4'-P energy: -6.093 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.462 flat angles P-C4'-P energy: -4.927 tors. eta vs tors. theta energy: -4.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -47.258164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.258164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.258164 (E_RNA) where: Base-Base interactions energy: -15.990 where: short stacking energy: -17.323 Base-Backbone interact. energy: -0.014 local terms energy: -31.254105 where: bonds (distance) C4'-P energy: -4.015 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -6.519 flat angles P-C4'-P energy: -6.291 tors. eta vs tors. theta energy: -6.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -46.351836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.351836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.351836 (E_RNA) where: Base-Base interactions energy: -17.038 where: short stacking energy: -17.038 Base-Backbone interact. energy: -0.264 local terms energy: -29.049434 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -8.251 flat angles P-C4'-P energy: -0.558 tors. eta vs tors. theta energy: -4.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -38.583437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.583437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.583437 (E_RNA) where: Base-Base interactions energy: -6.628 where: short stacking energy: -6.928 Base-Backbone interact. energy: -0.000 local terms energy: -31.955728 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -5.924 flat angles P-C4'-P energy: -7.143 tors. eta vs tors. theta energy: -2.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -41.830047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.830047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.830047 (E_RNA) where: Base-Base interactions energy: -15.210 where: short stacking energy: -15.210 Base-Backbone interact. energy: -0.028 local terms energy: -26.591833 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -2.201 flat angles C4'-P-C4' energy: -6.662 flat angles P-C4'-P energy: -6.780 tors. eta vs tors. theta energy: -2.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -79.246177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.246177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.246177 (E_RNA) where: Base-Base interactions energy: -37.132 where: short stacking energy: -19.198 Base-Backbone interact. energy: -0.000 local terms energy: -42.113826 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -7.888 flat angles P-C4'-P energy: -6.838 tors. eta vs tors. theta energy: -9.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -69.598660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.598660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.598660 (E_RNA) where: Base-Base interactions energy: -31.242 where: short stacking energy: -31.242 Base-Backbone interact. energy: -0.000 local terms energy: -38.356639 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -8.997 flat angles P-C4'-P energy: -3.946 tors. eta vs tors. theta energy: -9.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -59.892209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.892209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.892209 (E_RNA) where: Base-Base interactions energy: -22.732 where: short stacking energy: -22.732 Base-Backbone interact. energy: -0.000 local terms energy: -37.159780 where: bonds (distance) C4'-P energy: -6.595 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.893 flat angles P-C4'-P energy: -7.427 tors. eta vs tors. theta energy: -6.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -69.394476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.394476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.394476 (E_RNA) where: Base-Base interactions energy: -34.473 where: short stacking energy: -26.671 Base-Backbone interact. energy: -2.120 local terms energy: -32.801928 where: bonds (distance) C4'-P energy: -6.512 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.934 flat angles P-C4'-P energy: -4.512 tors. eta vs tors. theta energy: -6.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -60.333830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.333830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.333830 (E_RNA) where: Base-Base interactions energy: -25.796 where: short stacking energy: -24.014 Base-Backbone interact. energy: -0.000 local terms energy: -34.537001 where: bonds (distance) C4'-P energy: -7.136 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -7.234 flat angles P-C4'-P energy: -5.587 tors. eta vs tors. theta energy: -7.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -51.150216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.150216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.150216 (E_RNA) where: Base-Base interactions energy: -23.697 where: short stacking energy: -23.697 Base-Backbone interact. energy: -0.066 local terms energy: -27.386474 where: bonds (distance) C4'-P energy: -3.319 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -6.706 flat angles P-C4'-P energy: -4.561 tors. eta vs tors. theta energy: -4.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -44.671942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.671942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.671942 (E_RNA) where: Base-Base interactions energy: -17.289 where: short stacking energy: -17.289 Base-Backbone interact. energy: -0.099 local terms energy: -27.284335 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -5.861 flat angles P-C4'-P energy: -4.694 tors. eta vs tors. theta energy: -2.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -38.771064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.771064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.771064 (E_RNA) where: Base-Base interactions energy: -11.475 where: short stacking energy: -10.918 Base-Backbone interact. energy: -0.121 local terms energy: -27.175211 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -2.430 flat angles P-C4'-P energy: -7.254 tors. eta vs tors. theta energy: -1.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -40.820366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.820366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.820366 (E_RNA) where: Base-Base interactions energy: -19.568 where: short stacking energy: -19.568 Base-Backbone interact. energy: -0.015 local terms energy: -21.236860 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -1.773 flat angles P-C4'-P energy: 0.028 tors. eta vs tors. theta energy: -4.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -40.403967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.403967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.403967 (E_RNA) where: Base-Base interactions energy: -16.393 where: short stacking energy: -16.393 Base-Backbone interact. energy: -0.026 local terms energy: -23.984460 where: bonds (distance) C4'-P energy: -4.197 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -7.739 flat angles P-C4'-P energy: -1.826 tors. eta vs tors. theta energy: -2.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -77.682044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.682044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.682044 (E_RNA) where: Base-Base interactions energy: -44.785 where: short stacking energy: -25.533 Base-Backbone interact. energy: -0.018 local terms energy: -32.879271 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -5.484 flat angles C4'-P-C4' energy: -9.541 flat angles P-C4'-P energy: -4.879 tors. eta vs tors. theta energy: -5.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -56.610414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.610414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.610414 (E_RNA) where: Base-Base interactions energy: -24.481 where: short stacking energy: -24.481 Base-Backbone interact. energy: -0.049 local terms energy: -32.080791 where: bonds (distance) C4'-P energy: -6.914 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.553 flat angles P-C4'-P energy: -6.624 tors. eta vs tors. theta energy: -3.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -66.250972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.250972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.250972 (E_RNA) where: Base-Base interactions energy: -26.336 where: short stacking energy: -26.336 Base-Backbone interact. energy: -0.009 local terms energy: -39.905772 where: bonds (distance) C4'-P energy: -7.320 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -8.554 flat angles P-C4'-P energy: -5.285 tors. eta vs tors. theta energy: -8.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -56.750513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.750513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.750513 (E_RNA) where: Base-Base interactions energy: -27.696 where: short stacking energy: -21.464 Base-Backbone interact. energy: -0.671 local terms energy: -28.383321 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -4.773 flat angles C4'-P-C4' energy: -6.305 flat angles P-C4'-P energy: -7.153 tors. eta vs tors. theta energy: -2.386 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: 6 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -58.477637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.477637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.477637 (E_RNA) where: Base-Base interactions energy: -30.037 where: short stacking energy: -18.313 Base-Backbone interact. energy: -0.368 local terms energy: -28.072852 where: bonds (distance) C4'-P energy: -4.359 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -5.762 flat angles P-C4'-P energy: -5.873 tors. eta vs tors. theta energy: -4.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -50.890274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.890274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.890274 (E_RNA) where: Base-Base interactions energy: -22.695 where: short stacking energy: -12.048 Base-Backbone interact. energy: -0.116 local terms energy: -28.079336 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -4.700 flat angles P-C4'-P energy: -4.940 tors. eta vs tors. theta energy: -2.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -45.415048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.415048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.415048 (E_RNA) where: Base-Base interactions energy: -18.083 where: short stacking energy: -17.981 Base-Backbone interact. energy: -0.000 local terms energy: -27.331342 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -6.405 flat angles P-C4'-P energy: -4.039 tors. eta vs tors. theta energy: -3.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -44.518603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.518603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.518603 (E_RNA) where: Base-Base interactions energy: -16.217 where: short stacking energy: -15.194 Base-Backbone interact. energy: -0.003 local terms energy: -28.298882 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -7.938 flat angles C4'-P-C4' energy: -8.315 flat angles P-C4'-P energy: -1.720 tors. eta vs tors. theta energy: -2.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -42.897074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.897074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.897074 (E_RNA) where: Base-Base interactions energy: -13.840 where: short stacking energy: -13.840 Base-Backbone interact. energy: -0.011 local terms energy: -29.045986 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -7.569 flat angles P-C4'-P energy: -4.083 tors. eta vs tors. theta energy: -2.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -38.625583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.625583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.625583 (E_RNA) where: Base-Base interactions energy: -18.033 where: short stacking energy: -16.300 Base-Backbone interact. energy: -0.012 local terms energy: -20.579751 where: bonds (distance) C4'-P energy: -7.878 bonds (distance) P-C4' energy: -4.475 flat angles C4'-P-C4' energy: -3.089 flat angles P-C4'-P energy: -4.592 tors. eta vs tors. theta energy: -0.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -73.144530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.144530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.144530 (E_RNA) where: Base-Base interactions energy: -31.855 where: short stacking energy: -27.651 Base-Backbone interact. energy: -2.937 local terms energy: -38.352480 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.367 flat angles P-C4'-P energy: -7.420 tors. eta vs tors. theta energy: -7.101 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: 2, replica: 5 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -62.412674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.412674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.412674 (E_RNA) where: Base-Base interactions energy: -24.372 where: short stacking energy: -24.372 Base-Backbone interact. energy: -0.000 local terms energy: -38.040562 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.493 flat angles P-C4'-P energy: -5.478 tors. eta vs tors. theta energy: -6.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -54.432503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.432503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.432503 (E_RNA) where: Base-Base interactions energy: -22.476 where: short stacking energy: -22.476 Base-Backbone interact. energy: -0.045 local terms energy: -31.911256 where: bonds (distance) C4'-P energy: -8.420 bonds (distance) P-C4' energy: -5.765 flat angles C4'-P-C4' energy: -8.066 flat angles P-C4'-P energy: -5.435 tors. eta vs tors. theta energy: -4.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -61.928846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.928846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.928846 (E_RNA) where: Base-Base interactions energy: -29.058 where: short stacking energy: -29.058 Base-Backbone interact. energy: -0.051 local terms energy: -32.820285 where: bonds (distance) C4'-P energy: -5.741 bonds (distance) P-C4' energy: -6.526 flat angles C4'-P-C4' energy: -8.048 flat angles P-C4'-P energy: -4.658 tors. eta vs tors. theta energy: -7.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -59.629924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.629924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.629924 (E_RNA) where: Base-Base interactions energy: -30.466 where: short stacking energy: -20.998 Base-Backbone interact. energy: -0.012 local terms energy: -29.151584 where: bonds (distance) C4'-P energy: -6.292 bonds (distance) P-C4' energy: -7.917 flat angles C4'-P-C4' energy: -5.010 flat angles P-C4'-P energy: -4.216 tors. eta vs tors. theta energy: -5.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -56.472560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.472560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.472560 (E_RNA) where: Base-Base interactions energy: -24.987 where: short stacking energy: -24.987 Base-Backbone interact. energy: -0.003 local terms energy: -31.482628 where: bonds (distance) C4'-P energy: -4.755 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.697 flat angles P-C4'-P energy: -4.427 tors. eta vs tors. theta energy: -7.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -46.727065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.727065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.727065 (E_RNA) where: Base-Base interactions energy: -17.532 where: short stacking energy: -17.532 Base-Backbone interact. energy: -0.001 local terms energy: -29.194499 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -7.515 flat angles P-C4'-P energy: -6.450 tors. eta vs tors. theta energy: -3.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -46.550175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.550175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.550175 (E_RNA) where: Base-Base interactions energy: -11.993 where: short stacking energy: -12.231 Base-Backbone interact. energy: -0.071 local terms energy: -34.486696 where: bonds (distance) C4'-P energy: -6.529 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -6.414 flat angles P-C4'-P energy: -5.606 tors. eta vs tors. theta energy: -6.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -56.539241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.539241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.539241 (E_RNA) where: Base-Base interactions energy: -29.021 where: short stacking energy: -21.165 Base-Backbone interact. energy: -0.002 local terms energy: -27.515420 where: bonds (distance) C4'-P energy: -4.409 bonds (distance) P-C4' energy: -3.475 flat angles C4'-P-C4' energy: -6.455 flat angles P-C4'-P energy: -5.684 tors. eta vs tors. theta energy: -7.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -40.026654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.026654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.026654 (E_RNA) where: Base-Base interactions energy: -13.681 where: short stacking energy: -13.681 Base-Backbone interact. energy: -0.000 local terms energy: -26.345109 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -6.143 flat angles P-C4'-P energy: -1.803 tors. eta vs tors. theta energy: -1.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -79.477860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.477860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.477860 (E_RNA) where: Base-Base interactions energy: -44.600 where: short stacking energy: -21.333 Base-Backbone interact. energy: -0.001 local terms energy: -34.877635 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -8.060 flat angles P-C4'-P energy: -3.235 tors. eta vs tors. theta energy: -7.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -53.734279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.734279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.734279 (E_RNA) where: Base-Base interactions energy: -22.923 where: short stacking energy: -22.923 Base-Backbone interact. energy: -0.018 local terms energy: -30.793475 where: bonds (distance) C4'-P energy: -6.943 bonds (distance) P-C4' energy: -5.511 flat angles C4'-P-C4' energy: -8.285 flat angles P-C4'-P energy: -6.559 tors. eta vs tors. theta energy: -3.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -68.370473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.370473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.370473 (E_RNA) where: Base-Base interactions energy: -30.176 where: short stacking energy: -30.176 Base-Backbone interact. energy: -0.000 local terms energy: -38.194830 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -8.355 flat angles P-C4'-P energy: -6.130 tors. eta vs tors. theta energy: -8.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -65.366152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.366152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.366152 (E_RNA) where: Base-Base interactions energy: -28.841 where: short stacking energy: -28.841 Base-Backbone interact. energy: -0.000 local terms energy: -36.524772 where: bonds (distance) C4'-P energy: -5.477 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -8.458 flat angles P-C4'-P energy: -7.062 tors. eta vs tors. theta energy: -7.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -51.603054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.603054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.603054 (E_RNA) where: Base-Base interactions energy: -18.844 where: short stacking energy: -18.844 Base-Backbone interact. energy: -0.024 local terms energy: -32.734094 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -7.698 flat angles P-C4'-P energy: -3.682 tors. eta vs tors. theta energy: -4.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -53.807383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.807383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.807383 (E_RNA) where: Base-Base interactions energy: -26.652 where: short stacking energy: -23.227 Base-Backbone interact. energy: -0.015 local terms energy: -27.140973 where: bonds (distance) C4'-P energy: -6.449 bonds (distance) P-C4' energy: -5.310 flat angles C4'-P-C4' energy: -7.624 flat angles P-C4'-P energy: -3.375 tors. eta vs tors. theta energy: -4.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -47.039987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.039987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.039987 (E_RNA) where: Base-Base interactions energy: -21.778 where: short stacking energy: -7.434 Base-Backbone interact. energy: -0.228 local terms energy: -25.033765 where: bonds (distance) C4'-P energy: -6.702 bonds (distance) P-C4' energy: -7.517 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -5.690 tors. eta vs tors. theta energy: 0.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -42.454670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.454670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.454670 (E_RNA) where: Base-Base interactions energy: -19.016 where: short stacking energy: -16.891 Base-Backbone interact. energy: 2.070 local terms energy: -25.508337 where: bonds (distance) C4'-P energy: -6.184 bonds (distance) P-C4' energy: -6.272 flat angles C4'-P-C4' energy: -6.806 flat angles P-C4'-P energy: -4.651 tors. eta vs tors. theta energy: -1.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -43.309685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.309685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.309685 (E_RNA) where: Base-Base interactions energy: -14.990 where: short stacking energy: -10.701 Base-Backbone interact. energy: -0.003 local terms energy: -28.317187 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -7.183 flat angles C4'-P-C4' energy: -7.536 flat angles P-C4'-P energy: -2.006 tors. eta vs tors. theta energy: -4.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -41.014553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.014553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.014553 (E_RNA) where: Base-Base interactions energy: -17.468 where: short stacking energy: -13.804 Base-Backbone interact. energy: -0.111 local terms energy: -23.435304 where: bonds (distance) C4'-P energy: -5.271 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -4.299 flat angles P-C4'-P energy: -5.662 tors. eta vs tors. theta energy: -0.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -80.467818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.467818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.467818 (E_RNA) where: Base-Base interactions energy: -41.888 where: short stacking energy: -21.704 Base-Backbone interact. energy: -0.002 local terms energy: -38.578042 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -7.361 flat angles P-C4'-P energy: -6.672 tors. eta vs tors. theta energy: -8.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -65.653881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.653881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.653881 (E_RNA) where: Base-Base interactions energy: -27.557 where: short stacking energy: -27.557 Base-Backbone interact. energy: -0.000 local terms energy: -38.096922 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -8.189 flat angles P-C4'-P energy: -5.598 tors. eta vs tors. theta energy: -8.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -52.742297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.742297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.742297 (E_RNA) where: Base-Base interactions energy: -19.157 where: short stacking energy: -19.157 Base-Backbone interact. energy: -0.000 local terms energy: -33.584820 where: bonds (distance) C4'-P energy: -8.698 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.483 flat angles P-C4'-P energy: -4.494 tors. eta vs tors. theta energy: -3.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -55.808537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.808537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.808537 (E_RNA) where: Base-Base interactions energy: -22.453 where: short stacking energy: -22.453 Base-Backbone interact. energy: -0.000 local terms energy: -33.355543 where: bonds (distance) C4'-P energy: -8.280 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -8.911 flat angles P-C4'-P energy: -2.854 tors. eta vs tors. theta energy: -4.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -44.059641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.059641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.059641 (E_RNA) where: Base-Base interactions energy: -21.123 where: short stacking energy: -21.123 Base-Backbone interact. energy: -0.087 local terms energy: -22.849299 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -5.169 flat angles P-C4'-P energy: -3.085 tors. eta vs tors. theta energy: -0.077 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: 4 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -55.602955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.602955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.602955 (E_RNA) where: Base-Base interactions energy: -27.486 where: short stacking energy: -21.468 Base-Backbone interact. energy: -0.016 local terms energy: -28.100784 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -3.269 flat angles P-C4'-P energy: -4.494 tors. eta vs tors. theta energy: -4.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -53.153211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.153211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.153211 (E_RNA) where: Base-Base interactions energy: -26.803 where: short stacking energy: -19.914 Base-Backbone interact. energy: -0.041 local terms energy: -26.309232 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -8.057 flat angles P-C4'-P energy: -2.265 tors. eta vs tors. theta energy: -1.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -52.637806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.637806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.637806 (E_RNA) where: Base-Base interactions energy: -19.991 where: short stacking energy: -19.991 Base-Backbone interact. energy: -0.000 local terms energy: -32.646203 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -7.580 flat angles C4'-P-C4' energy: -7.209 flat angles P-C4'-P energy: -3.293 tors. eta vs tors. theta energy: -6.757 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: 9, replica: 1 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -45.371866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.371866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.371866 (E_RNA) where: Base-Base interactions energy: -18.618 where: short stacking energy: -18.618 Base-Backbone interact. energy: -0.002 local terms energy: -26.752035 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.416 flat angles P-C4'-P energy: -0.611 tors. eta vs tors. theta energy: -4.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -36.959245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.959245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.959245 (E_RNA) where: Base-Base interactions energy: -10.860 where: short stacking energy: -10.860 Base-Backbone interact. energy: 0.006 local terms energy: -26.104664 where: bonds (distance) C4'-P energy: -5.986 bonds (distance) P-C4' energy: -8.327 flat angles C4'-P-C4' energy: -5.566 flat angles P-C4'-P energy: -4.845 tors. eta vs tors. theta energy: -1.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -73.634711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.634711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.634711 (E_RNA) where: Base-Base interactions energy: -33.981 where: short stacking energy: -33.981 Base-Backbone interact. energy: -0.000 local terms energy: -39.653474 where: bonds (distance) C4'-P energy: -7.278 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.985 flat angles P-C4'-P energy: -5.261 tors. eta vs tors. theta energy: -9.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -80.363885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.363885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.363885 (E_RNA) where: Base-Base interactions energy: -42.592 where: short stacking energy: -32.366 Base-Backbone interact. energy: -0.002 local terms energy: -37.770359 where: bonds (distance) C4'-P energy: -9.252 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -6.133 flat angles P-C4'-P energy: -6.137 tors. eta vs tors. theta energy: -9.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -56.294322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.294322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.294322 (E_RNA) where: Base-Base interactions energy: -22.868 where: short stacking energy: -22.868 Base-Backbone interact. energy: -0.056 local terms energy: -33.370117 where: bonds (distance) C4'-P energy: -4.942 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -7.359 flat angles P-C4'-P energy: -6.808 tors. eta vs tors. theta energy: -5.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -55.809368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.809368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.809368 (E_RNA) where: Base-Base interactions energy: -22.321 where: short stacking energy: -22.321 Base-Backbone interact. energy: -0.000 local terms energy: -33.487831 where: bonds (distance) C4'-P energy: -7.224 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -6.190 flat angles P-C4'-P energy: -6.053 tors. eta vs tors. theta energy: -5.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -60.367278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.367278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.367278 (E_RNA) where: Base-Base interactions energy: -27.764 where: short stacking energy: -27.764 Base-Backbone interact. energy: -0.497 local terms energy: -32.106705 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -5.809 flat angles P-C4'-P energy: -4.837 tors. eta vs tors. theta energy: -4.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -60.746177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.746177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.746177 (E_RNA) where: Base-Base interactions energy: -26.670 where: short stacking energy: -26.670 Base-Backbone interact. energy: -0.000 local terms energy: -34.076175 where: bonds (distance) C4'-P energy: -7.099 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -7.509 flat angles P-C4'-P energy: -4.155 tors. eta vs tors. theta energy: -5.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -48.803076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.803076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.803076 (E_RNA) where: Base-Base interactions energy: -23.762 where: short stacking energy: -23.762 Base-Backbone interact. energy: -0.000 local terms energy: -25.041153 where: bonds (distance) C4'-P energy: -1.475 bonds (distance) P-C4' energy: -5.367 flat angles C4'-P-C4' energy: -6.978 flat angles P-C4'-P energy: -3.590 tors. eta vs tors. theta energy: -7.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -43.304977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.304977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.304977 (E_RNA) where: Base-Base interactions energy: -16.297 where: short stacking energy: -13.809 Base-Backbone interact. energy: -0.200 local terms energy: -26.807609 where: bonds (distance) C4'-P energy: -4.569 bonds (distance) P-C4' energy: -8.500 flat angles C4'-P-C4' energy: -6.424 flat angles P-C4'-P energy: -4.177 tors. eta vs tors. theta energy: -3.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -45.916038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.916038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.916038 (E_RNA) where: Base-Base interactions energy: -15.123 where: short stacking energy: -15.123 Base-Backbone interact. energy: -0.006 local terms energy: -30.787241 where: bonds (distance) C4'-P energy: -6.620 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -9.433 flat angles P-C4'-P energy: -1.282 tors. eta vs tors. theta energy: -5.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -41.597175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.597175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.597175 (E_RNA) where: Base-Base interactions energy: -15.944 where: short stacking energy: -12.185 Base-Backbone interact. energy: -0.047 local terms energy: -25.606732 where: bonds (distance) C4'-P energy: -5.228 bonds (distance) P-C4' energy: -5.919 flat angles C4'-P-C4' energy: -7.952 flat angles P-C4'-P energy: -4.627 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: 1, replica: 6 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -73.836296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.836296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.836296 (E_RNA) where: Base-Base interactions energy: -35.541 where: short stacking energy: -28.217 Base-Backbone interact. energy: -0.492 local terms energy: -37.803687 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -9.184 flat angles P-C4'-P energy: -2.509 tors. eta vs tors. theta energy: -9.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -64.154115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.154115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.154115 (E_RNA) where: Base-Base interactions energy: -27.080 where: short stacking energy: -26.101 Base-Backbone interact. energy: -0.000 local terms energy: -37.074340 where: bonds (distance) C4'-P energy: -7.438 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -9.056 flat angles P-C4'-P energy: -5.527 tors. eta vs tors. theta energy: -7.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -65.910891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.910891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.910891 (E_RNA) where: Base-Base interactions energy: -30.210 where: short stacking energy: -30.210 Base-Backbone interact. energy: -0.039 local terms energy: -35.662135 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -8.439 flat angles C4'-P-C4' energy: -7.359 flat angles P-C4'-P energy: -6.185 tors. eta vs tors. theta energy: -6.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -49.680281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.680281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.680281 (E_RNA) where: Base-Base interactions energy: -17.723 where: short stacking energy: -17.723 Base-Backbone interact. energy: -0.000 local terms energy: -31.956666 where: bonds (distance) C4'-P energy: -6.732 bonds (distance) P-C4' energy: -8.179 flat angles C4'-P-C4' energy: -7.963 flat angles P-C4'-P energy: -4.893 tors. eta vs tors. theta energy: -4.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -51.160037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.160037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.160037 (E_RNA) where: Base-Base interactions energy: -16.384 where: short stacking energy: -16.384 Base-Backbone interact. energy: -0.003 local terms energy: -34.773524 where: bonds (distance) C4'-P energy: -7.079 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -9.094 flat angles P-C4'-P energy: -5.202 tors. eta vs tors. theta energy: -4.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -50.152445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.152445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.152445 (E_RNA) where: Base-Base interactions energy: -16.523 where: short stacking energy: -16.523 Base-Backbone interact. energy: -0.000 local terms energy: -33.629601 where: bonds (distance) C4'-P energy: -6.744 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -8.375 flat angles P-C4'-P energy: -5.606 tors. eta vs tors. theta energy: -4.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -47.443599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.443599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.443599 (E_RNA) where: Base-Base interactions energy: -17.992 where: short stacking energy: -18.592 Base-Backbone interact. energy: -0.000 local terms energy: -29.451171 where: bonds (distance) C4'-P energy: -7.730 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -6.985 flat angles P-C4'-P energy: -3.821 tors. eta vs tors. theta energy: -2.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -45.739699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.739699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.739699 (E_RNA) where: Base-Base interactions energy: -17.180 where: short stacking energy: -17.180 Base-Backbone interact. energy: -0.087 local terms energy: -28.473519 where: bonds (distance) C4'-P energy: -4.951 bonds (distance) P-C4' energy: -8.504 flat angles C4'-P-C4' energy: -8.316 flat angles P-C4'-P energy: -5.521 tors. eta vs tors. theta energy: -1.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -36.658760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.658760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.658760 (E_RNA) where: Base-Base interactions energy: -7.856 where: short stacking energy: -7.856 Base-Backbone interact. energy: -0.103 local terms energy: -28.699202 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.013 flat angles P-C4'-P energy: -6.985 tors. eta vs tors. theta energy: 2.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -49.608185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.608185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.608185 (E_RNA) where: Base-Base interactions energy: -18.649 where: short stacking energy: -18.649 Base-Backbone interact. energy: -0.015 local terms energy: -30.943968 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -4.314 flat angles P-C4'-P energy: -6.389 tors. eta vs tors. theta energy: -5.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -65.766636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.766636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.766636 (E_RNA) where: Base-Base interactions energy: -29.834 where: short stacking energy: -29.834 Base-Backbone interact. energy: -0.171 local terms energy: -35.761001 where: bonds (distance) C4'-P energy: -6.300 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -8.932 flat angles P-C4'-P energy: -3.916 tors. eta vs tors. theta energy: -7.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -73.986716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.986716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.986716 (E_RNA) where: Base-Base interactions energy: -35.010 where: short stacking energy: -28.986 Base-Backbone interact. energy: -0.035 local terms energy: -38.941504 where: bonds (distance) C4'-P energy: -6.263 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.538 flat angles P-C4'-P energy: -6.954 tors. eta vs tors. theta energy: -10.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -51.387788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.387788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.387788 (E_RNA) where: Base-Base interactions energy: -24.452 where: short stacking energy: -24.452 Base-Backbone interact. energy: -0.000 local terms energy: -26.935085 where: bonds (distance) C4'-P energy: -4.951 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -6.978 flat angles P-C4'-P energy: -0.203 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: 4, replica: 2 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -58.378779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.378779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.378779 (E_RNA) where: Base-Base interactions energy: -24.615 where: short stacking energy: -23.922 Base-Backbone interact. energy: -0.003 local terms energy: -33.760008 where: bonds (distance) C4'-P energy: -7.716 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.751 flat angles P-C4'-P energy: -5.960 tors. eta vs tors. theta energy: -6.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -52.695704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.695704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.695704 (E_RNA) where: Base-Base interactions energy: -22.574 where: short stacking energy: -22.574 Base-Backbone interact. energy: -0.017 local terms energy: -30.104793 where: bonds (distance) C4'-P energy: -5.803 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -6.656 flat angles P-C4'-P energy: -3.730 tors. eta vs tors. theta energy: -5.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -58.334222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.334222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.334222 (E_RNA) where: Base-Base interactions energy: -24.221 where: short stacking energy: -24.221 Base-Backbone interact. energy: -0.000 local terms energy: -34.113372 where: bonds (distance) C4'-P energy: -6.983 bonds (distance) P-C4' energy: -6.738 flat angles C4'-P-C4' energy: -4.493 flat angles P-C4'-P energy: -7.303 tors. eta vs tors. theta energy: -8.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -54.246765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.246765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.246765 (E_RNA) where: Base-Base interactions energy: -22.683 where: short stacking energy: -22.683 Base-Backbone interact. energy: -0.058 local terms energy: -31.505644 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -4.268 flat angles C4'-P-C4' energy: -8.306 flat angles P-C4'-P energy: -5.488 tors. eta vs tors. theta energy: -4.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -42.357808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.357808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.357808 (E_RNA) where: Base-Base interactions energy: -16.939 where: short stacking energy: -16.939 Base-Backbone interact. energy: -0.084 local terms energy: -25.334732 where: bonds (distance) C4'-P energy: -5.713 bonds (distance) P-C4' energy: -3.541 flat angles C4'-P-C4' energy: -7.232 flat angles P-C4'-P energy: -4.756 tors. eta vs tors. theta energy: -4.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -47.817816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.817816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.817816 (E_RNA) where: Base-Base interactions energy: -17.978 where: short stacking energy: -17.978 Base-Backbone interact. energy: -0.088 local terms energy: -29.751177 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -8.542 flat angles P-C4'-P energy: -5.063 tors. eta vs tors. theta energy: -1.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -40.396359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.396359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.396359 (E_RNA) where: Base-Base interactions energy: -16.827 where: short stacking energy: -16.827 Base-Backbone interact. energy: -0.115 local terms energy: -23.454140 where: bonds (distance) C4'-P energy: -4.806 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -7.522 flat angles P-C4'-P energy: -4.588 tors. eta vs tors. theta energy: -0.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -61.711427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.711427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.711427 (E_RNA) where: Base-Base interactions energy: -28.097 where: short stacking energy: -28.097 Base-Backbone interact. energy: -0.000 local terms energy: -33.614514 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.685 flat angles P-C4'-P energy: -3.253 tors. eta vs tors. theta energy: -5.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -61.563308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.563308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.563308 (E_RNA) where: Base-Base interactions energy: -23.361 where: short stacking energy: -23.361 Base-Backbone interact. energy: -0.000 local terms energy: -38.201809 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -7.296 flat angles P-C4'-P energy: -6.091 tors. eta vs tors. theta energy: -7.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -58.408732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.408732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.408732 (E_RNA) where: Base-Base interactions energy: -22.944 where: short stacking energy: -22.944 Base-Backbone interact. energy: -0.000 local terms energy: -35.464478 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -7.491 flat angles C4'-P-C4' energy: -7.872 flat angles P-C4'-P energy: -4.359 tors. eta vs tors. theta energy: -7.062 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: 2 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -59.611376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.611376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.611376 (E_RNA) where: Base-Base interactions energy: -27.014 where: short stacking energy: -21.471 Base-Backbone interact. energy: -0.032 local terms energy: -32.565939 where: bonds (distance) C4'-P energy: -7.700 bonds (distance) P-C4' energy: -4.632 flat angles C4'-P-C4' energy: -8.107 flat angles P-C4'-P energy: -5.290 tors. eta vs tors. theta energy: -6.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -47.228506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.228506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.228506 (E_RNA) where: Base-Base interactions energy: -22.496 where: short stacking energy: -16.326 Base-Backbone interact. energy: -0.054 local terms energy: -24.679169 where: bonds (distance) C4'-P energy: -5.763 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -5.163 flat angles P-C4'-P energy: -2.113 tors. eta vs tors. theta energy: -2.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -53.271212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.271212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.271212 (E_RNA) where: Base-Base interactions energy: -25.978 where: short stacking energy: -25.978 Base-Backbone interact. energy: -0.013 local terms energy: -27.280198 where: bonds (distance) C4'-P energy: -6.255 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -4.958 flat angles P-C4'-P energy: -2.718 tors. eta vs tors. theta energy: -5.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -49.271537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.271537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.271537 (E_RNA) where: Base-Base interactions energy: -21.929 where: short stacking energy: -20.085 Base-Backbone interact. energy: -0.003 local terms energy: -27.339513 where: bonds (distance) C4'-P energy: -6.123 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -5.452 flat angles P-C4'-P energy: -3.790 tors. eta vs tors. theta energy: -5.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -47.599539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.599539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.599539 (E_RNA) where: Base-Base interactions energy: -21.750 where: short stacking energy: -19.212 Base-Backbone interact. energy: -0.041 local terms energy: -25.808813 where: bonds (distance) C4'-P energy: -4.914 bonds (distance) P-C4' energy: -7.062 flat angles C4'-P-C4' energy: -6.255 flat angles P-C4'-P energy: -3.507 tors. eta vs tors. theta energy: -4.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -39.710021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.710021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.710021 (E_RNA) where: Base-Base interactions energy: -17.259 where: short stacking energy: -16.072 Base-Backbone interact. energy: -0.100 local terms energy: -22.350272 where: bonds (distance) C4'-P energy: -6.893 bonds (distance) P-C4' energy: -5.005 flat angles C4'-P-C4' energy: -6.665 flat angles P-C4'-P energy: -3.028 tors. eta vs tors. theta energy: -0.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -41.942529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.942529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.942529 (E_RNA) where: Base-Base interactions energy: -16.914 where: short stacking energy: -16.914 Base-Backbone interact. energy: -0.082 local terms energy: -24.946894 where: bonds (distance) C4'-P energy: -6.648 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -6.211 flat angles P-C4'-P energy: -2.174 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: 10 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -69.965374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.965374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.965374 (E_RNA) where: Base-Base interactions energy: -31.881 where: short stacking energy: -31.881 Base-Backbone interact. energy: -0.000 local terms energy: -38.084386 where: bonds (distance) C4'-P energy: -5.360 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -7.695 flat angles P-C4'-P energy: -5.944 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: 2, replica: 4 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -56.337614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.337614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.337614 (E_RNA) where: Base-Base interactions energy: -24.747 where: short stacking energy: -12.370 Base-Backbone interact. energy: -0.026 local terms energy: -31.564336 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -9.380 flat angles P-C4'-P energy: -7.043 tors. eta vs tors. theta energy: 1.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -61.395778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.395778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.395778 (E_RNA) where: Base-Base interactions energy: -27.588 where: short stacking energy: -27.588 Base-Backbone interact. energy: -0.000 local terms energy: -33.807304 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -7.078 flat angles P-C4'-P energy: -6.415 tors. eta vs tors. theta energy: -5.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -54.909600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.909600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.909600 (E_RNA) where: Base-Base interactions energy: -26.765 where: short stacking energy: -23.142 Base-Backbone interact. energy: -0.026 local terms energy: -28.119159 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -4.579 flat angles C4'-P-C4' energy: -7.561 flat angles P-C4'-P energy: -4.219 tors. eta vs tors. theta energy: -4.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -73.371410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.371410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.371410 (E_RNA) where: Base-Base interactions energy: -42.873 where: short stacking energy: -23.513 Base-Backbone interact. energy: 0.260 local terms energy: -30.758167 where: bonds (distance) C4'-P energy: -5.833 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -8.216 flat angles P-C4'-P energy: -5.084 tors. eta vs tors. theta energy: -2.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -47.123725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.123725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.123725 (E_RNA) where: Base-Base interactions energy: -17.462 where: short stacking energy: -17.462 Base-Backbone interact. energy: -0.109 local terms energy: -29.552582 where: bonds (distance) C4'-P energy: -5.970 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -4.440 flat angles P-C4'-P energy: -6.391 tors. eta vs tors. theta energy: -4.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -43.417760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.417760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.417760 (E_RNA) where: Base-Base interactions energy: -13.218 where: short stacking energy: -13.218 Base-Backbone interact. energy: -0.069 local terms energy: -30.130802 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -8.330 flat angles C4'-P-C4' energy: -6.370 flat angles P-C4'-P energy: -4.008 tors. eta vs tors. theta energy: -3.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -50.806264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.806264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.806264 (E_RNA) where: Base-Base interactions energy: -21.709 where: short stacking energy: -21.709 Base-Backbone interact. energy: -0.000 local terms energy: -29.097199 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.887 flat angles P-C4'-P energy: -3.004 tors. eta vs tors. theta energy: -2.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -45.145790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.145790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.145790 (E_RNA) where: Base-Base interactions energy: -17.862 where: short stacking energy: -15.991 Base-Backbone interact. energy: -0.007 local terms energy: -27.277086 where: bonds (distance) C4'-P energy: -7.082 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -6.863 flat angles P-C4'-P energy: -2.140 tors. eta vs tors. theta energy: -2.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -40.750608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.750608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.750608 (E_RNA) where: Base-Base interactions energy: -17.187 where: short stacking energy: -15.415 Base-Backbone interact. energy: -0.020 local terms energy: -23.543497 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -3.202 flat angles P-C4'-P energy: -5.206 tors. eta vs tors. theta energy: -2.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -67.039336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.039336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.039336 (E_RNA) where: Base-Base interactions energy: -29.917 where: short stacking energy: -29.917 Base-Backbone interact. energy: -0.032 local terms energy: -37.090466 where: bonds (distance) C4'-P energy: -4.873 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -8.468 flat angles P-C4'-P energy: -6.440 tors. eta vs tors. theta energy: -9.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -67.039957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.039957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.039957 (E_RNA) where: Base-Base interactions energy: -30.885 where: short stacking energy: -30.885 Base-Backbone interact. energy: -0.000 local terms energy: -36.154888 where: bonds (distance) C4'-P energy: -5.403 bonds (distance) P-C4' energy: -7.340 flat angles C4'-P-C4' energy: -9.263 flat angles P-C4'-P energy: -5.208 tors. eta vs tors. theta energy: -8.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -59.103836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.103836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.103836 (E_RNA) where: Base-Base interactions energy: -25.286 where: short stacking energy: -25.286 Base-Backbone interact. energy: -0.025 local terms energy: -33.793670 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -7.400 flat angles C4'-P-C4' energy: -7.696 flat angles P-C4'-P energy: -6.380 tors. eta vs tors. theta energy: -4.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -60.239158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.239158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.239158 (E_RNA) where: Base-Base interactions energy: -28.786 where: short stacking energy: -18.417 Base-Backbone interact. energy: -0.024 local terms energy: -31.429183 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -7.042 flat angles P-C4'-P energy: -5.922 tors. eta vs tors. theta energy: -3.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -54.179612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.179612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.179612 (E_RNA) where: Base-Base interactions energy: -18.926 where: short stacking energy: -14.567 Base-Backbone interact. energy: -0.030 local terms energy: -35.223263 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -6.957 flat angles P-C4'-P energy: -6.486 tors. eta vs tors. theta energy: -5.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -55.848176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.848176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.848176 (E_RNA) where: Base-Base interactions energy: -24.491 where: short stacking energy: -23.809 Base-Backbone interact. energy: -0.000 local terms energy: -31.357531 where: bonds (distance) C4'-P energy: -6.202 bonds (distance) P-C4' energy: -8.570 flat angles C4'-P-C4' energy: -5.651 flat angles P-C4'-P energy: -3.786 tors. eta vs tors. theta energy: -7.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -55.500995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.500995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.500995 (E_RNA) where: Base-Base interactions energy: -22.650 where: short stacking energy: -22.650 Base-Backbone interact. energy: -0.000 local terms energy: -32.850517 where: bonds (distance) C4'-P energy: -9.144 bonds (distance) P-C4' energy: -8.121 flat angles C4'-P-C4' energy: -4.640 flat angles P-C4'-P energy: -3.282 tors. eta vs tors. theta energy: -7.663 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: 8 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -39.115830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.115830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.115830 (E_RNA) where: Base-Base interactions energy: -13.596 where: short stacking energy: -10.977 Base-Backbone interact. energy: -0.030 local terms energy: -25.489731 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -6.752 flat angles P-C4'-P energy: -4.043 tors. eta vs tors. theta energy: -1.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -48.350823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.350823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.350823 (E_RNA) where: Base-Base interactions energy: -22.662 where: short stacking energy: -17.755 Base-Backbone interact. energy: -0.000 local terms energy: -25.688284 where: bonds (distance) C4'-P energy: -4.261 bonds (distance) P-C4' energy: -5.903 flat angles C4'-P-C4' energy: -8.100 flat angles P-C4'-P energy: -4.565 tors. eta vs tors. theta energy: -2.859 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: 10, replica: 7 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -42.320234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.320234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.320234 (E_RNA) where: Base-Base interactions energy: -12.465 where: short stacking energy: -11.926 Base-Backbone interact. energy: -0.030 local terms energy: -29.825056 where: bonds (distance) C4'-P energy: -6.850 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -7.608 flat angles P-C4'-P energy: -5.496 tors. eta vs tors. theta energy: -1.203 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: 4 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -69.095075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.095075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.095075 (E_RNA) where: Base-Base interactions energy: -31.551 where: short stacking energy: -31.551 Base-Backbone interact. energy: -0.000 local terms energy: -37.543392 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -7.264 flat angles P-C4'-P energy: -5.463 tors. eta vs tors. theta energy: -9.898 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: 2, replica: 10 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -63.632695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.632695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.632695 (E_RNA) where: Base-Base interactions energy: -25.975 where: short stacking energy: -25.975 Base-Backbone interact. energy: -0.001 local terms energy: -37.656492 where: bonds (distance) C4'-P energy: -3.282 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -8.478 flat angles P-C4'-P energy: -6.671 tors. eta vs tors. theta energy: -9.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -57.717934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.717934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.717934 (E_RNA) where: Base-Base interactions energy: -21.633 where: short stacking energy: -20.384 Base-Backbone interact. energy: -0.052 local terms energy: -36.032898 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -7.315 flat angles P-C4'-P energy: -5.813 tors. eta vs tors. theta energy: -5.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -60.115786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.115786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.115786 (E_RNA) where: Base-Base interactions energy: -25.197 where: short stacking energy: -25.197 Base-Backbone interact. energy: -0.209 local terms energy: -34.709896 where: bonds (distance) C4'-P energy: -7.005 bonds (distance) P-C4' energy: -7.976 flat angles C4'-P-C4' energy: -8.871 flat angles P-C4'-P energy: -6.037 tors. eta vs tors. theta energy: -4.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -58.997850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.997850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.997850 (E_RNA) where: Base-Base interactions energy: -27.881 where: short stacking energy: -27.881 Base-Backbone interact. energy: -0.002 local terms energy: -31.115065 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -5.936 flat angles P-C4'-P energy: -5.833 tors. eta vs tors. theta energy: -6.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -51.318738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.318738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.318738 (E_RNA) where: Base-Base interactions energy: -24.011 where: short stacking energy: -18.809 Base-Backbone interact. energy: 0.629 local terms energy: -27.937099 where: bonds (distance) C4'-P energy: -6.147 bonds (distance) P-C4' energy: -6.218 flat angles C4'-P-C4' energy: -5.027 flat angles P-C4'-P energy: -3.521 tors. eta vs tors. theta energy: -7.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -53.476569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.476569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.476569 (E_RNA) where: Base-Base interactions energy: -19.636 where: short stacking energy: -19.636 Base-Backbone interact. energy: -0.057 local terms energy: -33.783246 where: bonds (distance) C4'-P energy: -7.381 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.838 flat angles P-C4'-P energy: -4.961 tors. eta vs tors. theta energy: -4.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -43.672051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.672051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.672051 (E_RNA) where: Base-Base interactions energy: -12.384 where: short stacking energy: -12.384 Base-Backbone interact. energy: -0.004 local terms energy: -31.283964 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -5.112 flat angles P-C4'-P energy: -5.457 tors. eta vs tors. theta energy: -3.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -44.186753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.186753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.186753 (E_RNA) where: Base-Base interactions energy: -18.477 where: short stacking energy: -18.477 Base-Backbone interact. energy: -0.115 local terms energy: -25.594076 where: bonds (distance) C4'-P energy: -4.065 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -5.423 flat angles P-C4'-P energy: -4.688 tors. eta vs tors. theta energy: -3.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -43.607196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.607196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.607196 (E_RNA) where: Base-Base interactions energy: -19.057 where: short stacking energy: -19.057 Base-Backbone interact. energy: -0.005 local terms energy: -24.544777 where: bonds (distance) C4'-P energy: -3.159 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.908 flat angles P-C4'-P energy: -2.338 tors. eta vs tors. theta energy: -5.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -69.662162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.662162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.662162 (E_RNA) where: Base-Base interactions energy: -35.546 where: short stacking energy: -28.675 Base-Backbone interact. energy: -0.002 local terms energy: -34.113283 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.589 flat angles P-C4'-P energy: -2.289 tors. eta vs tors. theta energy: -6.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -58.378286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.378286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.378286 (E_RNA) where: Base-Base interactions energy: -24.485 where: short stacking energy: -24.485 Base-Backbone interact. energy: -0.100 local terms energy: -33.794147 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.090 flat angles P-C4'-P energy: -2.735 tors. eta vs tors. theta energy: -6.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -58.582654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.582654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.582654 (E_RNA) where: Base-Base interactions energy: -29.881 where: short stacking energy: -26.704 Base-Backbone interact. energy: -0.001 local terms energy: -28.701019 where: bonds (distance) C4'-P energy: -3.008 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -7.235 flat angles P-C4'-P energy: -4.546 tors. eta vs tors. theta energy: -5.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -48.870501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.870501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.870501 (E_RNA) where: Base-Base interactions energy: -16.477 where: short stacking energy: -16.477 Base-Backbone interact. energy: -0.015 local terms energy: -32.378527 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -8.036 flat angles P-C4'-P energy: -5.927 tors. eta vs tors. theta energy: -1.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -60.451625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.451625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.451625 (E_RNA) where: Base-Base interactions energy: -24.299 where: short stacking energy: -22.158 Base-Backbone interact. energy: -0.004 local terms energy: -36.148057 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -6.247 flat angles P-C4'-P energy: -6.452 tors. eta vs tors. theta energy: -5.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -58.997022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.997022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.997022 (E_RNA) where: Base-Base interactions energy: -25.573 where: short stacking energy: -25.573 Base-Backbone interact. energy: -0.000 local terms energy: -33.424010 where: bonds (distance) C4'-P energy: -5.957 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.983 flat angles P-C4'-P energy: -4.375 tors. eta vs tors. theta energy: -7.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -50.963712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.963712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.963712 (E_RNA) where: Base-Base interactions energy: -23.415 where: short stacking energy: -17.522 Base-Backbone interact. energy: -0.027 local terms energy: -27.521226 where: bonds (distance) C4'-P energy: -6.297 bonds (distance) P-C4' energy: -6.058 flat angles C4'-P-C4' energy: -6.646 flat angles P-C4'-P energy: -4.486 tors. eta vs tors. theta energy: -4.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -49.944682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.944682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.944682 (E_RNA) where: Base-Base interactions energy: -18.946 where: short stacking energy: -18.946 Base-Backbone interact. energy: -0.001 local terms energy: -30.997757 where: bonds (distance) C4'-P energy: -6.814 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -7.426 flat angles P-C4'-P energy: -5.926 tors. eta vs tors. theta energy: -3.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -49.549912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.549912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.549912 (E_RNA) where: Base-Base interactions energy: -18.545 where: short stacking energy: -18.545 Base-Backbone interact. energy: -0.002 local terms energy: -31.002652 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -7.420 flat angles P-C4'-P energy: -4.182 tors. eta vs tors. theta energy: -3.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -41.603541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.603541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.603541 (E_RNA) where: Base-Base interactions energy: -10.925 where: short stacking energy: -10.925 Base-Backbone interact. energy: -0.001 local terms energy: -30.677402 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -8.504 flat angles C4'-P-C4' energy: -7.045 flat angles P-C4'-P energy: -5.341 tors. eta vs tors. theta energy: -3.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -62.173720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.173720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.173720 (E_RNA) where: Base-Base interactions energy: -23.975 where: short stacking energy: -23.975 Base-Backbone interact. energy: -0.000 local terms energy: -38.198663 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -6.811 flat angles P-C4'-P energy: -6.744 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: 2, replica: 4 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -64.474844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.474844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.474844 (E_RNA) where: Base-Base interactions energy: -32.152 where: short stacking energy: -32.152 Base-Backbone interact. energy: -0.000 local terms energy: -32.322476 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -3.996 flat angles P-C4'-P energy: -3.723 tors. eta vs tors. theta energy: -8.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -71.824391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.824391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.824391 (E_RNA) where: Base-Base interactions energy: -43.218 where: short stacking energy: -28.843 Base-Backbone interact. energy: -0.000 local terms energy: -28.605935 where: bonds (distance) C4'-P energy: -6.400 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -6.019 flat angles P-C4'-P energy: -2.445 tors. eta vs tors. theta energy: -5.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -58.785201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.785201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.785201 (E_RNA) where: Base-Base interactions energy: -24.642 where: short stacking energy: -24.642 Base-Backbone interact. energy: -0.000 local terms energy: -34.142611 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.653 flat angles P-C4'-P energy: -6.594 tors. eta vs tors. theta energy: -5.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -52.273762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.273762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.273762 (E_RNA) where: Base-Base interactions energy: -23.014 where: short stacking energy: -23.014 Base-Backbone interact. energy: -0.000 local terms energy: -29.259707 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -5.487 flat angles C4'-P-C4' energy: -8.810 flat angles P-C4'-P energy: -1.488 tors. eta vs tors. theta energy: -5.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -49.607058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.607058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.607058 (E_RNA) where: Base-Base interactions energy: -20.229 where: short stacking energy: -20.229 Base-Backbone interact. energy: -0.008 local terms energy: -29.370357 where: bonds (distance) C4'-P energy: -6.413 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.250 flat angles P-C4'-P energy: -1.981 tors. eta vs tors. theta energy: -4.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -52.422319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.422319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.422319 (E_RNA) where: Base-Base interactions energy: -20.126 where: short stacking energy: -15.998 Base-Backbone interact. energy: -0.321 local terms energy: -31.975029 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.088 flat angles P-C4'-P energy: -5.944 tors. eta vs tors. theta energy: -2.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -41.354008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.354008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.354008 (E_RNA) where: Base-Base interactions energy: -13.842 where: short stacking energy: -13.842 Base-Backbone interact. energy: -0.126 local terms energy: -27.386100 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -4.119 flat angles P-C4'-P energy: -4.772 tors. eta vs tors. theta energy: -2.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -37.059918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.059918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.059918 (E_RNA) where: Base-Base interactions energy: -11.289 where: short stacking energy: -10.225 Base-Backbone interact. energy: -0.073 local terms energy: -25.698235 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -5.223 flat angles P-C4'-P energy: -6.399 tors. eta vs tors. theta energy: 2.113 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: 5 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -40.914260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.914260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.914260 (E_RNA) where: Base-Base interactions energy: -16.604 where: short stacking energy: -6.285 Base-Backbone interact. energy: -0.178 local terms energy: -24.132013 where: bonds (distance) C4'-P energy: -7.079 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -6.316 flat angles P-C4'-P energy: -4.733 tors. eta vs tors. theta energy: 1.291 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: 10 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -65.491313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.491313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.491313 (E_RNA) where: Base-Base interactions energy: -35.644 where: short stacking energy: -21.756 Base-Backbone interact. energy: -0.085 local terms energy: -29.761955 where: bonds (distance) C4'-P energy: -6.976 bonds (distance) P-C4' energy: -8.570 flat angles C4'-P-C4' energy: -6.988 flat angles P-C4'-P energy: -4.924 tors. eta vs tors. theta energy: -2.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -68.553183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.553183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.553183 (E_RNA) where: Base-Base interactions energy: -30.868 where: short stacking energy: -30.868 Base-Backbone interact. energy: -0.000 local terms energy: -37.685032 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.562 flat angles P-C4'-P energy: -5.483 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: 3, replica: 6 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -61.463431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.463431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.463431 (E_RNA) where: Base-Base interactions energy: -27.844 where: short stacking energy: -26.952 Base-Backbone interact. energy: -0.002 local terms energy: -33.617090 where: bonds (distance) C4'-P energy: -7.017 bonds (distance) P-C4' energy: -7.576 flat angles C4'-P-C4' energy: -7.787 flat angles P-C4'-P energy: -3.895 tors. eta vs tors. theta energy: -7.342 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: 4, replica: 2 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -56.809934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.809934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.809934 (E_RNA) where: Base-Base interactions energy: -26.480 where: short stacking energy: -26.480 Base-Backbone interact. energy: -0.000 local terms energy: -30.329247 where: bonds (distance) C4'-P energy: -6.504 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -3.889 flat angles P-C4'-P energy: -4.815 tors. eta vs tors. theta energy: -5.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -52.119779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.119779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.119779 (E_RNA) where: Base-Base interactions energy: -22.774 where: short stacking energy: -22.774 Base-Backbone interact. energy: -0.007 local terms energy: -29.339548 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -8.283 flat angles P-C4'-P energy: -4.580 tors. eta vs tors. theta energy: -5.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -47.382542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.382542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.382542 (E_RNA) where: Base-Base interactions energy: -14.458 where: short stacking energy: -11.888 Base-Backbone interact. energy: -0.142 local terms energy: -32.782369 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -9.060 flat angles P-C4'-P energy: -4.796 tors. eta vs tors. theta energy: -0.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -47.655846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.655846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.655846 (E_RNA) where: Base-Base interactions energy: -21.866 where: short stacking energy: -21.866 Base-Backbone interact. energy: -0.001 local terms energy: -25.789302 where: bonds (distance) C4'-P energy: -3.610 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -8.450 flat angles P-C4'-P energy: -0.877 tors. eta vs tors. theta energy: -5.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -39.853854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.853854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.853854 (E_RNA) where: Base-Base interactions energy: -16.382 where: short stacking energy: -16.382 Base-Backbone interact. energy: -0.004 local terms energy: -23.467979 where: bonds (distance) C4'-P energy: -4.198 bonds (distance) P-C4' energy: -7.489 flat angles C4'-P-C4' energy: -6.979 flat angles P-C4'-P energy: -2.939 tors. eta vs tors. theta energy: -1.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -41.646549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.646549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.646549 (E_RNA) where: Base-Base interactions energy: -16.189 where: short stacking energy: -16.189 Base-Backbone interact. energy: -0.007 local terms energy: -25.450507 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -5.656 flat angles C4'-P-C4' energy: -7.099 flat angles P-C4'-P energy: -5.272 tors. eta vs tors. theta energy: -2.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -42.221327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.221327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.221327 (E_RNA) where: Base-Base interactions energy: -15.338 where: short stacking energy: -12.329 Base-Backbone interact. energy: -0.679 local terms energy: -26.204194 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -6.645 flat angles P-C4'-P energy: -2.726 tors. eta vs tors. theta energy: -2.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -61.348718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.348718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.348718 (E_RNA) where: Base-Base interactions energy: -21.537 where: short stacking energy: -21.537 Base-Backbone interact. energy: -0.000 local terms energy: -39.811896 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -8.061 flat angles P-C4'-P energy: -7.849 tors. eta vs tors. theta energy: -6.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -61.965790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.965790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.965790 (E_RNA) where: Base-Base interactions energy: -29.626 where: short stacking energy: -21.626 Base-Backbone interact. energy: -0.016 local terms energy: -32.323615 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.209 flat angles P-C4'-P energy: -3.606 tors. eta vs tors. theta energy: -3.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -64.301959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.301959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.301959 (E_RNA) where: Base-Base interactions energy: -30.873 where: short stacking energy: -30.873 Base-Backbone interact. energy: -0.000 local terms energy: -33.428721 where: bonds (distance) C4'-P energy: -5.759 bonds (distance) P-C4' energy: -7.992 flat angles C4'-P-C4' energy: -6.384 flat angles P-C4'-P energy: -4.176 tors. eta vs tors. theta energy: -9.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -54.951294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.951294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.951294 (E_RNA) where: Base-Base interactions energy: -27.392 where: short stacking energy: -13.079 Base-Backbone interact. energy: -0.049 local terms energy: -27.509601 where: bonds (distance) C4'-P energy: -6.893 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.179 flat angles P-C4'-P energy: -4.888 tors. eta vs tors. theta energy: 0.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -44.521037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.521037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.521037 (E_RNA) where: Base-Base interactions energy: -12.813 where: short stacking energy: -12.813 Base-Backbone interact. energy: -0.022 local terms energy: -31.686519 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -7.741 flat angles P-C4'-P energy: -4.744 tors. eta vs tors. theta energy: -3.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -47.570300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.570300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.570300 (E_RNA) where: Base-Base interactions energy: -17.720 where: short stacking energy: -17.720 Base-Backbone interact. energy: -0.008 local terms energy: -29.842722 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -8.376 flat angles P-C4'-P energy: -3.585 tors. eta vs tors. theta energy: -3.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -48.668078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.668078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.668078 (E_RNA) where: Base-Base interactions energy: -19.304 where: short stacking energy: -19.304 Base-Backbone interact. energy: -0.001 local terms energy: -29.363806 where: bonds (distance) C4'-P energy: -6.395 bonds (distance) P-C4' energy: -6.892 flat angles C4'-P-C4' energy: -7.357 flat angles P-C4'-P energy: -5.197 tors. eta vs tors. theta energy: -3.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -41.769658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.769658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.769658 (E_RNA) where: Base-Base interactions energy: -19.613 where: short stacking energy: -19.613 Base-Backbone interact. energy: -0.600 local terms energy: -21.556056 where: bonds (distance) C4'-P energy: -5.716 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.113 flat angles P-C4'-P energy: -0.892 tors. eta vs tors. theta energy: -4.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -47.671414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.671414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.671414 (E_RNA) where: Base-Base interactions energy: -15.338 where: short stacking energy: -15.338 Base-Backbone interact. energy: -0.036 local terms energy: -32.297595 where: bonds (distance) C4'-P energy: -6.805 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -9.372 flat angles P-C4'-P energy: -1.501 tors. eta vs tors. theta energy: -5.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -48.503956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.503956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.503956 (E_RNA) where: Base-Base interactions energy: -21.085 where: short stacking energy: -21.085 Base-Backbone interact. energy: -0.065 local terms energy: -27.354100 where: bonds (distance) C4'-P energy: -7.100 bonds (distance) P-C4' energy: -5.790 flat angles C4'-P-C4' energy: -8.597 flat angles P-C4'-P energy: -0.968 tors. eta vs tors. theta energy: -4.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -55.180718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.180718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.180718 (E_RNA) where: Base-Base interactions energy: -21.296 where: short stacking energy: -21.296 Base-Backbone interact. energy: -0.000 local terms energy: -33.884856 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -6.523 flat angles C4'-P-C4' energy: -7.866 flat angles P-C4'-P energy: -6.559 tors. eta vs tors. theta energy: -4.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -74.836471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.836471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.836471 (E_RNA) where: Base-Base interactions energy: -44.425 where: short stacking energy: -22.729 Base-Backbone interact. energy: 0.959 local terms energy: -31.370807 where: bonds (distance) C4'-P energy: -6.292 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -8.224 flat angles P-C4'-P energy: -2.640 tors. eta vs tors. theta energy: -4.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -60.122062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.122062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.122062 (E_RNA) where: Base-Base interactions energy: -27.905 where: short stacking energy: -27.905 Base-Backbone interact. energy: 0.404 local terms energy: -32.621038 where: bonds (distance) C4'-P energy: -5.166 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.449 flat angles P-C4'-P energy: -5.493 tors. eta vs tors. theta energy: -5.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -52.037920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.037920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.037920 (E_RNA) where: Base-Base interactions energy: -17.685 where: short stacking energy: -17.685 Base-Backbone interact. energy: -0.051 local terms energy: -34.301671 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.208 flat angles P-C4'-P energy: -5.398 tors. eta vs tors. theta energy: -5.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -63.213528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.213528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.213528 (E_RNA) where: Base-Base interactions energy: -28.064 where: short stacking energy: -28.064 Base-Backbone interact. energy: -0.000 local terms energy: -35.149561 where: bonds (distance) C4'-P energy: -7.037 bonds (distance) P-C4' energy: -7.652 flat angles C4'-P-C4' energy: -7.970 flat angles P-C4'-P energy: -4.964 tors. eta vs tors. theta energy: -7.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -46.831267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.831267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.831267 (E_RNA) where: Base-Base interactions energy: -17.362 where: short stacking energy: -11.781 Base-Backbone interact. energy: -0.002 local terms energy: -29.466378 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -6.939 flat angles P-C4'-P energy: -5.251 tors. eta vs tors. theta energy: -2.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -42.927400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.927400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.927400 (E_RNA) where: Base-Base interactions energy: -15.309 where: short stacking energy: -15.309 Base-Backbone interact. energy: -0.000 local terms energy: -27.618429 where: bonds (distance) C4'-P energy: -6.140 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -7.269 flat angles P-C4'-P energy: -5.105 tors. eta vs tors. theta energy: -1.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -48.454908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.454908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.454908 (E_RNA) where: Base-Base interactions energy: -18.707 where: short stacking energy: -18.707 Base-Backbone interact. energy: -0.064 local terms energy: -29.684427 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.667 flat angles P-C4'-P energy: -2.681 tors. eta vs tors. theta energy: -4.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -46.955214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.955214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.955214 (E_RNA) where: Base-Base interactions energy: -17.720 where: short stacking energy: -17.132 Base-Backbone interact. energy: -0.108 local terms energy: -29.127538 where: bonds (distance) C4'-P energy: -4.416 bonds (distance) P-C4' energy: -8.002 flat angles C4'-P-C4' energy: -5.702 flat angles P-C4'-P energy: -5.085 tors. eta vs tors. theta energy: -5.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -44.874920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.874920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.874920 (E_RNA) where: Base-Base interactions energy: -16.054 where: short stacking energy: -15.240 Base-Backbone interact. energy: -0.019 local terms energy: -28.801815 where: bonds (distance) C4'-P energy: -5.738 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -7.964 flat angles P-C4'-P energy: -4.498 tors. eta vs tors. theta energy: -2.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -86.375203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.375203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.375203 (E_RNA) where: Base-Base interactions energy: -51.623 where: short stacking energy: -29.185 Base-Backbone interact. energy: -0.001 local terms energy: -34.751183 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -7.840 flat angles P-C4'-P energy: -6.170 tors. eta vs tors. theta energy: -6.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -70.517584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.517584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.517584 (E_RNA) where: Base-Base interactions energy: -36.528 where: short stacking energy: -22.947 Base-Backbone interact. energy: -0.053 local terms energy: -33.937251 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -6.614 flat angles P-C4'-P energy: -6.739 tors. eta vs tors. theta energy: -3.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -61.863958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.863958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.863958 (E_RNA) where: Base-Base interactions energy: -25.586 where: short stacking energy: -25.586 Base-Backbone interact. energy: -0.550 local terms energy: -35.728554 where: bonds (distance) C4'-P energy: -6.628 bonds (distance) P-C4' energy: -8.337 flat angles C4'-P-C4' energy: -8.131 flat angles P-C4'-P energy: -5.205 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: 4, replica: 10 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -54.338628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.338628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.338628 (E_RNA) where: Base-Base interactions energy: -21.990 where: short stacking energy: -21.990 Base-Backbone interact. energy: -0.002 local terms energy: -32.346213 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -8.046 flat angles P-C4'-P energy: -2.765 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: 5, replica: 2 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -57.004361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.004361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.004361 (E_RNA) where: Base-Base interactions energy: -23.858 where: short stacking energy: -23.858 Base-Backbone interact. energy: -0.000 local terms energy: -33.146123 where: bonds (distance) C4'-P energy: -3.436 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -8.059 flat angles P-C4'-P energy: -5.922 tors. eta vs tors. theta energy: -7.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -41.448394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.448394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.448394 (E_RNA) where: Base-Base interactions energy: -19.206 where: short stacking energy: -11.621 Base-Backbone interact. energy: 0.655 local terms energy: -22.897962 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -4.949 flat angles P-C4'-P energy: -3.922 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: 7, replica: 5 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -48.684167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.684167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.684167 (E_RNA) where: Base-Base interactions energy: -20.733 where: short stacking energy: -20.733 Base-Backbone interact. energy: -0.001 local terms energy: -27.950263 where: bonds (distance) C4'-P energy: -2.534 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.061 flat angles P-C4'-P energy: -4.807 tors. eta vs tors. theta energy: -4.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -48.756710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.756710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.756710 (E_RNA) where: Base-Base interactions energy: -19.822 where: short stacking energy: -19.822 Base-Backbone interact. energy: -0.000 local terms energy: -28.934561 where: bonds (distance) C4'-P energy: -6.086 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -5.559 flat angles P-C4'-P energy: -3.615 tors. eta vs tors. theta energy: -5.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -41.801781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.801781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.801781 (E_RNA) where: Base-Base interactions energy: -17.501 where: short stacking energy: -17.501 Base-Backbone interact. energy: -0.010 local terms energy: -24.290554 where: bonds (distance) C4'-P energy: 0.497 bonds (distance) P-C4' energy: -7.297 flat angles C4'-P-C4' energy: -4.175 flat angles P-C4'-P energy: -5.403 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: 10, replica: 7 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -44.566978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.566978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.566978 (E_RNA) where: Base-Base interactions energy: -21.194 where: short stacking energy: -13.929 Base-Backbone interact. energy: -0.004 local terms energy: -23.368815 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -4.122 flat angles C4'-P-C4' energy: -6.177 flat angles P-C4'-P energy: -4.703 tors. eta vs tors. theta energy: -1.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -74.904396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.904396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.904396 (E_RNA) where: Base-Base interactions energy: -39.731 where: short stacking energy: -28.051 Base-Backbone interact. energy: -0.018 local terms energy: -35.154714 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.600 flat angles P-C4'-P energy: -5.887 tors. eta vs tors. theta energy: -3.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -72.549997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.549997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.549997 (E_RNA) where: Base-Base interactions energy: -36.775 where: short stacking energy: -36.775 Base-Backbone interact. energy: -0.000 local terms energy: -35.775264 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -5.535 flat angles P-C4'-P energy: -5.246 tors. eta vs tors. theta energy: -9.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -70.276883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.276883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.276883 (E_RNA) where: Base-Base interactions energy: -32.924 where: short stacking energy: -32.746 Base-Backbone interact. energy: -0.000 local terms energy: -37.352853 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -7.871 flat angles P-C4'-P energy: -4.080 tors. eta vs tors. theta energy: -8.761 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: 2 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -58.261919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.261919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.261919 (E_RNA) where: Base-Base interactions energy: -23.437 where: short stacking energy: -23.437 Base-Backbone interact. energy: -0.000 local terms energy: -34.824690 where: bonds (distance) C4'-P energy: -7.646 bonds (distance) P-C4' energy: -7.414 flat angles C4'-P-C4' energy: -6.594 flat angles P-C4'-P energy: -5.338 tors. eta vs tors. theta energy: -7.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -45.118076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.118076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.118076 (E_RNA) where: Base-Base interactions energy: -15.701 where: short stacking energy: -15.701 Base-Backbone interact. energy: -0.056 local terms energy: -29.360584 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -8.039 flat angles P-C4'-P energy: -3.311 tors. eta vs tors. theta energy: -2.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -49.524905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.524905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.524905 (E_RNA) where: Base-Base interactions energy: -21.566 where: short stacking energy: -17.363 Base-Backbone interact. energy: -0.029 local terms energy: -27.929516 where: bonds (distance) C4'-P energy: -4.873 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.942 flat angles P-C4'-P energy: -5.055 tors. eta vs tors. theta energy: -1.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -47.723235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.723235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.723235 (E_RNA) where: Base-Base interactions energy: -19.040 where: short stacking energy: -19.040 Base-Backbone interact. energy: -0.159 local terms energy: -28.524023 where: bonds (distance) C4'-P energy: -7.695 bonds (distance) P-C4' energy: -6.267 flat angles C4'-P-C4' energy: -5.989 flat angles P-C4'-P energy: -4.312 tors. eta vs tors. theta energy: -4.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -45.125733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.125733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.125733 (E_RNA) where: Base-Base interactions energy: -13.850 where: short stacking energy: -13.850 Base-Backbone interact. energy: -0.415 local terms energy: -30.861092 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -7.992 flat angles C4'-P-C4' energy: -8.620 flat angles P-C4'-P energy: -5.936 tors. eta vs tors. theta energy: -0.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -54.107792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.107792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.107792 (E_RNA) where: Base-Base interactions energy: -26.627 where: short stacking energy: -26.627 Base-Backbone interact. energy: -0.000 local terms energy: -27.480886 where: bonds (distance) C4'-P energy: -4.401 bonds (distance) P-C4' energy: -8.256 flat angles C4'-P-C4' energy: -5.901 flat angles P-C4'-P energy: 1.058 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: 10, replica: 7 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -41.702639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.702639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.702639 (E_RNA) where: Base-Base interactions energy: -13.928 where: short stacking energy: -13.928 Base-Backbone interact. energy: -0.065 local terms energy: -27.710118 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -6.140 flat angles P-C4'-P energy: -3.045 tors. eta vs tors. theta energy: -1.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -70.937430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.937430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.937430 (E_RNA) where: Base-Base interactions energy: -38.119 where: short stacking energy: -27.978 Base-Backbone interact. energy: -0.057 local terms energy: -32.760530 where: bonds (distance) C4'-P energy: -5.246 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -6.398 flat angles P-C4'-P energy: -7.160 tors. eta vs tors. theta energy: -5.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -65.070627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.070627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.070627 (E_RNA) where: Base-Base interactions energy: -34.721 where: short stacking energy: -24.114 Base-Backbone interact. energy: -0.002 local terms energy: -30.346978 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -5.302 flat angles C4'-P-C4' energy: -7.585 flat angles P-C4'-P energy: -3.468 tors. eta vs tors. theta energy: -5.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -58.993627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.993627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.993627 (E_RNA) where: Base-Base interactions energy: -26.352 where: short stacking energy: -25.889 Base-Backbone interact. energy: -0.000 local terms energy: -32.641469 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -8.182 flat angles P-C4'-P energy: -3.751 tors. eta vs tors. theta energy: -5.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -63.584338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.584338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.584338 (E_RNA) where: Base-Base interactions energy: -29.036 where: short stacking energy: -29.036 Base-Backbone interact. energy: -0.000 local terms energy: -34.548658 where: bonds (distance) C4'-P energy: -6.450 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -4.385 flat angles P-C4'-P energy: -6.122 tors. eta vs tors. theta energy: -10.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -57.637296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.637296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.637296 (E_RNA) where: Base-Base interactions energy: -24.782 where: short stacking energy: -17.763 Base-Backbone interact. energy: -0.010 local terms energy: -32.845129 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -7.728 flat angles C4'-P-C4' energy: -7.663 flat angles P-C4'-P energy: -6.778 tors. eta vs tors. theta energy: -3.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -46.577601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.577601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.577601 (E_RNA) where: Base-Base interactions energy: -17.394 where: short stacking energy: -17.394 Base-Backbone interact. energy: -0.046 local terms energy: -29.137765 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -7.137 flat angles P-C4'-P energy: -5.200 tors. eta vs tors. theta energy: -3.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -50.872290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.872290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.872290 (E_RNA) where: Base-Base interactions energy: -19.998 where: short stacking energy: -19.998 Base-Backbone interact. energy: -0.032 local terms energy: -30.842042 where: bonds (distance) C4'-P energy: -5.436 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -8.013 flat angles P-C4'-P energy: -6.079 tors. eta vs tors. theta energy: -4.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -52.130021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.130021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.130021 (E_RNA) where: Base-Base interactions energy: -22.491 where: short stacking energy: -21.967 Base-Backbone interact. energy: -0.094 local terms energy: -29.545229 where: bonds (distance) C4'-P energy: -7.423 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -3.988 flat angles P-C4'-P energy: -3.679 tors. eta vs tors. theta energy: -5.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -44.182327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.182327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.182327 (E_RNA) where: Base-Base interactions energy: -15.872 where: short stacking energy: -9.674 Base-Backbone interact. energy: -0.001 local terms energy: -28.309492 where: bonds (distance) C4'-P energy: -4.239 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.465 flat angles P-C4'-P energy: -3.816 tors. eta vs tors. theta energy: -4.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -45.589609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.589609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.589609 (E_RNA) where: Base-Base interactions energy: -17.679 where: short stacking energy: -12.346 Base-Backbone interact. energy: -0.054 local terms energy: -27.856304 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.291 flat angles P-C4'-P energy: -6.732 tors. eta vs tors. theta energy: -0.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -82.330228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.330228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.330228 (E_RNA) where: Base-Base interactions energy: -47.302 where: short stacking energy: -31.149 Base-Backbone interact. energy: -0.000 local terms energy: -35.027369 where: bonds (distance) C4'-P energy: -4.540 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -8.807 flat angles P-C4'-P energy: -5.574 tors. eta vs tors. theta energy: -7.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -60.924214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.924214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.924214 (E_RNA) where: Base-Base interactions energy: -25.934 where: short stacking energy: -25.934 Base-Backbone interact. energy: -0.003 local terms energy: -34.987512 where: bonds (distance) C4'-P energy: -7.125 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -7.296 flat angles P-C4'-P energy: -3.700 tors. eta vs tors. theta energy: -7.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -56.457107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.457107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.457107 (E_RNA) where: Base-Base interactions energy: -21.198 where: short stacking energy: -17.233 Base-Backbone interact. energy: -0.014 local terms energy: -35.245249 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -9.111 flat angles P-C4'-P energy: -3.483 tors. eta vs tors. theta energy: -5.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -59.723385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.723385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.723385 (E_RNA) where: Base-Base interactions energy: -24.546 where: short stacking energy: -20.422 Base-Backbone interact. energy: -0.002 local terms energy: -35.176087 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -5.806 flat angles P-C4'-P energy: -5.251 tors. eta vs tors. theta energy: -8.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -47.476951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.476951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.476951 (E_RNA) where: Base-Base interactions energy: -19.347 where: short stacking energy: -15.331 Base-Backbone interact. energy: -0.087 local terms energy: -28.043132 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -6.720 flat angles P-C4'-P energy: -3.701 tors. eta vs tors. theta energy: -1.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -54.481469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.481469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.481469 (E_RNA) where: Base-Base interactions energy: -19.404 where: short stacking energy: -19.404 Base-Backbone interact. energy: -0.089 local terms energy: -34.989017 where: bonds (distance) C4'-P energy: -5.862 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -8.976 flat angles P-C4'-P energy: -6.140 tors. eta vs tors. theta energy: -5.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -48.212561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.212561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.212561 (E_RNA) where: Base-Base interactions energy: -23.184 where: short stacking energy: -18.741 Base-Backbone interact. energy: -0.003 local terms energy: -25.026024 where: bonds (distance) C4'-P energy: -5.555 bonds (distance) P-C4' energy: -5.733 flat angles C4'-P-C4' energy: -6.877 flat angles P-C4'-P energy: -3.950 tors. eta vs tors. theta energy: -2.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -50.179707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.179707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.179707 (E_RNA) where: Base-Base interactions energy: -24.432 where: short stacking energy: -14.821 Base-Backbone interact. energy: -0.010 local terms energy: -25.737917 where: bonds (distance) C4'-P energy: -7.041 bonds (distance) P-C4' energy: -7.337 flat angles C4'-P-C4' energy: -7.806 flat angles P-C4'-P energy: -5.403 tors. eta vs tors. theta energy: 1.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -43.255400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.255400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.255400 (E_RNA) where: Base-Base interactions energy: -15.545 where: short stacking energy: -15.545 Base-Backbone interact. energy: -0.170 local terms energy: -27.540341 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -2.912 flat angles P-C4'-P energy: -5.446 tors. eta vs tors. theta energy: -2.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -38.011839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.011839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.011839 (E_RNA) where: Base-Base interactions energy: -13.520 where: short stacking energy: -13.520 Base-Backbone interact. energy: -0.350 local terms energy: -24.141907 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -6.937 flat angles C4'-P-C4' energy: -6.382 flat angles P-C4'-P energy: -4.747 tors. eta vs tors. theta energy: 1.094 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: 4 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -82.953587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.953587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.953587 (E_RNA) where: Base-Base interactions energy: -44.815 where: short stacking energy: -29.583 Base-Backbone interact. energy: -0.001 local terms energy: -38.137835 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.626 flat angles P-C4'-P energy: -6.321 tors. eta vs tors. theta energy: -5.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -63.293043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.293043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.293043 (E_RNA) where: Base-Base interactions energy: -27.559 where: short stacking energy: -27.559 Base-Backbone interact. energy: -0.093 local terms energy: -35.641262 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -2.622 flat angles P-C4'-P energy: -5.806 tors. eta vs tors. theta energy: -10.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -60.543843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.543843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.543843 (E_RNA) where: Base-Base interactions energy: -26.853 where: short stacking energy: -16.214 Base-Backbone interact. energy: -1.062 local terms energy: -32.628402 where: bonds (distance) C4'-P energy: -5.857 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.842 flat angles P-C4'-P energy: -4.149 tors. eta vs tors. theta energy: -5.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -58.484638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.484638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.484638 (E_RNA) where: Base-Base interactions energy: -21.939 where: short stacking energy: -21.939 Base-Backbone interact. energy: -0.000 local terms energy: -36.545830 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -7.735 flat angles C4'-P-C4' energy: -7.467 flat angles P-C4'-P energy: -5.918 tors. eta vs tors. theta energy: -8.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -60.981798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.981798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.981798 (E_RNA) where: Base-Base interactions energy: -30.988 where: short stacking energy: -21.807 Base-Backbone interact. energy: -0.078 local terms energy: -29.915771 where: bonds (distance) C4'-P energy: -5.804 bonds (distance) P-C4' energy: -6.284 flat angles C4'-P-C4' energy: -8.039 flat angles P-C4'-P energy: -5.828 tors. eta vs tors. theta energy: -3.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -60.266188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.266188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.266188 (E_RNA) where: Base-Base interactions energy: -30.742 where: short stacking energy: -21.068 Base-Backbone interact. energy: 0.404 local terms energy: -29.928103 where: bonds (distance) C4'-P energy: -6.379 bonds (distance) P-C4' energy: -9.563 flat angles C4'-P-C4' energy: -4.903 flat angles P-C4'-P energy: -6.011 tors. eta vs tors. theta energy: -3.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -46.979438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.979438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.979438 (E_RNA) where: Base-Base interactions energy: -19.506 where: short stacking energy: -13.070 Base-Backbone interact. energy: -0.280 local terms energy: -27.193395 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -6.193 flat angles C4'-P-C4' energy: -7.480 flat angles P-C4'-P energy: -4.559 tors. eta vs tors. theta energy: -1.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -38.492116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.492116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.492116 (E_RNA) where: Base-Base interactions energy: -16.701 where: short stacking energy: -12.902 Base-Backbone interact. energy: -0.002 local terms energy: -21.789709 where: bonds (distance) C4'-P energy: -6.661 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -5.670 flat angles P-C4'-P energy: -1.283 tors. eta vs tors. theta energy: 0.933 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: 9, replica: 9 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -42.106921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.106921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.106921 (E_RNA) where: Base-Base interactions energy: -19.133 where: short stacking energy: -10.731 Base-Backbone interact. energy: -0.008 local terms energy: -22.965948 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -9.306 flat angles C4'-P-C4' energy: -3.331 flat angles P-C4'-P energy: -2.643 tors. eta vs tors. theta energy: -2.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -46.108815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.108815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.108815 (E_RNA) where: Base-Base interactions energy: -20.276 where: short stacking energy: -16.553 Base-Backbone interact. energy: -0.024 local terms energy: -25.807849 where: bonds (distance) C4'-P energy: -4.569 bonds (distance) P-C4' energy: -8.451 flat angles C4'-P-C4' energy: -6.574 flat angles P-C4'-P energy: -6.261 tors. eta vs tors. theta energy: 0.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -75.473675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.473675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.473675 (E_RNA) where: Base-Base interactions energy: -39.150 where: short stacking energy: -21.230 Base-Backbone interact. energy: -0.000 local terms energy: -36.323446 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -7.214 flat angles C4'-P-C4' energy: -7.089 flat angles P-C4'-P energy: -7.001 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: 2, replica: 6 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -64.136122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.136122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.136122 (E_RNA) where: Base-Base interactions energy: -33.572 where: short stacking energy: -24.705 Base-Backbone interact. energy: -0.001 local terms energy: -30.563061 where: bonds (distance) C4'-P energy: -7.045 bonds (distance) P-C4' energy: -5.517 flat angles C4'-P-C4' energy: -9.268 flat angles P-C4'-P energy: -4.554 tors. eta vs tors. theta energy: -4.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -62.959279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.959279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.959279 (E_RNA) where: Base-Base interactions energy: -31.134 where: short stacking energy: -17.468 Base-Backbone interact. energy: -0.009 local terms energy: -31.816611 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -8.287 flat angles C4'-P-C4' energy: -6.576 flat angles P-C4'-P energy: -1.484 tors. eta vs tors. theta energy: -6.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -51.839225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.839225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.839225 (E_RNA) where: Base-Base interactions energy: -23.575 where: short stacking energy: -23.575 Base-Backbone interact. energy: -0.100 local terms energy: -28.163847 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -2.984 flat angles P-C4'-P energy: -7.256 tors. eta vs tors. theta energy: -3.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -51.221736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.221736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.221736 (E_RNA) where: Base-Base interactions energy: -21.482 where: short stacking energy: -17.906 Base-Backbone interact. energy: -0.675 local terms energy: -29.065279 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -4.424 flat angles P-C4'-P energy: -3.541 tors. eta vs tors. theta energy: -5.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -54.696896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.696896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.696896 (E_RNA) where: Base-Base interactions energy: -19.798 where: short stacking energy: -19.252 Base-Backbone interact. energy: -0.000 local terms energy: -34.898270 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -7.539 flat angles P-C4'-P energy: -6.154 tors. eta vs tors. theta energy: -4.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -53.812629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.812629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.812629 (E_RNA) where: Base-Base interactions energy: -22.175 where: short stacking energy: -22.175 Base-Backbone interact. energy: -0.000 local terms energy: -31.637862 where: bonds (distance) C4'-P energy: -6.069 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -8.654 flat angles P-C4'-P energy: -5.049 tors. eta vs tors. theta energy: -3.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -44.726393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.726393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.726393 (E_RNA) where: Base-Base interactions energy: -12.591 where: short stacking energy: -12.591 Base-Backbone interact. energy: -0.001 local terms energy: -32.134967 where: bonds (distance) C4'-P energy: -8.056 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.475 flat angles P-C4'-P energy: -3.244 tors. eta vs tors. theta energy: -4.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -38.499682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.499682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.499682 (E_RNA) where: Base-Base interactions energy: -10.493 where: short stacking energy: -10.493 Base-Backbone interact. energy: -0.034 local terms energy: -27.972724 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -6.371 flat angles P-C4'-P energy: -5.820 tors. eta vs tors. theta energy: 0.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -46.364550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.364550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.364550 (E_RNA) where: Base-Base interactions energy: -20.549 where: short stacking energy: -20.549 Base-Backbone interact. energy: -0.074 local terms energy: -25.742051 where: bonds (distance) C4'-P energy: -5.046 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -8.796 flat angles P-C4'-P energy: -0.934 tors. eta vs tors. theta energy: -1.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -69.835475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.835475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.835475 (E_RNA) where: Base-Base interactions energy: -37.412 where: short stacking energy: -25.686 Base-Backbone interact. energy: -0.014 local terms energy: -32.410051 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -7.494 flat angles P-C4'-P energy: -4.475 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: 2, replica: 4 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -63.742029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.742029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.742029 (E_RNA) where: Base-Base interactions energy: -29.757 where: short stacking energy: -18.900 Base-Backbone interact. energy: -0.000 local terms energy: -33.985250 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -7.411 flat angles P-C4'-P energy: -4.648 tors. eta vs tors. theta energy: -6.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -69.740246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.740246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.740246 (E_RNA) where: Base-Base interactions energy: -36.031 where: short stacking energy: -20.405 Base-Backbone interact. energy: -0.001 local terms energy: -33.707995 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -6.694 flat angles P-C4'-P energy: -5.042 tors. eta vs tors. theta energy: -6.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -67.415703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.415703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.415703 (E_RNA) where: Base-Base interactions energy: -27.684 where: short stacking energy: -27.684 Base-Backbone interact. energy: -0.000 local terms energy: -39.731536 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.815 flat angles P-C4'-P energy: -4.168 tors. eta vs tors. theta energy: -9.653 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: 3 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -51.393949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.393949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.393949 (E_RNA) where: Base-Base interactions energy: -19.600 where: short stacking energy: -19.600 Base-Backbone interact. energy: -0.001 local terms energy: -31.793667 where: bonds (distance) C4'-P energy: -7.414 bonds (distance) P-C4' energy: -6.740 flat angles C4'-P-C4' energy: -8.610 flat angles P-C4'-P energy: -3.960 tors. eta vs tors. theta energy: -5.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -47.574581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.574581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.574581 (E_RNA) where: Base-Base interactions energy: -16.735 where: short stacking energy: -16.735 Base-Backbone interact. energy: -0.014 local terms energy: -30.825490 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -7.027 flat angles P-C4'-P energy: -4.508 tors. eta vs tors. theta energy: -4.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -51.537880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.537880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.537880 (E_RNA) where: Base-Base interactions energy: -18.104 where: short stacking energy: -18.104 Base-Backbone interact. energy: -0.031 local terms energy: -33.403003 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -5.982 flat angles P-C4'-P energy: -4.758 tors. eta vs tors. theta energy: -5.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -49.625463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.625463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.625463 (E_RNA) where: Base-Base interactions energy: -18.516 where: short stacking energy: -18.516 Base-Backbone interact. energy: -0.610 local terms energy: -30.499781 where: bonds (distance) C4'-P energy: -4.989 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -8.044 flat angles P-C4'-P energy: -6.867 tors. eta vs tors. theta energy: -2.429 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: 8 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -42.405146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.405146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.405146 (E_RNA) where: Base-Base interactions energy: -15.374 where: short stacking energy: -9.925 Base-Backbone interact. energy: -1.360 local terms energy: -25.670975 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -6.916 flat angles P-C4'-P energy: -4.448 tors. eta vs tors. theta energy: -0.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -40.118590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.118590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.118590 (E_RNA) where: Base-Base interactions energy: -15.607 where: short stacking energy: -15.607 Base-Backbone interact. energy: -0.500 local terms energy: -24.011465 where: bonds (distance) C4'-P energy: -5.564 bonds (distance) P-C4' energy: -4.361 flat angles C4'-P-C4' energy: -8.903 flat angles P-C4'-P energy: -5.519 tors. eta vs tors. theta energy: 0.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) out arg RESULTS//1/RNA-BYH-b1277d89_01 DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 6 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -68.814909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.814909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.814909 (E_RNA) where: Base-Base interactions energy: -33.820 where: short stacking energy: -22.059 Base-Backbone interact. energy: -0.015 local terms energy: -34.980462 where: bonds (distance) C4'-P energy: -7.275 bonds (distance) P-C4' energy: -7.549 flat angles C4'-P-C4' energy: -8.992 flat angles P-C4'-P energy: -5.819 tors. eta vs tors. theta energy: -5.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -75.216250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.216250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.216250 (E_RNA) where: Base-Base interactions energy: -38.658 where: short stacking energy: -27.134 Base-Backbone interact. energy: -0.063 local terms energy: -36.495912 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.439 flat angles P-C4'-P energy: -4.160 tors. eta vs tors. theta energy: -8.793 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: 4 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -63.273174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.273174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.273174 (E_RNA) where: Base-Base interactions energy: -29.215 where: short stacking energy: -27.962 Base-Backbone interact. energy: -0.048 local terms energy: -34.010039 where: bonds (distance) C4'-P energy: -7.080 bonds (distance) P-C4' energy: -8.780 flat angles C4'-P-C4' energy: -5.594 flat angles P-C4'-P energy: -4.862 tors. eta vs tors. theta energy: -7.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -58.654825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.654825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.654825 (E_RNA) where: Base-Base interactions energy: -28.784 where: short stacking energy: -19.389 Base-Backbone interact. energy: -0.038 local terms energy: -29.832692 where: bonds (distance) C4'-P energy: -6.528 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.272 flat angles P-C4'-P energy: -5.233 tors. eta vs tors. theta energy: -0.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -49.764129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.764129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.764129 (E_RNA) where: Base-Base interactions energy: -19.771 where: short stacking energy: -15.306 Base-Backbone interact. energy: -0.008 local terms energy: -29.985242 where: bonds (distance) C4'-P energy: -6.575 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.815 flat angles P-C4'-P energy: -5.756 tors. eta vs tors. theta energy: -0.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -46.749434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.749434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.749434 (E_RNA) where: Base-Base interactions energy: -15.838 where: short stacking energy: -15.838 Base-Backbone interact. energy: -0.003 local terms energy: -30.909052 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -5.020 flat angles C4'-P-C4' energy: -6.461 flat angles P-C4'-P energy: -6.833 tors. eta vs tors. theta energy: -3.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -47.735070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.735070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.735070 (E_RNA) where: Base-Base interactions energy: -14.146 where: short stacking energy: -14.146 Base-Backbone interact. energy: -0.000 local terms energy: -33.589053 where: bonds (distance) C4'-P energy: -2.904 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.802 flat angles P-C4'-P energy: -7.143 tors. eta vs tors. theta energy: -5.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -44.226816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.226816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.226816 (E_RNA) where: Base-Base interactions energy: -15.396 where: short stacking energy: -15.396 Base-Backbone interact. energy: -0.117 local terms energy: -28.713653 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -4.803 flat angles P-C4'-P energy: -6.112 tors. eta vs tors. theta energy: -2.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -44.326650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.326650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.326650 (E_RNA) where: Base-Base interactions energy: -15.875 where: short stacking energy: -14.178 Base-Backbone interact. energy: -0.004 local terms energy: -28.447118 where: bonds (distance) C4'-P energy: -4.732 bonds (distance) P-C4' energy: -7.037 flat angles C4'-P-C4' energy: -5.716 flat angles P-C4'-P energy: -5.697 tors. eta vs tors. theta energy: -5.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -43.387180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.387180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.387180 (E_RNA) where: Base-Base interactions energy: -19.684 where: short stacking energy: -19.506 Base-Backbone interact. energy: -0.003 local terms energy: -23.700289 where: bonds (distance) C4'-P energy: -6.400 bonds (distance) P-C4' energy: -5.758 flat angles C4'-P-C4' energy: -6.143 flat angles P-C4'-P energy: -4.456 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 6 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -75.964002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.964002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.964002 (E_RNA) where: Base-Base interactions energy: -42.125 where: short stacking energy: -22.521 Base-Backbone interact. energy: -0.589 local terms energy: -33.249709 where: bonds (distance) C4'-P energy: -8.466 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -7.389 flat angles P-C4'-P energy: -5.826 tors. eta vs tors. theta energy: -3.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -55.742321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.742321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.742321 (E_RNA) where: Base-Base interactions energy: -26.955 where: short stacking energy: -26.955 Base-Backbone interact. energy: -0.000 local terms energy: -28.786988 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -6.484 flat angles P-C4'-P energy: -4.958 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: 3, replica: 4 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -55.021187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.021187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.021187 (E_RNA) where: Base-Base interactions energy: -28.164 where: short stacking energy: -21.378 Base-Backbone interact. energy: -0.291 local terms energy: -26.566204 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -7.367 flat angles C4'-P-C4' energy: -4.878 flat angles P-C4'-P energy: -2.765 tors. eta vs tors. theta energy: -3.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -59.041184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.041184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.041184 (E_RNA) where: Base-Base interactions energy: -21.346 where: short stacking energy: -18.845 Base-Backbone interact. energy: -0.001 local terms energy: -37.694700 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -8.364 flat angles C4'-P-C4' energy: -6.640 flat angles P-C4'-P energy: -7.411 tors. eta vs tors. theta energy: -6.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -56.614527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.614527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.614527 (E_RNA) where: Base-Base interactions energy: -21.693 where: short stacking energy: -21.693 Base-Backbone interact. energy: -0.091 local terms energy: -34.830611 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -8.418 flat angles P-C4'-P energy: -4.510 tors. eta vs tors. theta energy: -7.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -48.874967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.874967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.874967 (E_RNA) where: Base-Base interactions energy: -21.399 where: short stacking energy: -15.471 Base-Backbone interact. energy: -0.056 local terms energy: -27.420565 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -6.440 flat angles P-C4'-P energy: -2.705 tors. eta vs tors. theta energy: -4.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -52.043226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.043226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.043226 (E_RNA) where: Base-Base interactions energy: -18.305 where: short stacking energy: -18.305 Base-Backbone interact. energy: -0.003 local terms energy: -33.735422 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -7.770 flat angles P-C4'-P energy: -2.796 tors. eta vs tors. theta energy: -7.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -46.695523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.695523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.695523 (E_RNA) where: Base-Base interactions energy: -17.143 where: short stacking energy: -17.143 Base-Backbone interact. energy: -0.000 local terms energy: -29.552089 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.740 flat angles P-C4'-P energy: -3.963 tors. eta vs tors. theta energy: -2.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -57.117781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.117781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.117781 (E_RNA) where: Base-Base interactions energy: -27.093 where: short stacking energy: -27.093 Base-Backbone interact. energy: -0.000 local terms energy: -30.024060 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -3.625 flat angles C4'-P-C4' energy: -5.987 flat angles P-C4'-P energy: -5.123 tors. eta vs tors. theta energy: -8.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -43.846221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.846221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.846221 (E_RNA) where: Base-Base interactions energy: -21.321 where: short stacking energy: -11.930 Base-Backbone interact. energy: 0.081 local terms energy: -22.605831 where: bonds (distance) C4'-P energy: -7.099 bonds (distance) P-C4' energy: -4.407 flat angles C4'-P-C4' energy: -6.420 flat angles P-C4'-P energy: -3.555 tors. eta vs tors. theta energy: -1.125 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 6 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -79.999367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.999367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.999367 (E_RNA) where: Base-Base interactions energy: -39.396 where: short stacking energy: -29.630 Base-Backbone interact. energy: -0.219 local terms energy: -40.383618 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.246 flat angles P-C4'-P energy: -4.909 tors. eta vs tors. theta energy: -10.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -64.413733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.413733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.413733 (E_RNA) where: Base-Base interactions energy: -28.075 where: short stacking energy: -28.075 Base-Backbone interact. energy: -0.000 local terms energy: -36.338437 where: bonds (distance) C4'-P energy: -6.342 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -8.763 flat angles P-C4'-P energy: -3.444 tors. eta vs tors. theta energy: -8.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -55.975331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.975331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.975331 (E_RNA) where: Base-Base interactions energy: -23.146 where: short stacking energy: -23.146 Base-Backbone interact. energy: -0.060 local terms energy: -32.768963 where: bonds (distance) C4'-P energy: -6.378 bonds (distance) P-C4' energy: -6.579 flat angles C4'-P-C4' energy: -8.120 flat angles P-C4'-P energy: -6.633 tors. eta vs tors. theta energy: -5.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -53.333302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.333302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.333302 (E_RNA) where: Base-Base interactions energy: -20.893 where: short stacking energy: -20.893 Base-Backbone interact. energy: -0.089 local terms energy: -32.351336 where: bonds (distance) C4'-P energy: -6.015 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -7.785 flat angles P-C4'-P energy: -4.164 tors. eta vs tors. theta energy: -5.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -54.666281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.666281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.666281 (E_RNA) where: Base-Base interactions energy: -25.302 where: short stacking energy: -13.910 Base-Backbone interact. energy: -0.039 local terms energy: -29.325952 where: bonds (distance) C4'-P energy: -5.679 bonds (distance) P-C4' energy: -6.582 flat angles C4'-P-C4' energy: -7.681 flat angles P-C4'-P energy: -3.784 tors. eta vs tors. theta energy: -5.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -58.209523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.209523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.209523 (E_RNA) where: Base-Base interactions energy: -22.113 where: short stacking energy: -22.113 Base-Backbone interact. energy: -0.001 local terms energy: -36.095926 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -5.773 flat angles P-C4'-P energy: -6.743 tors. eta vs tors. theta energy: -7.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -48.826832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.826832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.826832 (E_RNA) where: Base-Base interactions energy: -17.363 where: short stacking energy: -14.911 Base-Backbone interact. energy: -0.000 local terms energy: -31.463990 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -5.542 flat angles C4'-P-C4' energy: -6.313 flat angles P-C4'-P energy: -5.714 tors. eta vs tors. theta energy: -6.140 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: 10 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -42.092245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.092245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.092245 (E_RNA) where: Base-Base interactions energy: -13.466 where: short stacking energy: -12.194 Base-Backbone interact. energy: -0.149 local terms energy: -28.477387 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.850 flat angles P-C4'-P energy: -3.007 tors. eta vs tors. theta energy: -1.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -42.992136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.992136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.992136 (E_RNA) where: Base-Base interactions energy: -15.431 where: short stacking energy: -15.431 Base-Backbone interact. energy: -0.016 local terms energy: -27.545446 where: bonds (distance) C4'-P energy: -7.398 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -2.531 flat angles P-C4'-P energy: -4.556 tors. eta vs tors. theta energy: -5.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -40.974907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.974907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.974907 (E_RNA) where: Base-Base interactions energy: -16.952 where: short stacking energy: -15.843 Base-Backbone interact. energy: 0.759 local terms energy: -24.782208 where: bonds (distance) C4'-P energy: -5.759 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.246 flat angles P-C4'-P energy: -1.973 tors. eta vs tors. theta energy: -0.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) replica 6 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 11806637 moves confirmed later: 14640412 all moves confirmed: 26447049 percent of confirmed moves: 3.305881 current total energy: -68.859290 recalc. total energy: -68.859290 replica 4 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 11847294 moves confirmed later: 14681371 all moves confirmed: 26528665 percent of confirmed moves: 3.316083 current total energy: -49.310424 recalc. total energy: -49.310424 replica 9 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 12099531 moves confirmed later: 15084153 all moves confirmed: 27183684 percent of confirmed moves: 3.397960 current total energy: -25.416657 recalc. total energy: -25.416657 replica 2 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 11997186 moves confirmed later: 14927929 all moves confirmed: 26925115 percent of confirmed moves: 3.365639 current total energy: -42.087150 recalc. total energy: -42.087150 replica 7 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 12126625 moves confirmed later: 15138100 all moves confirmed: 27264725 percent of confirmed moves: 3.408091 current total energy: -16.524271 recalc. total energy: -16.524271 replica 3 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 11664640 moves confirmed later: 14397150 all moves confirmed: 26061790 percent of confirmed moves: 3.257724 current total energy: -18.296524 recalc. total energy: -18.296524 replica 10 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 11678051 moves confirmed later: 14441566 all moves confirmed: 26119617 percent of confirmed moves: 3.264952 current total energy: -15.970179 recalc. total energy: -15.970179 replica 1 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 11790659 moves confirmed later: 14586884 all moves confirmed: 26377543 percent of confirmed moves: 3.297193 current total energy: -11.934537 recalc. total energy: -11.934537 replica 8 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 11986424 moves confirmed later: 14909973 all moves confirmed: 26896397 percent of confirmed moves: 3.362050 current total energy: -16.101327 recalc. total energy: -16.101327 replica 5 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 11245592 moves confirmed later: 13761475 all moves confirmed: 25007067 percent of confirmed moves: 3.125883 current total energy: -16.655401 recalc. total energy: -16.655401 Time of doing 8000000 iterations: 559.154 seconds